//mo.js updated by BH Mar 29 2005
















































mo("AGDUSB~1",-2,"M,Ag;C2062;2066","C1756","P.Guionneau,J.Gaultier,M.Rahal,G.Bravic,J.M.Mellado,D.Chasseau,L.Ducasse,M.Kurmoo,P.Day,'J.Mater.Chem. ',5,1639,1995","x","DUSBEY08","Ag(CN)21-;dicyano-silver(I) anion")
mo("AGPEDVID",-4,"M,Ag;Cl2446;2447","Cl1200","G.Helgesson,S.Jagner,'J.Chem.Soc.,Dalton Trans. ',,1069,1993","x","PEDVID","AgCl32-;trichloro-silver(I) anion")
mo("AGPEDVOJ",-4,"M,Ag;Br2550;2551","Br1200","G.Helgesson,S.Jagner,'J.Chem.Soc.,Dalton Trans. ',,1069,1993","x","PEDVOJ","AgBr32-;tribromo-silver(I) anion")
mo("AGQUPXOO",-4,"M,Ag;S2471;2481;2489","S1158;1218;1224","K.Fujisawa,S.Imai,S.Suzuki,Y.Moro-oka,Y.Miyashita,Y.Yamada,K.Okamoto,'J.Inorg.Biochem. ',82,229,2000","x","QUPXOO","Ag(C6H4BrS)32-;tris(4-bromophenylthiolato)-silver(I) anion")
mo("AGRATFAT",-4,"M,Ag;N2205;2214;P2376","N1107;NP1240;1252","G.A.Ardizzoia,G.La Monica,A.Maspero,M.Moret,N.Masciocchi,'Inorg.Chem. ',36,2321,1997","x","RATFAT","[(C6H5)3PAg(C3H3N2)]2;bis((/m~2~-pyrazole)-triphenylphosphine-silver(I))")
mo("AGKEWFOH",-4,"M,Ag;Cl2359;2446;2810","Cl920;1189;1491","G.Helgesson,S.Jagner,'J.Chem.Soc.,Dalton Trans. ',,2413,1990","x","KEWFOH","[AgCl2]22-;bis(/m~2~-chloro)-dichloro-di-silver(I) anion")
mo("AGCADXOU",-6,"M,Ag;O2458","O815","H.W.Roesky,E.Peymann,J.Schimkowiak,M.Noltemeyer,W.Pinkert,G.M.Sheldrick,'Chem.Commun. ',,981,1983","x","CADXOU","(C6H12O6)Ag22+;(12-crown-6)-di-silver cation")
mo("AGOFOYAJ",-8,"M,Ag;P2638;2651;2661","P1082;1091;1095;1100;1105","L.L.Romualdo,K.E.Bessler,V.M.Deflon,E.Niquet,'Z.Anorg.Allg.Chem. ',628,1098,2002","x","OFOYAJ","[(C6H5)3P]4Ag1+;tetrakis(triphenylphosphine)-silver(I) cation")
mo("AGBEVMAQ",-8,"M,Ag;I2828;2918","I961;1105;1117;1131","H.J.Keller,B.Keppler,H.Pritzkow,'Acta Crystallogr.,Sect.B:Struct.Crystallogr.Cryst.Chem. ',38,1603,1982","x","BEVMAQ","[AgI3]24-;bis(/m~2~-iodo)-bis(di-iodo-silver(I)) anion")
mo("AGJIRYIS",-8,"M,Ag;Br2696;2722;2750;2799","Br945;969;1142;1151;1184;1194","G.Helgesson,S.Jagner,'Inorg.Chem. ',30,2574,1991","x","JIRYIS","[AgBr2]44-;hexakis(/m~2~-bromo)-dibromo-tetra-silver(I) anion")
mo("AGKEWFAT",-8,"M,Ag;I2846;2847;2897;2973","I1038;1090;1092;1102;1111;1135","G.Helgesson,S.Jagner,'J.Chem.Soc.,Dalton Trans. ',,2413,1990","x","KEWFAT","[AgI2]44-;hexakis(/m~2~-iodo)-di-iodo-tetra-silver(I) anion")
mo("AGBADT~1",-8,"M,Ag;N2322","N1081;1123","K.Nilsson,A.Oskarsson,'Acta Chem.Scand.A ',36,605,1982","x","BADTEF10","(C5H5N)4Ag1+;tetrakis(Pyridine)-silver(I) perchlorate")
mo("AGFITL~1",-8,"M,Ag;I2858;P2543;2573;2781","IP1040;1070;1090;P1070;1121;1169","L.M.Engelhardt,P.C.Healy,V.A.Patrick,A.H.White,'Aust.J.Chem. ',40,1873,1987","x","FITLAV01","[(C6H5)3P]3AgI;iodo-tris(triphenylphosphine)-silver(I)")
mo("AGIGULOL",-8,"M,Ag;N2313;2325;2342;2360","N721;722;1100;1131;1488;1669","M.Leschke,G.Rheinwald,H.Lang,'Z.Anorg.Allg.Chem. ',628,2470,2002","x","IGULOL","(C12H8N2)2Ag1+;bis(1,10-Phenanthroline)-silver(I) cation")
mo("AGCARQOB",-8,"M,Ag;I2729;2898;2938;2949","I1001;1004;1058;1127;1165;1187","Yingjun Zhao,Weiping Su,Rong Cao,Maochun Hong,'Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. ',55,9900122,1999","x","CARQOB","Ag6I115-;hexakis(Tetraethylammonium) tris(/m~4~-iodo)-bis(/m~3~-iodo)-hexaiodo-hexa-silver(I) iodide")
mo("AGTUKZUU",-9,"M,Ag;C2097;2112;2118;2128","C880;884;909;932;1739;1743","R.Eujen,B.Hoge,D.J.Brauer,'Inorg.Chem. ',36,1464,1997","x","TUKZUU","Ag(CH3)(CF3)31-;tris(trifluoromethyl)-methyl-silver(III) anion")
mo("AGKOFCAJ",-9,"M,Ag;N2194;2196","N858;942;1800","H.N.Po,E.Brinkman,R.J.Doedens,'Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. ',47,2310,1991","x","KOFCAJ","C14H32Ag1N42+,2(Cl1O41-);(1,4,8,11-Tetramethyl-1,4,8,11-tetra-azacyclotetradecane)-silver(II) diperchlorate")
mo("AGZIFBOF",-16,"M,Ag;S2726;2801","S784;803;997;1016;1800","A.J.Blake,R.O.Gould,S.Parsons,C.Radek,M.Schroder,'Angew.Chem.,Int.Ed.Engl. ',34,2374,1995","x","ZIFBOF","(C12H24S6)Ag1+;(hexathia-18-crown-6)-silver cation")
mo("AGEHAKUT",-15,"M,Ag;O2218;S2623;2635;2637;2976","OS989;1174;1227;1243;S721;798;818;825;1147;1384","T.Tsuchiya,T.Shimizu,K.Hirabayashi,N.Kamigata,'J.Org.Chem. ',67,6632,2002","x","EHAKUT","(C12H24S6)[Ag(CF3CO2)]2;(/m~2~-tetrathia18-crown-6)-bis(trifluoroacetato)-di-silver(I)")
mo("AGLUZKOG",-25,"M,Ag;O2352;2604;2614;2678;2721;2758;2780","O601;608;612;632;633;642;804;875;878;993;1070;1092;1143;1145;1151;1209;1221;1245;1511;1638;1734","J.W.Steed,K.Johnson,C.Legido,P.C.Junk,'Polyhedron ',22,769,2003","x","LUZKOG","(C12H24O6)Ag(CF3SO3);(18-crown-6)-(trifluoromethanesulfonato)-silver(I)")
mo("ALLUMGAB",-4,"M,Al;C1982;1983;1987","C1178;1205;1217","J.K.Vohs,L.E.Downs,J.Stasalovich,M.Barfield,G.H.Robinson,'J.Cluster Sci. ',13,601,2002","x","LUMGAB","Al(C11H15)3;tris(pentamethylphenyl)-aluminium")
mo("ALGIWWEO",-8,"M,Al;Cl2122;2124;2127","Cl1088;1090;1094;1095;1098;1103",".PRGIWWEO","x","GIWWEO","Al1Cl41-;tetrachloroaluminate anion")
mo("ALCASN~1",-8,"M,Al;N1800;1805;1951;1978","N882;1111;1125;1135;1137;1149","K.M.Waggoner,M.M.Olmstead,P.P.Power,'Polyhedron ',9,257,1990","x","CASNOZ01","[Al(CH3NCH3)3]2;bis((/m~2~-dimethylamino)-bis(dimethylamino)-aluminium)")
mo("ALCASNEP",-8,"M,Al;H1491;1493;N1946;1951","H1135;HN1077;1082;1085;1106;N1082","K.Ouzounis,H.Riffel,H.Hess,U.Kohler,J.Weidlein,'Z.Anorg.Allg.Chem. ',504,67,1983","x","CASNEP","[Al(CH3NCH3)H2]3;cyclo-tris(dimethylamino-aluminium)")
mo("ALCUVMAH",-8,"M,Al;C1991;2023","C1067;1124;1177","J.H.Medley,F.R.Fronczek,N.Ahmad,M.C.Day,R.D.Rogers,C.R.Kerr,J.L.Atwood,'J.Crystallogr.Spectrosc.Res. ',15,99,1985","x","CUVMAH","(CH3)4Al1-,Na11+;tetramethyl-aluminium anion with sodium cation")
mo("ALEFOYIH",-8,"M,Al;H1488;N1886;1893;1974","HN1138;1183;1211;N910;913;1152","N.D.Reddy,H.W.Roesky,M.Noltemeyer,H.-G.Schmidt,'Inorg.Chem. ',41,2374,2002","x","EFOYIH","[Al(NCH2C6H5)H]6;hexakis((/m~3~-benzylimido)-hydrido-aluminium)")
mo("ALHAGJII",-8,"M,Al;C2016;2020;N2030;O1711","C1170;CN1033;1046;CO1135;1144;NO1016","M.R.Mason,J.M.Smith,S.G.Bott,A.R.Barron,'J.Am.Chem.Soc. ',115,4971,1993","x","HAGJII","[(C5H5N)Al(C4H9)2]2O;(/m~2~-oxo)-bis(di-t-butyl-pyridyl-aluminium)")
mo("ALLIAL~1",-8,"M,Al;C2016","C1082;1121","A.I.Sizov,T.M.Zvukova,B.M.Bulychev,V.K.Belsky,'J.Organomet.Chem. ',603,167,2000","x","LIALET01","Li1+ Al(CH2CH3)41-;tetraethyl-aluminium anion with lithium cation")
mo("ALQAGNAO",-8,"M,Al;H1745;1751;N1941;1945","H1121;HN1092;1106;1145;1187;N895","C.Y.Tang,A.J.Downs,T.M.Greene,S.Parsons,'Dalton Trans. ',,540,2003","x","QAGNAO","[Al(NC5H10)H2]2;bis(/m~2~-piperidino)-tetrahydrido-dialuminium")
mo("ALKUYMUM",-13,"M,Al;H1501;1507;O2063;2070","H1179;1240;HO879;891;903;948;O1761","I.B.Gorrell,P.B.Hitchcock,J.D.Smith,'Chem.Commun. ',,189,1993","x","KUYMUM","(C4H8O)2AlH3;trihydrido-bis(tetrahydrofuran)-aluminium")
mo("F-ALF6",-16,",Al;F181","90;180","Z.Krist.,99,27,1938","x","","AlF63-;aluminum hexafluoride anion")
mo("ALCAQDON",-16,"M,Al;O1898;1899;1915;1916","O841;881;882;914;971;1704;1705","V.B.Di Marco,G.G.Bombi,A.Tapparo,A.K.Powell,C.E.Anson,'J.Chem.Soc.,Dalton Trans. ',,2427,1999","x","CAQDON","Al(O2NC5H3)3;tris(3-hydroxy-2(1H)-pyridonato)-aluminium(III)")
mo("ALNOJHUP",-15,"M,Al;C1959;N1997;1999;2002","CN1042;1054;1064;1065;N794;795;921;923;1481;1494","R.Guilard,V.Pichon-Pesme,H.Lachekar,C.Lecomte,A.M.Aukauloo,P.L.Boulas,K.M.Kadish,'J.Porph.Phth. ',1,109,1997","x","NOJHUP","Al(C33H39N4)(CH3);methyl-3,8,13,18-tetraethyl-2,9,12,19-tetramethyl-etioporphycene-aluminium(III)")
mo("ALRIVPAN",-43,"M,Al;C2042;2055;2179;2257;2266;2406;2410;H2444;2460","C339;349;351;371;375;583;588;589;592;616;916;930;1010;1092;1166;1194;1200;1234;1497;1511;1545;CH211;238;709;735;855;1019;1065;1248;1286;1303;1339;1381;1597;1661;H1066","J.D.Fisher,P.H.M.Budzelaar,P.J.Shapiro,R.J.Staples,G.P.A.Yap,A.L.Rheingold,'Organometallics ',16,871,1997","x","RIVPAN","Al(C8H11)3;(eta5-1,2,4-trimethyl-cyclopentadienyl)-bis(1,2,4-trimethyl-cyclopentadienyl) -aluminium")
mo("ALJIRR~1",-44,"M,Al;Al2759;2764;2778;C2322;2331;2335;2341","Al596;601;602;AlC1124;1153;1160;1188;1204;1267;1304;1338;1374;1482;1486;1582;1634;1691;1730;C353;354;356;588;590;591","Qing Yu,A.Purath,A.Donchev,H.Schnockel,'J.Organomet.Chem. ',584,94,1999","x","JIRRIL01","[Al(C10H15)]4;tetrakis((MCP)-aluminium(I))")
mo("AsH3",6,",As;H1519;152","918","G.S.Blevins,A.W.Jache,W.Gordy,Physical Review,1955,97,684","mw","","AsH3;arsine")
mo("AsF3-W",6,",As;F1706","962","F.B.Clippard,L.S.Bartell,IOC,9,805,1970","mw","","AsF3;trifluoroarsine (arsenic trifluoride)")
mo("CL3AS-S3",6,",As;Cl2171;2175;2177","966;968","T.Probst,O.Steigelmann,J.Riede,H.Schmidbaur,Chem.Ber.,124,1089,1991","x","KISWUE","AsCl3;trichloroarsine (arsenic trichloride)")
mo("ASBR3",-6,"M,As;Br2324","99.8","A.G.Robiette.J.Molec.Struc.,35,81,1976","mw","","AsBr3;tribromoarsine (arsenic tribromide)")
mo("BR3AS-S2",6,",As;Br2322","989","H.Schmidbaur,W.Bublak,B.Huber,G.Muller,Angew.Chem.,Int.Ed.Engl.,26,234,1987","x","SALCIR","AsBr3;tribromoarsine (arsenic tribromide)")
mo("ASI3",-6,"M,As;I255","1005","Y.Morino,T.Ukaji,T.Ito,BCSJ,39,71,1966","mw","","AsI3;triiodoarsine (arsenic triiodide)")
mo("ASI3A",-6,"M,As;I254","985",".F-CS2","mw","","AsI3;triiodoarsine (arsenic triiodide)")
mo("I3AS-S1",6,",As;I2574;2577","984;99;1003","R.Kniep,H.D.Reski,Inorg.Chim.,Acta,64,L83,1982","x","BIBFOH","AsI3;triiodoarsine (arsenic triiodide)")
mo("H3AsO4",8,",As;O167;173","1077;1085;1086;1148","V.H.Worzala,ACB,24,987,1968","x","","AsO(OH)3;arsenic acid")
mo("(C6H5)3AS-S1",6,"(C6H5)~1,As;C1943;1952;1973","989;997;1006","Mazhar-Ul-Haque,H.A.Tayim,J.Ahmed,W.Horne,J.Crystallogr.Spectrosc.Res.,15,561,1985","x","ZZZEIG02","As(C6H5)3;triphenylarsine")
mo("(C6H5)3AS-S2",6,"(C6H5)~2,As;C195;1953;1959","1001;1004","A.N.Sobolev,V.K.Belsky,N.Yu.Chernikova,F.Yu.Akhmadulina,JOMC,244,129,1983","x","ZZZEIG01",".(C6H5)3AS-S1;")
mo("AsPh3",6,",As;C1935;1958;1961","992;996;1004",".(C6H5)3AS-S2","x","ZZZEIG01",".(C6H5)3AS-S1;")
mo("(BRC6H4)BR2AS-S1",6,"(BRC6H~1,As;C1999;Br2341;2351","CBr951;Br978;CBr995","I.A.Litvinov,V.A.Naumov,N.A.Chadaeva,Zh.Strukt.Khim.,27,185-1,1986","x","FAFWAK","As(C6H4Br)Br2;dibromo(2-bromophenyl)arsine")
mo("(C6F5)3AS-S1",6,"(C6F5)~1,As;C1952;196;1967","962;1026;1028","A.L.Rheingold,D.L.Staley,M.E.Fountain,JOMC,365,123,1989","x","SAPPEE","As(C6F5)3;tris(perfluorophenyl)arsine")
mo("(p(CH3)C6H4)3AS-S1",6,"(P(CH3~1,As;C1954","993","A.N.Sobolev,V.K.Belsky,JOMC,214,41,1981","x","TOLARS01","As(C7H7)3;tris(4-methylphenyl)arsine")
mo("As(PhMe3)3",6,"AS(PHM~1,As;C197;1975;1983","1064;1082;1092","A.N.Sobolev,I.P.Romm,N.Yu.Chernikova,V.K.Belsky,E.N.Guryanova,Organomet.Chem.,219,35,1981","x","BAFCUG","As(C9H11)3;tris(2,4,6-trimethylphenyl)arsine")
mo("AsF5",13,",As;F1656;1711","90;120;180","F.B.Clippard,L.S.Bartell,IOC 1970,9,805","ed","","AsF5;pentafluoroarsine (arsenic pentafluoride)")
mo("ASF6",-16,"M,As;F1690;1697;1703;1709;1845","F854;861;872;873;886;897;904;905;929;936;937;1726;1733;1787","F.B.Clippard,L.S.Bartell,IOC 1970,9,805","x","","AsF61-;hexafluoroarsine(V) anion")
mo("AUADOLUA",-2,"M,Au;Br2379;S2286","BrS1758","M.S.Hussain,A.A.Isab,A.Saeed,A.R.Al-Arfaj,'Z.Kristallogr.-New Cryst.Struct. ',216,629,2001","x","ADOLUA","[(C6H5)3PS]AuBr;bromo-(TPP sulfide)-gold(I)")
mo("AUDECC~1",-2,"M,Au;I2560","I1800","U.Geiser,H.H.Wang,K.S.Webb,M.A.Firestone,M.A.Beno,J.M.Williams,ACSC,43,996,1987","x","DECCUJ02","Au1I21-;diiodo-gold(I) anion")
mo("AUCAQTET",-2,"M,Au;Cl2269;N2089","ClN1772","B.Ahrens,P.G.Jones,A.K.Fischer,'Eur.J.Inorg.Chem. ',,1103,1999","x","CAQTET","(C9H20N)AuCl;chloro-(2,2,6,6-tetramethylpiperidine)-gold(I)")
mo("AUNUYRUU",-2,"M,Au;Br2374","Br1787","R.A.Butcher,R.J.Staples,'Z.Kristallogr.-New Cryst.Struct. ',213,213,1998","x","NUYRUU","Au1Br21-;dibromo-gold(I) anion")
mo("AUFAXJIX",-4,"M,Au;I2895;P2328;2343","IP1063;1105;P1431","G.A.Bowmaker,C.L.Brown,R.D.Hart,P.C.Healy,C.E.F.Rickard,A.H.White,'J.Chem.Soc.,Dalton Trans. ',,881,1999","x","FAXJIX","[(C6H11)3P]2AuI;iodo-bis(tricyclohexylphosphine)-gold(I)")
mo("AUBOJJEP",-8,"M,Au;Cl2710;P2396;2403;2430","ClP920;983;1077;P1161;1166;1196","P.G.Jones,G.M.Sheldrick,J.A.Muir,M.M.Muir,L.B.Pulgar,'J.Chem.Soc.,Dalton Trans. ',,2123,1982","x","BOJJEP","[(C6H5)3P]3AuCl;chloro-tris(TPP)-gold(I)")
mo("AUPETGAW",-8,"M,Au;Au2714;2715;2730;P2303","Au595;598;599;AuP1419;1432;1492","E.Zeller,H.Beruda,H.Schmidbaur,'Inorg.Chem. ',32,3203,1993","x","PETGAW","[(C4H9)3PAu]42+;tetrakis(tri-t-butylphosphine-)-cyclotetragold cation")
mo("AUCIMGEK",-9,"M,Au;Br2407;2416;2468;P2328","Br901;903;1761;BrP876;920;1774","D.S.Eggleston,D.F.Chodosh,D.T.Hill,G.R.Girard,ACSC,40,1357,1984","x","CIMGEK","(CH3CH2)3PAuBr3;tribromo-triethylphosphine-gold(III)")
mo("AUMIHSOL",-9,"M,Au;Cl2273;2275;2280;2294","Cl896;898;902;905;1782;1785","R.Oilunkaniemi,J.Pietikainen,R.S.Laitinen,M.Ahlgren,'J.Organomet.Chem. ',640,50,2001","x","MIHSOL","Au1Cl41-;tetrachloroaurate anion")
mo("AUJEKJOY",-11,"M,Au;Au2782;S2291;2302","AuS910;915;S1771","D.D.Heinrich,Ju-Chun Wang,J.P.Fackler Junior,ACSC,46,1444,1990","x","JEKJOY","[Au(S2CN(CH2CH3)2)]2;bis(/m~2~-N,N-diethyldithiocarbamato-S,S')-digold(I)")
mo("AUDODXID",-16,"M,Au;Cl2279;3121;3183;N2010;2048;2052","Cl871;964;1765;ClN830;858;887;907;954;958;970;1777;N845;1667","R.C.Elder,J.W.Watkins II,'Inorg.Chem. ',25,223,1986","x","DODXID","(C4H13N3)AuCl3;trichloro-(diethylenetriamine)-gold(III)")
mo("BF3A",-4,"M,B;F130","120","TID","ed","","BF3;trifluoroborane (boron trifluoride)")
mo("BF3",4,",B;F131","120","S.G.W.Ginn,J.K.Kenney,J.Overend,JCP 1968,48,1571","ir","",".BF3A;")
mo("BCl3",4,",B;Cl174","120","S.Konaka,Y.Murata,K.Kuchitsu,Y.Morino,BCSJ,1966,1134","ed","","BCl3;trichloroborane (boron trichloride)")
mo("BBr3",4,",B;Br189","120","S.Konaka,T.Ito,Y.Morino,BCSJ,1966,39,1146","ed","","BBr3;tribromoborane (boron tribromide)")
mo("BI3",4,",B;I210","120","M.A.Ring,J.D.H.Donnay,W.S.Koski,IOC,1,109,1962","x","","BI3;triiodoborane (boron triodide)")
mo("B2H6",-8,"M,B;H118;141","H100;120","TID","ed","","B2H6;diborane")
mo("B_GAFLAA",-8,"M,B;H1078;1102;1233;1253","H903;1085;1091;1095;1098;1243","H.W.Smith,W.N.Lipscomb,'J.Chem.Phys. ',43,1060,1965","x","GAFLAA",".B2H6;")
mo("B_FUZNOD",-8,"M,B;H1073;1135;1180;1193","H1043;1055;1057;1062;1069;1267","D.S.Marynick,W.N.Lipscomb,'Inorg.Chem. ',11,820,1972","x","FUZNOD","BH41-, Be2+;borohydride anion with beryllium cation")
mo("BF4-1",8,",B;F127;1315;1318;138","1027;1029;1105;1106;113;1162","T.O.Kocaba,C.G.Young,E.R.T.Tiekink,Inorg.Chim.,Acta,174,143,1990","x","JEVZAL","BF41-;tetrafluoroborate anion (tetrafluoborate)")
mo("BF4-2",8,",B;F127;1315;1318;138","1027;1029;1105;1106;113;1162","C.G.Young,T.O.Kocaba,Xue F.Yan,E.R.T.Tiekink,Liwen Wei,H.H.Murray III,C.L.Coyle,E.I.Stiefel,IOC,33,6252,1994","x","JEVZAL10",".BF4-1;")
mo("B_LITM~1",-8,"M,B;C1637;1641;1654","C1072;1079;1097;1170","W.E.Rhine,G.Stucky,S.W.Peterson,'J.Am.Chem.Soc. ',97,6401,1975","nd","LITMEB01","Li1+ B(CH3)41-;tetramethylboron anion with lithium cation")
mo("(C6H5)4B-S1",8,"(C4C0A~1,B;C1659;1666;1684;1685","1068;1069;1098;1104;1126","P.G.Jones,Chem.Commun.,,1031,1980","x","AUBPHA","B(C6H5)41-;tetraphenyborate anion")
mo("B_BUQVIS",-8,"M,B;C1640;1657;1665;1680;+Tl","1056;1077;1085;1098;1104;1145","I.R.Shapiro,D.M.Jenkins,J.C.Thomas,M.W.Day,J.C.Peters,'Chem.Commun. ',,2152,2001","x","BUQVIS","B(C6H5)[CH2P(C6H5)2]2;(tris(diphenylphosphinomethyl)(phenyl)borate-P,P',P'')-thallium(I)")
mo("B_JEBLUX",-8,"M,B;C1600;1603;H1280;1289","C1232;CH1084;1089;1115;H878","R.A.Bartlett,H.V.R.Dias,M.M.Olmstead,P.P.Power,K.J.Weese,'Organometallics ',9,146,1990","x","JEBLUX","[BH(C9H11)2]2;bis(/m~2~-hydrido)-bis(dimesityl-borane)")
mo("B_FUYY~1",-20,"M,B;B1749;1751;1779;1783;1787;H1191","B600;602;607;609;692;1074;1076;1146;1178;1181;BH1149;1150;1179;1181;1277","R.Brill,H.Dietrich,H.Dierks,ACS B,27,2003,1971","x,nd","FUYYIH02","H14B10;decaborane(14)")
mo("B_GABJ~1",-20,"M,B;B1700;1706;1796;1803;1820;H1115","B602;606;610;612;1064;1083;1086;1121;1126;BH1145;1209;1216;1232;1236","C.T.Brewer,R.G.Swisher,E.Sinn,R.N.Grimes,'J.Am.Chem.Soc. ',107,3558,1985","x","GABJEY10","H16B12;dodecaborane(16)")
mo("B_GABJAU",-20,"M,B;B1748;1753;1760;1766;H1064","B624;625;659;661;665;1087;1177;1199;1237;1250;BH1080;1140;1151;1162;1213","J.C.Huffman,D.C.Moody,R.Schaeffer,'Inorg.Chem. ',20,741,1981","x","GABJAU","H20B14;tetradecaborane(20)")
mo("B_MDCCNB",-20,"M,B;B1775;1950;1984;C1589;1621;H1070","B610;904;906;BC528;534;559;565;1017;1024;BH1263;1334;1337;C1059;CH1210;1213","T.F.Koetzle,F.E.Scarbrough,W.N.Lipscomb,'Inorg.Chem. ',7,1076,1968","x","MDCCNB","C4H13B7;1,6-dimethyl-1,6-dicarba-clovo-nonaborane(9)")
mo("B_CABO~1",-20,"M,B;B1754;1755;1769;1773;C1699;H1162","B594;597;607;1083;1086;BC590;591;1046;1049;BH1192;1199;1261;1264;CH1195","N.I.Kirillova,A.I.Klimova,Yu.T.Struchkov,V.I.Stanko,'Zh.Strukt.Khim.(Russ.)(J.Struct.Chem.) ',17,675,1976","x","BCABOR10","C4H22B20;2,2'-bi(p-carborane)")
mo("B_XATDOL",-20,"M,B;B1758;1760;1792;C1731;H1089","B596;611;1079;1084;BC585;587;1045;1046;BH1198;1199;1260;1261;CH1200","A.S.Batsanov,M.A.Fox,J.A.K.Howard,J.A.H.MacBride,K.Wade,'J.Organomet.Chem. ',610,20,2000","x","XATDOL","C6H12B10;1,12-diethynyl-1,12-dicarba-closo-dodecaborane(10)")
mo("B_TOFXOB",-20,"M,B;B1778;1780;1791;C1708;H1030","B589;596;601;1074;1079;1088;BC587;599;1044;1048;BH1164;1225;1242;1277;CH1213","R.C.B.Copley,M.A.Fox,W.R.Gill,J.A.K.Howard,J.A.H.MacBride,R.J.Peace,G.P.Rivers,K.Wade,'Chem.Commun. ',,2033,1996","x","TOFXOB","C6H14B10;1,2-(buta-1',3'-diene-1',4'-diyl)-1,2-dicarbadodecaborane")
mo("B_OCATER",-20,"M,B;B1778;1782;1783;1790;C1694;H1054","B596;599;603;1082;1086;1093;BC585;597;1043;1044;BH1177;1194;1275;1281;CH1182","G.V.Grintselev-Knyazev,K.A.Lyssenko,M.Yu.Antipin,S.P.Knyazev,V.N.Kirin,E.A.Chernyshev,ACSC,57,827,2001","x","OCATER","C8H16B10;3-phenyl-1,2-dicarba-closo-dodecaborane(11)")
mo("B_TULTAV",-20,"M,B;B1749;1773;1782;1797;C1728;H1137","B584;593;602;1070;1078;1099;BC591;611;1051;BH1163;1222;1250;1288;CH1188","J.H.Atkins,D.M.Ho,M.Jones Junior,'Tetrahedron Lett. ',37,7217,1996","x","TULTAV","C8H16B10;1,2-(cyclohexa-1,4-diene-3,6-diyl)-1,2-dicarbadodecaborane")
mo("B_EDOGIN",-20,"M,B;B1769;1781;1785;C1710;H1079","B595;600;603;1081;1082;1086;BC589;595;1052;BH1163;1206;1272;1300;CH1161","A.S.Batsanov,C.K.Broder,A.E.Goeta,J.A.K.Howard,A.K.Hughes,J.M.Malget,'J.Chem.Soc.,Dalton Trans. ',,14,2002","x","EDOGIN","C10H18B10;1,2-(o-xylylene)-1,2-dicarba-closo-dodecaborane(10)")
mo("BABAVDAD",-38,"M,Ba;O2710;2737;2771;2809;2876;2881;2926;2948;2992","565;604;626;627;662;663;674;683;702;715;720;733;745;747;772;903;980;1043;1060;1091;1178;1219;1220;1255;1274;1318;1329;1332;1336;1345;1374;1586;1710","R.P.Sharma,P.Singh,G.Hefter,E.R.T.Tiekink,'Z.Kristallogr. ',214,492,1999","x","BAVDAD","[(H2O)5Ba(C6H3N2O5)2]2;bis[(/m~2~-aqua)-tetraaqua-(2,4-dinitrophenolato-O,O')-(2,4-dinitrophenolato-O)-barium(II)]")
mo("BABIWBAK",-39,"M,Ba;O2753;2828;2835;2878;2885","450;597;607;609;672;709;720;741;752;819;981;1048;1059;1080;1091;1128;1191;1193;1203;1350;1800","L.Archer,M.J.Hampden-Smith,E.Duesler,'Polyhedron ',17,713,1998","x","BIWBAK","(C12H24O6)Ba(O2CCH3)2;diacetato-(18-crown-6)-barium tetrahydrate")
mo("BAJAWZOW",-40,"M,Ba;O2810;2832;2845;2847;2860;2878;2886;2901;2907;2943;2980","O404;437;570;578;581;584;587;635;652;653;684;685;688;697;727;728;729;732;743;754;773;803;817;892;912;959;963;977;1021;1079;1085;1088;1091;1108;1119;1146;1154;1168;1283;1328;1340;1364;1369;1378;1397;1411;1433;1435;1437;1439;1460;1483;1531","P.C.Junk,J.W.Steed,'J.Chem.Soc.,Dalton Trans. ',,407,1999","x","JAWZOW","(C12H24O6)(H2O)Ba(NO3)2;aqua-(18-crown-6)-bis(nitrato-O,O')-barium")
mo("BABECYIR",-40,"M,Ba;N2866;2919;O2791;2853","N677;1205;1357;1390;NO678;738;779;835;1198;1365;O587;1173","M.Czugler,A.Kalman,'J.Mol.Struct. ',75,29,1981","x","BECYIR","(C32H32N2O9)Ba(NCS)2;(1,19-bis(8-quinolyl)-3,17-dioxo-1,4,7,10,13,16,19-heptaoxanonadecane)-bis(isothiocyanato)-barium")
mo("BELAJXUP",-4,"M,Be;C1739;O1637","C1276;CO1162","K.Ruhlandt-Senge,R.A.Bartlett,M.M.Olmstead,P.P.Power,'Inorg.Chem. ',32,1724,1993","x","LAJXUP","[(CH3CH2)2O]Be(C9H11)2;(diethyl ether)-dimesityl-beryllium")
mo("F-BEF4",-8,",Be;F157","1095","D.R.Sears,J.H.Burns,JCP,41,3478,1964","x","","BeF42-;beryllium tetrafluoride anion")
mo("BEKIPPEE",-8,"M,Be;F1535;1542","F1086;1097;1099;1105","Y.Le Fur,S.Aleonard,M.F.Gorius,ACSC,47,949,1991","x","KIPPEE",".F-BEF4;")
mo("BEXUGHAI",-8,"M,Be;F1535;1549;1560;1575","F1069;1086;1095;1097;1110;1111","L.A.Gerrard,M.T.Weller,ACSC,58,m504,2002","x","XUGHAI",".F-BEF4;")
mo("BEQQQD~1",-8,"M,Be;Cl1978;O1654","Cl1165;ClO1080;1100;O1037","V.K.Bel'skii,N.R.Strel'tsova,B.M.Bulichev,L.V.Ivakina,P.A.Storozhenko,'Zh.Strukt.Khim.(Russ.)(J.Struct.Chem.) ',28,166-1,1987","x","QQQDQD01","(C4H8O)2BeCl2;dichloro-bis(tetrahydrofuran)-beryllium")
mo("BEACAC~1",-8,"M,Be;O1606;1614;1620;1625","O1075;1076;1078;1096;1116;1126","S.Onuma,S.Shibata,ACSC,41,1181,1985","x","ACACBE02","Be(C5H7O2)2;bis(acetylacetonato)-beryllium(II)")
mo("BESIMLIJ",-16,"M,Be;Zr2326;2328;2330","Zr897;898;900;902;903;1800","F.Rogel,J.D.Corbett,'J.Am.Chem.Soc. ',112,8198,1990","x","SIMLIJ","[(C2H5NH2)6ZrCl2]6Be;(/m~6~-beryllium)-dodecakis(/m~2~-chloro)-hexakis((ethylamine-N)-zirconium)")
mo("BEFOBTOF",-42,"M,Be;C1707;1872;1873;1878;1879;1897","C439;440;443;444;746;749;752;1382;1411;1426","C.J.Burns,R.A.Andersen,'J.Am.Chem.Soc. ',109,5853,1987","x","FOBTOF","Be(C10H15)[CH3Yb(C10H15)2];((MCP)-methyl-beryllium-C)-bis(MCP)-ytterbium")
mo("BEJEFKIO",-42,"M,Be;C1867;1869;1870;1873;1875;Cl1868","C432;433;437;444;733;736;737;741;CCl1394;1404;1405;1419;1420","R.Goddard,J.Akhtar,K.B.Starowieyski,'J.Organomet.Chem. ',282,149,1985","x","JEFKIO","Be1(C5H5)Cl1;(CP)-chloro-beryllium")
mo("CL3BI-S2",6,",Bi;Cl2445;2511;2514","885;90;949","I.M.Vezzosi,A.F.Zanoli,L.P.Battaglia,A.B.Corradi,JCSD,,191,1988","x","FUNJUT","BiCl3;trichlorobismuthine")
mo("BiBr3",6,",Bi;Br263","100","H.A.Skinner,L.E.Sutton,Trans.Faraday Soc.,36,681,1940","ed","","BiBr3;tribromobismuthine")
mo("Bi(CH3)3",6,",Bi;C227","967","B.Beagley,K.T.McAloon,J.Mol.Struc.,17,429,1973","ed","","Bi(CH3)3;trimethylbismuthine")
mo("(C6H5)3BI-S1",6,"(C6H5)~3,Bi;C2211;2251;2252","92;942;956","D.M.Hawley,G.Ferguson,JCS A,,2059,1968","x","BITRPH10","Bi(C6H5)3;triphenylbismuthine")
mo("(C6H5)3BI-S2",6,"(C6H5)~4,Bi;C2237;227;2273","926;942;947","P.G.Jones,A.Blaschette,D.Henschel,A.Weitze,Z.Kristallogr.,210,377,1995","x","BITRPH02",".(C6H5)3BI-S1;")
mo("((pCH3)C6H4)3BI-S1",6,"((PCH3~1,Bi;C2236;2252;2255","939;948;954","A.N.Sobolev,V.K.Bel'skii,I.P.Romm,Koord.Khim.,9,262,1983","x","BUCSOH","Bi(C7H7)3;tris(4-methylphenyl)bismuthine")
mo("((CH3)3C6H2)3BI-S1",6,"((CH3)~1,Bi;C2306;2309;2312","947;1069;1074",".((CH3CH2O)2C6H3)3BI-S1","x","MSTLBI01","Bi(C9H11)3;tris(2,4,6-triphenyl)bismuthine")
mo("((CH3)3C6H2)3BI-S2",6,"((CH3)~2,Bi;C2243;2313;2315","952;1055;1074",".((CH3CH2O)2C6H3)3BI-S1","x","MSTLBI01",".((CH3)3C6H2)3BI-S1;")
mo("((CH3CH2O)2C6H3)3BI-S1",6,"((CH3C~1,Bi;C2254;2256;2278","957;1012;1014","T.Ogawa,T.Ikegami,T.Hikasa,N.Ono,H.Suzuki,JCS,Perkin Trans.1,,3479,1994","x","LIKPAW","Bi(C8H9O2)3;tris(2,6-dimethoxyphenyl)bismuthine")
mo("(C6F5)3BI-S1",6,"(C6F5)~2,Bi;C2239;2256;2265","933;938;983","A.Schmuck,D.Leopold,S.Wallenhauer,K.Seppelt,Chem.Ber.,123,761,1990","x","SETNOU","Bi(C6F5)3;tris(perfluorophenyl)bismuthine")
mo("(CH3)3BiCl2-1",13,"(CH3)3~1,Bi;C2189;2196;2207;Cl2602;2617","ClC887;888;90;903;908;914;C1153;1174;1273;Cl1778","S.Wallenhauer,K.Seppelt,Angew.Chem.,Int.Ed.Engl.,33,976,1994","x","WEVGUZ","Bi(CH3)3Cl2;dichlorotrimethylbismuthine")
mo("(C6H5)3BiCl2-1",13,"(CC0C3~1,Bi;C1999;2149;2239;Cl256;2579","ClC864;872;878;883;951;955;C1178;1197;1225;Cl1747","D.M.Hawley,G.Ferguson,JCS A,,2539,1968","x","BITPHC10","Bi(C6H5)3Cl2;dichlorotriphenylbismuthine")
mo("(C6H5)3BiCl2-2",13,"(CC0CF~1,Bi;C1829;2259;2261;Cl2529;2615","ClC842;895;912;913;914;925;C1123;1173;1303;Cl1756","","x","BITPHC10",".(C6H5)3BiCl2-1;")
mo("(C6F5)3F2BI-S1",13,"(C6F5)~3,Bi;F2089;C2185;2192","FC872;912;917;C1183;1235;F1767",".(C6F5)3BI-S1","x","SETNOU","Bi(C6F5)3F2;difluorotris(perfluorophenyl)bismuthine")
mo("BIKAMWIE",-36,"M,Bi;Cl2498;2510;2549;O2652;2683;2730;2742","Cl919;924;944;ClO795;848;857;991;1021;1220;1257;1418;1448;1633;1664;O607;611;626;644;937;939","N.W.Alcock,M.Ravindran,G.R.Willey,'Chem.Commun. ',,1063,1989","x","KAMWIE","(C8H16O4)BiCl3;trichloro-(12-crown-4)-bismuth(III)")
mo("BR2-1",1,",Br;Br2282","","O.Hassel,K.O.Stromme,Acta Chem.Scand.,13,275,1959","x","ACETBR","Br2;dibromine")
mo("BR2-2",1,",Br;Br2327","","K.-M.Marstokk,K.O.Stromme,ACB,24,713,1968","x","ACTNBM",".BR2-1;")
mo("BR2-3",1,",Br;Br2324","","P.Groth,O.Hassel,Acta Chem.Scand.,18,402,1964","x","METHOB",".BR2-1;")
mo("HBr",1,",Br;H141","","Wells,p.399","x","","HBr;hydrogen bromide")
mo("Br3-1",2,",Br;Br2551","1776","M.P.Bogaard,A.D.Rae,Cryst.Struct.Commun.,11,175,1982","x","BEPZEB","Br31-;tribromide anion")
mo("BrF3",11,",Br;F172;181","86;172","D.W.Magnuson,JCP,1957,27,223","mw","","BrF3;bromine trifluoride")
mo("F-BRF3",-11,",Br;F1721;181","862;1724","D. W. Magnuson, JCP 27, 223 (1957)","mw","",".BrF3;")
mo("BrF6-1",16,",Br;F1759;1776;1812;1828;1842;1877","886;893;894;897;90;902;911;918;1774;1782;1795","A.R.Mahjoub,Xiongzhi Zhang,K.Seppelt,Chem.Eur.J.,1,261,1995","x","ZAQBIC","BrF61+;bromine hexafluoride cation")
mo("F-BRF5",-15,",Br;F1689;1774","848;895;1696","A. G. Robiette, R. H. Bradley, P. N. Brier Chem. Commun. 1971, 1567","mw","","BrF5;bromine pentafluoride")
mo("F-CN",-1,",C;N117","","Astrophys.J.,199,303,1954","uv","","CN;cyano radical")
mo("F-CNCAT",-1,",C;N116","","Herzberg.1950.UV","uv","","CN1+;cyano cation")
mo("F-COCAT",-1,",C;O112","",".F-CNCAT","uv","","CO1+;carbon monoxide radical cation")
mo("CO",1,",C;O112","","O.R.Gilliam,E.M.Johnson,W.Gordy,PR,78,140,1950","mw","","CO;carbon monoxide")
mo("cyanide1",1,",C;N1245","","P.V.Bernhardt,G.A.Lawrance,B.W.Skelton,A.H.White,Aust.J.Chem.,42,1035,1989","x","VAZDIJ","CN1-;cyanide anion")
mo("cyanide2",1,",C;N1252","","P.Berno,S.Gambarotta,JCS,Chem.Comm.,,2419,1994","x","POPBEB",".cyanide1;")
mo("C2H2",-2,"M,C;C1205;H106","HC180","TID","ed","","C2H2;ethyne (acetylene)")
mo("C2H2-1",2,",C;H1015;C1186","HC180","R.K.McMullan,A.Kvick,P.Popelier,ACB,48,726,1992","nd","ACETYL02",".C2H2;")
mo("C2H2-2",2,",C;H1025;C1176","HC180",".C2H2-1","nd","ACETYL03",".C2H2;")
mo("F-HCN",-2,",C;H107;N115","NH180","A.E.Douglas,D.Sharma,JCP,21,448,1953","ir","","HCN;hydrogen cyanide")
mo("BRCN",-2,"M,C;Br179;N113","BrN180","TID","ed","","BrCN;cyanogen bromide")
mo("CH3CN-1",2,",C;N1132;C1454","NC1789","B.Krebs,E.Luhrs,R.Willmer,F.-P.Ahlers,Z.Anorg.Allg.Chem.,592,17,1991","x","VIKHUS","CH3CN;cyanomethane (acetonitrile)")
mo("HNCOA",-2,"M,C;N1172;O1195","NO1789","W.C.vonDohlen,G.B.Carpenter,Acta Cryst.,1955,8,646","x","","HNCO;hydrogen isocyanide")

mo("cyanate2",2,",C;N1148;O1216","ON1798","D.D.Titus,J.-S.Lee,R.F.Ziolo,JOMC,120,381,1976","x","TPTECY","NCO1-;cyanate anion")
mo("cyanate4",2,",C;N1151;O1353","ON180","Y.M.Chow,D.Britton,ACB,31,1922,1975","x","DMTLCT01","NCO1-;cyanate anion")
mo("thiocyanate1",2,"THIOCY~1,C;N1156;S1649","SN179","P.Groth ,Acta Chem.Scand.Ser.A,37,283,1983","x","BIVNID10","SCN1-;thiocyanate anion")
mo("thiocyanate3",2,"THIOCY~2,C;N1159;S1611","SN1794","G.Weber,ACB,37,1832,1981","x","BAGTUY",".thiocyanate1;")
mo("thiocyanate4",2,"THIOCY~3,C;N1112;S1665","SN1781","U.Thewalt,Z.Anorg.Allg.Chem.,393,1,1972","x","APENCT",".thiocyanate1;")
mo("CO2-1",2,",C;O1163","180","J.Research Nat.Bureau Stds.,55,183,1955","IR","","CO2;carbon dioxide")
mo("CO2",-2,"M,C;O115","180",".F-CS2","ed","","CO2;carbon dioxide")
mo("F-COS",-2,",C;O116;S156","SO180","P. C. Cross JCP 3, 821 (1935)","ed","","COS;carbonyl sulfide")
mo("F-CS2",-2,",C;S156","180","O.Hassel,H.Viervoll,ACS,1,149,1947","ed","","CS2;carbon disulfide")
mo("C60-1",4,",C;C1398;1438;1442","1085;1191;1198","U.Geiser,S.Kalyan Kumar,B.M.Savall ,S.S.Harried,K.D.Carlson,P.R.M obley,H.Hau Wang,J.M.Williams,R.E.Botto,W.Liang,M.-H.Whangbo,Chemistry of Materials,4,1077,1992","x","JUVYAA","C60;C<SUB>60</SUB>-fullerene (buckminsterfullerene)")
mo("C60-S1",4,",C;C1383;1444;1448","1087;1196;1201","M.Fedurco,M.M.Olmstead,W.R.Fawcett,IOC,34,390,1995","x","YIKVET",".C60-1;")
mo("C_ZESHIO",-4,"M,C;C1385;1449;1453","C1076;1200;1205","Wai Chou Wan,Xiaohua Liu,G.M.Sweeney,W.E.Broderick,'J.Am.Chem.Soc. ',117,9580,1995","x","ZESHIO","C601-;C<SUB>60</SUB>-fulleride radical anion")
mo("C2H4-1",4,",C;H1071;C1314","H1176;HC1212","G.J.H.van Nes,A.Vos,ACB,35,2593,1979","x","ETHLEN10","C2H4;ethene (ethylene)")
mo("C2CL4",-4,"M,C;C138;Cl171","Cl1222","TID","ed","","C2Cl4;tetrachloroethene")
mo("acetateA-1",4,"ACETAT~1,C;O124;1261;C1515","OC1171;1196;O1233","A.Itai,Y.Iitaka,ACB,34,3420,1978","x","ADMINA","CH3CO21-;acetate anion")
mo("acetateA-2",4,"ACETAT~2,C;O1243;1244;C1519","OC1176;1184;O1239","I.Nahringbauer,Acta Chem.Scand.,22,1141,1968","x","AMACAM",".acetateA-1;")
mo("acetateA-3",4,"ACETAT~3,C;O1245;1255;C1511","OC1176;1188;O1236","L.-Y.Hsu,C.E.Nordman,ACC,39,690,1983","x","BOPKOG10",".acetateA-1;")
mo("oxalateA-1",4,"OXALAT~1,C;O1203;1329;C1521","OC1149;O1219;OC1232","K.B.Birnbaum,ACB,28,1551,1972","x","ADELOX10","C2O42-;oxalate anion")
mo("oxalateA-2",4,"OXALAT~2,C;O1236;1258;C1548","OC1144;1185;O1272","H.Kuppers,ACB,29,318,1973","x","AHOXLH",".oxalateA-1;")
mo("oxalateA-3",4,"OXALAT~3,C;O1217;1277;C1544","OC1127;1196;O1277","F.Bigoli,M.Lanfranchi,E.Leporati,M.Nardelli,M.A.Pellinghelli,ACB,37,1258,1981","x","AMTBUB",".oxalateA-1;")
mo("F-CH2O",-4,",C;H106;O123","OH117;H126","D.W.Davidson,B.P.Stoicheff,J.J.Bernstein,JCP,22,289,1954","ir,uv","","CH2O;formaldehyde")
mo("F-CHFO",-4,",C;H110;O118;F134","HF110;OF123;OH127","R.F.Miller,R.F.Curl,Jr.,JCP,34,1847,1961","mw","","CHFO;formyl fluoride")
mo("C_NUGGOL",-4,"M,C;C1504;1515;O1194","C1162;CO1215;1223","J.Vicente,M.-T.Chicote,S.Huertas,M.C.Ramirez de Arellano,P.G.Jones,'Eur.J.Inorg.Chem. ',,511,1998","x","NUGGOL","C3H6O1;acetone")
mo("F-CF2O",-4,",C;O1174;F1312","108;OF126","V.W.Laurie,D.T.Pence,R.H.Jackson,JCP,37,2995,1962","mw","","CF2O;carbonyl fluoride")
mo("CCL2O",-4,"M,C;Cl1740;O1180","Cl1125;ClO1237","TID","ed","","CCl2O;carbonyl chloride (phosgene)")
mo("CCL2S",-4,"M,C;Cl1700;S1630","Cl1160;ClS1220","TID","ed","","CCl2S;thiophosgene")
mo("carbonate1",4,"CARBON~1,C;O1279","120","C.Anderson,A.L.Beauchamp,IOC,34,6065,1995","x","ZIPJAJ","CO32-;carbonate anion")
mo("carbonate2",4,"CARBON~2,C;O1236;1237;1304","1158;1186;1256","F.Ozawa,T.Son,S.Ebina,K.Osakada,A.Yamamoto,Organometallics,11,171,1992","x","JOLZIT",".carbonate1;")
mo("carbonate3",4,"CARBON~3,C;O1272;1273","120","R.Strandberg,B.K.S.Lundberg,Acta Chem.Scand.,25,1767,1971","x","IMAZCO",".carbonate1;")
mo("H2OX-1",4,",C;O1212;1291;C1535","OC1124;1211;O1265","T.M.Sabine,G.W.Cox,B.M.Craven,ACB,25,2437,1969","nd","OXACDH04","H2C2O4;oxalic acid")
mo("H1oxalate2",4,"H1OXAL~1,C;O1217;1277;C1544","OC1127;1196;O1277",".oxalateA-3","x","AMTBUB","HC2O41-;hydrogen oxalate anion")
mo("H1oxalate3",4,"H1OXAL~2,C;O1236;1258;C1548","OC1144;1185;O1272",".oxalateA-2","x","AHOXLH",".H1oxalate2;")
mo("H1oxalate4",4,"H1OXAL~3,C;O1203;1329;C1521","OC1149;O1219;OC1232",".oxalateA-1","x","ADELOX10",".H1oxalate2;")
mo("bicarbonate1",4,"BICARB~1,C;O1232;1257;133","1171;1172;1257","Qi Li,T.C.W.Mak,J.Inclusion Phenomena,20,73,1995","x","ZERQES","HCO31-;hydrogen carbonate anion (bicarbonate)")
mo("bicarbonate2",4,"BICARB~2,C;O123;1253;1262","1155;1199;1246",".bicarbonate1","x","ZERQAO",".bicarbonate1;")
mo("bicarbonate3",4,"BICARB~3,C;O1228;1264;1313","1179;1189;1232",".bicarbonate1","x","ZERPUH",".bicarbonate1;")
mo("C_DILJIR",-4,"M,C;N1287;1295;1308","N1188;1198;1214","H.Kiriyama,N.Matsushita,Y.Yamagata,ACSC,42,277,1986","x","DILJIR","[C(NH2)3]1+;guanidinium cation")
mo("F-CH4",-8,",C;H1094","1095","Canad.J.Phys,33,138,1955","rm","","CH4;methane")
mo("F-CH3F",-8,",C;H1109;F1385","HF1089;H110","O.R.Gilliam,H.D.Edwards,W.Gordy,PR,75,1014,1949","mw","","CH3F;fluoromethane (methyl fluoride)")
mo("CH3Cl-1",8,",C;H1089;1091;Cl1805","HCl1093;H1095;1096;HCl1097","R.D.Burbank,JACS,75,1211,1953","x","CLMETH","CH3Cl;chloromethane (methyl chloride)")
mo("CH3I-1",8,",C;H100;I2149","H1094;IH1095","E.O.Fischer,J.Chen,U.Schubert,Z.Naturforsch.,Teil B,37,1284,1982","x","BOFCUU","CH3I;iodomethane (methyl iodide)")
mo("CH3I-2",8,",C;H100;I210","H1094;IH1095",".CH3I-1","x","BOFCUU",".CH3I-1;")
mo("CH3I-3",8,",C;H1083;111;I2077","H1059;IH1102;H1115;IH1116","F.Vogtle,H.-G.Lohr,H.Puff,W.Schuh,Angew.Chem.,Int.Ed.Engl.,22,409,1983","x","BUHWOQ",".CH3I-1;")
mo("CH2F2-1",8,",C;H902;1077;F1345;1374","HF1065;F1066;HF1101;1102;H1113;HF1119",".BrF6-1","x","ZAQBAU","CH2F2;difluoromethane (methylene fluoride)")
mo("CH2F2-2",8,",C;H106;1072;F1344;1371","HF1036;1045;F1051;HF1104;H1268",".BrF6-1","x","ZAQBAU",".CH2F2-1;")
mo("CH2F2-5",8,",C;H1079;108;F1287;1411","999;HF105;H1095;HF1131;1137;1153","A.R.Mahjoub,Xiongzhi Zhang,K.Seppelt,S.Giese,U.Gross,Chem.Eur.J.,1,261,1995","x","ZAQBID",".CH2F2-1;")
mo("F-CH2F2",-8,",C;H1092;F1358","1083;HF1091;H1119","D.R.Lide,JACS,74,3548,1952","mw","",".CH2F2-1;")
mo("CH2CL2-S2",8,"CH2CL2~2,C;H961;Cl1748","HCl1092;1093;H1096;Cl1103","W.A.Herrmann,H.Biersack,M.L.Ziegler,B.Balbach,JOMC,206,C33,1981","x","BAGBOA","CH2Cl2;dichloromethane (methylene chloride)")
mo("CH2Br2-1",8,",C;H100;Br1888;1902","HBr1091;H1095;Br1109","D.Fenske,B.Czeska,C.Schumacher,R.E.Schmidt,K.Dehnicke,Z.Anorg.Allg.Chem.,520,7,1985","x","DEBKUQ","CH2Br2;dibromomethane (methylene bromide)")
mo("CH2Br2-2",8,",C;H100;Br1882;1903","HBr1085;H1095;Br1134",".CH2Br2-1","x","DEBKUQ",".CH2Br2-1;")
mo("CH2Br2-3",8,",C;H100;Br190;1901","HBr1094;1095;H;Br",".CH2Br2-1","x","DEBKUQ",".CH2Br2-1;")
mo("ch2I2-1",8,",C;H1087;1104;I2143;2158","IH1067;1074;1092;H1099;IH1108;I1129","D.A.Prystupa,B.H.Torrie,B.M.Powell,P.N.Gerlach,Mol.Phys.,68,835,1989","x","DIMETH01","CH2I2;diiodomethane (methylene iodide)")
mo("ch2I2-2",8,",C;H1104;I2137","IH1084;H1104;I1129",".ch2I2-1","x","DIMETH03",".ch2I2-1;")
mo("CH2I2-6",8,",C;H100;I2126","IH1082;1083;H1095;I1143","U.Geiser,S.Kalyan Kumar,B.M.Savall,S.S.Harried,K.D.Carlson,P.R.Mobley,H.Hau Wang,J.M.Williams,R.E.Botto,W.Liang,M.-H.Whangbo,Chemistry of Materials,4,1077,1992","x","JUVYAA",".ch2I2-1;")
mo("F-CHF3",-8,",C;H1098;F1332","1088;HF1101","S.N.Ghosh,R.Trambarulo,W.Gordy,JCP,20,605,1952","mw","","CHF3;trifluoromethane (fluoroform)")
mo("CHCl3-1",8,",C;H949;Cl1644;1653;1681","HCl1024;Cl1059;1067;HCl1133;1142;Cl1143","C.Courseille,F.Leroy,B.Busetta,J.Barbet,ACB,33,1570,1977","x","ACRZTD","CHCl3;trichloromethane (chloroform)")
mo("CHCl3-10",8,",C;H1067;Cl1703;1714;1731","HCl99;Cl1087;110;1116;HCl113;1143","L.M.Wilkes,J.H.Nelson,J.P.Mitchener,M.W.Babich,W.C.Riley,B.J.Helland,R.A.Jacobson,M.Y.Cheng,K.Seff,L.B.McCusker,IOC,21,1376,1982","x","BEYHAO",".CHCl3-1;")
mo("CHCl3-2",8,",C;H936;Cl1719;1739;1759","HCl1075;1084;1091;Cl1093;1103;1122","T.C.van Soest,ACB,26,1940,1970","x","AFLATC",".CHCl3-1;")
mo("CHBr3-1",8,",C;H100;Br1912;195","HBr1065;1069;Br112;1124","T.Dahl,O.Hassel,Acta Chem.Scand.,25,2168,1971","x","BFHMTA","CHBr3;tribromomethane (bromoform)")
mo("CHBr3-3",8,",C;H97;Br1916;1918;1938","HBr1082;1084;1088;Br1101;1102;111",".BF4-1","x","JEVZAL",".CHBr3-1;")
mo("CHBr3-5",8,",C;H969;Br189;1938;1963","1081;HBr1088;Br109;HBr1096;Br1104;HBr1109","E.R.T.Tiekink,Xue Feng Yan,C.G.Young,Aust.J.Chem.,45,897,1992","x","KUCBAL",".CHBr3-1;")
mo("CHI3-1",8,",C;H100;I2105;2163;2216","IH1056;1075;1085;I1102;1119;1129","H.-G.Lohr,A.Engel,H.-P.Josel,F.Vogtle,W.Schuh,H.Puff,J.Org.Chem.,49,1621,1984","x","CIBFIC","CHI3;triiodomethane (iodoform)")
mo("CHI3-2",8,",C;H100;I2103;2147;222","IH1045;I1079;IH1089;1102;I1121;1132",".CHI3-1","x","CIBFOI",".CHI3-1;")
mo("CHI3-8",8,",C;H100;I2141;2204","IH1081;I1095;IH1101;I1115","T.Dahl,O.Hassel,Acta Chem.Scand.,24,377,1970","x","HEXAIF10",".CHI3-1;")
mo("CF4",-8,"M,C;F1360","F1095","TID","ed","","CF4;tetrafluoromethane (carbon tetrafluoride)")
mo("CF4-1",8,",C;F1314;1316","109;1093;1097;1101","A.N.Fitch,J.K.Cockcroft,Z.Kristallogr.,203,29,1993","nd","TFMETH02",".CF4;")
mo("CF4-2",8,",C;F1325;1333","1086;1095;1097","G.Pepe,J.-M.Gay,JCP,90,5735,1989","x","TFMETH03",".CF4;")
mo("CCL4",-8,"M,C;Cl176","1095","TID","ed","","CCl4;tetrachloromethane (carbon tetrachloride )")
mo("C_CARB~1",-8,"M,C;Cl1726;1737;1752;1767","Cl1083;1085;1093;1097;1100;1110","S.Cohen,R.Powers,R.Rudman,ACS B,35,1670,1979","x","CARBTC07",".CCL4;")
mo("CBR4",-8,"M,C;Br194","1095","TID","ed","","CBr4;tetrabromomethane (carbon tetrabromide )")
mo("C_CTBROM",-8,"M,C;Br1883;1899;1931;1964","Br1071;1084;1085;1094;1109;1126","M.More,F.Baert,J.Lefebvre,'Acta Crystallogr.,Sect.B:Struct.Crystallogr.Cryst.Chem. ',33,3681,1977","x","CTBROM",".CBR4;")
mo("CI4",-8,"M,C;I2150","I1095","TID","ed","","CI4;tetraiodomethane (carbon tetraiodide)")
mo("Ci4-1",8,",C;I2154","1092;1096","S.Pohl Z.,Kristallogr.,Kristallgeom.,Kristallphys.,Kristallchem.,159,211,1982","x","ZZZKDW01",".CI4;")
mo("CFCL3",-8,"M,C;Cl1760;F1440","Cl  1132;ClF 1054","TID","ed","","CFCl3;fluorotrichloromethane")
mo("CFCl3-1",8,",C;F1356;Cl1752;1762;1764","FCl1079;108;1088;Cl110;1109;1112","J.K.Cockcroft,A.N.Fitch,Z.Kristallogr.,209,488,1994","nd","POCTUW",".CFCL3;")
mo("CFBR3",-8,"M,C;Br1910;F1440","Br1127;BrF1060","TID","ed","","CFBr3;fluorotribromomethane")
mo("CFBr3-1",8,",C;F1334;Br1931;194","FBr1084;1085;Br1102;111","A.N.Fitch,J.K.Cockcroft,Z.Kristallogr.,202,243,1992","nd","KUVCOT",".CFBR3;")
mo("CBRCL3",-8,"M,C;Br2010;Cl1760","BrCl1050;Cl1135","TID","ed","","CBrCl3;bromotrichloromethane")
mo("CBrF3-1",8,",C;F1313;1326;1327;Br1915","F1076;1085;1097;FBr1102;1104","A.Jouanneaux,A.N.Fitch,J.K.Cockcroft,Mol.Phys.,71,45,1992","nd","KUYJOD","CBrF3;bromotrifluoromethane")
mo("CIF3-1",8,",C;F1257;1258;I2112","F1075;IF1113;1114","S.J.Clarke,J.K.Cockcroft,A.N.Fitch,Z.Kristallogr.,206,87,1993","nd","PEPGUM","CIF3;trifluoroiodomethane")
mo("CCl2F2-1",8,",C;F1334;Cl1765","F1077;FCl1093;1095;Cl1115","J.K.Cockcroft,A.N.Fitch,Z.Kristallogr.,197,121,1991","nd","SOPYUR","CCl2F2;dichlorodifluoromethane")
mo("C2H6-1",8,",C;H1096;C1532","H1071;1083;HC1089;1095;H1114;HC1118","G.J.H.van Nes,A.Vos,ACB,34,1947,1978","x","ETHANE01","C2H6;ethane")
mo("C_ROLSIU",-8,"M,C;C1518;1525;1542","C1039;1067;1093;1096;1132;1136",".I_ROLSIU","x","ROLSIU","C11H24N1+;1,1,3,3,5,5-hexamethylpiperidinium cation")
mo("CALUMCEB",-8,"M,Ca;N2412;2426;2437;O2106","N798;842;854;NO1205;1323;1368","M.H.Chisholm,J.Gallucci,K.Phomphrai,'Chem.Commun. ',,48,2003","x","LUMCEB","Ca(C12H17O)[BH(C7H11N2)3];(2,6-diisopropylphenoxy)-(hydrogen tris(3-t-butylpyrazolyl)borate)-calcium")
mo("CAMONXOC",-8,"M,Ca;N2461;2466;P2824;2826","N1124;NP833;843;1197;1215;P1378","S.Blair,K.Izod,W.Clegg,'Inorg.Chem. ',41,3886,2002","x","MONXOC","Ca[(C9H12N)(C7H19Si2)P]2;bis(2-dimethylaminomethylphenyl (bis(trimethylsilyl)methyl)phosphino)-calcium")
mo("CANEYHUU",-8,"M,Ca;N2294;2309;O2369;2385","N1212;NO924;970;1312;1314;O814","M.Westerhausen,M.Hartmann,N.Makropoulos,B.Wieneke,M.Wieneke,W.Schwarz,D.Stalke,'Z.Naturforsch.,B:Chem.Sci. ',53,117,1998","x","NEYHUU","(C4H8O)2Ca(C6H18NSi2)2;bis(tetrahydrofuran)-bis(bis(trimethylsilyl)amino)-calcium")
mo("CAEFOJIS",-16,"M,Ca;O2314;2327;2342","O879;890;910;921;1800","S.Harder,F.Feil,T.Repo,'Chem.-Eur.J. ',8,1991,2002","x","EFOJIS","(C4H8O)6Ca2+;hexakis(tetrahydrofuran)-calcium cation")
mo("CAFESPOI",-16,"M,Ca;N2576;2577;2595;2603","N640;648;649;766;770;777;1023;1030;1034;1151;1152;1160;1800","A.Hazell,J.McGinley,H.Toftlund,'J.Chem.Soc.,Dalton Trans. ',,1271,1999","x","FESPOI","[((C5H4N)CH2)3N]2Ca2+,ClO4-;bis(tris(2-pyridylmethyl)amine)-calcium cation with perchlorate anion")
mo("CAMAYKEC",-16,"M,Ca;O2334;2340;2358","O883;888;894;906;912;917;1800","K.M.Fromm,G.Bernardinelli,M.-J.Mayor-Lopez,J.Weber,H.Goesmann,'Z.Anorg.Allg.Chem. ',626,1685,2000","x","MAYKEC","(C4H8O)4(H2O)2Ca2+;trans-diaqua-tetrakis(tetrahydrofuran)-calcium cation")
mo("CATAQQEH",-16,"M,Ca;I3078;N2478;2498","I1010;IN888;948;1071;1601;N656;876;892;1455","B.W.Skelton,A.F.Waters,A.H.White,'Aust.J.Chem. ',49,99,1996","x","TAQQEH","(C10H8N2)2CaI2;bis(2,2'-bipyridine)-cis-diiodo-calcium(II)")
mo("CAVEBGUE",-16,"M,Ca;O2289;2333;2344","O850;862;938;950;1800","L.B.Cole,E.M.Holt,'Inorg.Chim.Acta ',162,291,1989","x","VEBGUE","(C6H6NO)2(H2O)4Ca2+,Cl1-;tetraaqua-bis(isonicotinamide-O)-calcium cation with chloride anion")
mo("CACAKTAK",-22,"M,Ca;I3090;3139;O2415;2434;2442;2465;2467","I1765;IO829;841;853;855;866;915;919;938;975;1006;O669;681;690;782;807;1350;1423;1435;1456;1484","K.M.Fromm,'CrystEngComm ',4,318,2002","x","CAKTAK","(C6H14O3)(C4H10O2)CaI2;diiodo-(diglyme)-(1,2-dimethoxyethane)-calcium")
mo("1cllsite",-22,",Ca;O2346;238;2393;2416;2426;2499;2624","515;723;755;804;808;839;841;848;854;885;905;946;1035;1079;1228;1242;1509;1515;161;1668","(see PDB file)","x","1cll","Ca2+ (enzyme);calcium ion in calmodulin (human)")
mo("CAECOQ~1",-26,"M,Ca;O2377;2394;2400;2402;2403;2417;2454;2504","O668;673;678;683;686;689;700;709;810;813;824;830;863;874;903;919;1034;1056;1063;1070;1377;1381;1389;1391;1478;1504;1518;1523","T.Akutagawa,N.Takamatsu,K.Shitagami,T.Hasegawa,T.Nakamura,T.Inabe,W.Fujita,K.Awaga,'J.Mater.Chem. ',11,2118,2001","x","ECOQUI01","(C8H16O4)2Ca2+;bis(12-crown-4)-calcium cation")
mo("CAKUGPEH",-28,"M,Ca;O2385;2410;2414;2418;2449;2450;2459;2472","O652;653;657;667;668;671;791;796;798;817;842;846;855;857;882;886;943;944;1292;1302;1311;1315;1318;1396;1412;1614;1630","R.D.Rogers,A.H.Bond,ACSC,48,1782,1992","x","KUGPEH","(C6H14O2)2Ca2+, Cl1-, H2O;bis(triethylene glycol)-calcium cation with chloride anion and water")
mo("CATAQMUT",-28,"M,Ca;N2556;2608","N666;684;803;820;862;978;1319;1344;1348;1586","A.F.Waters,A.H.White,'Aust.J.Chem. ',49,61,1996","x","TAQMUT","C8H32Ca1N82+,2(Br11-);tetrakis(ethylenediamine)-calcium(II) cation with bromide anion")
mo("CAECORAP",-33,"M,Ca;O2550;2577;2618;2619;2633;2638;2643;2663;2744;2869","O567;580;594;605;608;610;613;619;630;668;674;687;696;705;726;732;753;757;804;992;1040;1050;1054;1066;1080;1119;1130;1157;1164;1173;1184;1192;1193;1216;1228;1231;1232;1247;1703;1715;1737;1740;1746",".CAECOQ~1","x","ECORAP","C20H40Ca1O102+;bis(15-crown-5)-calcium cation")
mo("CAJEKTUO",-47,"M,Ca;C2597;2614;2626;2636;2642;2643;2647;2650;2651;2654","C306;307;310;311;312;314;315;318;509;511;514;515;516;517;520;954;1015;1032"+";1081;1131;1172;1192;1232;1269;1316;1318;1387;1398;1433;1443;1468;1469;1520;1535;1549;1580;1604;1682;1683","R.A.Williams,T.P.Hanusa,J.C.Huffman,'Organometallics ',9,1128,1990","x","JEKTUO","Ca(C10H15)2;bis(MCP)-calcium")
mo("CDBEPWUO",-8,"M,Cd;Cl2398;O2198","Cl1268;ClO1045;1073;O1045","L.Hiltunen,M.Leskela,S.P.Sinha,'Cryst.Struct.Commun. ',11,119,1982","x","BEPWUO","[(CH3NCH3)3PO]2CdCl2;dichloro-bis(hexamethylphosphoramide)-cadmium(II)")
mo("CDDIPXAB",-9,"M,Cd;N2180;2182;2188;2195","849;861;862;867;1493;1494","A.Hazell,ACSC,42,296,1986","x","DIPXAB","C44H28N4Cd;(5,10,15,20-tetraphenylporphinato)-cadmium(II)")
mo("CDCOPGOD",-16,"M,Cd;I2969;N2368;2454","I1800;IN900;N900;1800","M.Ito,T.Shibata,Y.Saito,ACSC,40,2041,1984","x","COPGOD","(C5H5N)4CdI2;trans-diiodo-tetrakis(pyridine)-cadmium(II)")
mo("CDFUYFUA",-30,"M,Cd;Br2506;O2752","Br1800;BrO869;931;O603;1197;1800","A.Hazell,ACSC,44,88,1988","x","FUYFUA","(C12H24O6)CdBr2;dibromo-(18-crown-6)-cadmium(II)")
mo("CEREXHEH",-8,"M,Ce;Cl2597;N2217","ClN995;N1173","O.Eisenstein,P.B.Hitchcock,A.G.Hulkes,M.F.Lappert,L.Maron,'Chem.Commun. ',,1560,2001","x","REXHEH","Ce[N((CH3)3Si)2]3Cl;chloro-tris(bis(trimethylsilyl)amido)-cerium(IV)")
mo("CECLCA~1",-16,"M,Ce;Cl2594;2605;2619","Cl883;895;900;905;917;1800","V.M.Agre,Yu.M.Kiselev,'Zh.Neorg.Khim.(Russ.)(Russ.J.Inorg.Chem.) ',28,597,1983","x","CLCAME01","Ce1Cl62-;hexachloro-cerium(IV) anion")
mo("CEVOMD~1",-26,"M,Ce;O2293;2296;2306;2316;2330;2335;2336;2340","O696;699;706;735;737;750;758;760;767;791;797;819;824;1065;1111;1162;1182;1394;1403;1410;1413;1439;1447;1450;1455","M.J.Delarosa,K.S.Bousman,J.T.Welch,P.J.Toscano,'J.Coord.Chem. ',55,781,2002","x","VOMDUW02","Ce(C11H19O2)4;tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato)-cerium(IV)")
mo("CEAFURUO",-26,"M,Ce;O2372;2390;2393;2423;2518;2528;2583;2630","O670;673;695;710;713;735;757;758;760;770;788;789;793;797;857;933;950;1031;1263;1322;1343;1356;1377;1395;1429;1430;1457;1499","N.J.Hill,Lai-Shi Leung,W.Levason,M.Webster,ACSC,58,m295,2002","x","AFURUO","[(CH3)3PO]4(H2O)4Ce3+, H2O;tetraaqua-tetrakis(trimethylphosphine oxide)-cerium(III) cation with water")
mo("CEDURLUX",-26,"M,Ce;N2467;2468;2474;2475;2476;2483","N710;715;716;720;721;722;727;773;782;784;786;810;814;1118;1120;1128;1131;1397;1403;1405;1409;1448;1450;1460;1461","J.W.Buchler,A.de Cian,J.Fischer,M.Kihn-Botulinski,H.Paulus,R.Weiss,'J.Am.Chem.Soc. ',108,3652,1986","x","DURLUX","Ce(C36H44N4)2;bis(1,2,3,4,5,6,7,8-octaethylporphyrinato)-cerium(IV)")
mo("CEGOVNEK",-28,"M,Ce;O2253;2289;2306;2311;2386;2400;2464;2469","O658;659;666;675;722;729;747;776;804;809;812;817;850;853;860;986;1003;1232;1266;1351;1365;1366;1382;1392;1541;1573","Jide Xu,E.Radkov,M.Ziegler,K.N.Raymond,'Inorg.Chem. ',39,4156,2000","x","GOVNEK","Ce(C6H6NO2)4;tetrakis(1-methyl-3-oxy-2(1H)-pyridinone-O,O')-cerium(IV)")
mo("CEYECNOJ",-31,"M,Ce;Cl2890;N2643;2657;O2499;2530;2559","ClN716;825;ClO731;1381;1399;N620;1239;NO683;763;764;789;1253;1278;1391;1461;O670;684;703;742;1067;1345","C.J.Kepert,Lu Weimin,B.W.Skelton,A.H.White,'Aust.J.Chem. ',47,365,1994","x","YECNOJ","(C15H11N3)(H2O)5CeCl2+, H2O;pentaaqua-chloro-(2,2':6,2''-terpyridine)-cerium(III) cation with chloride anion and water")
mo("CEBUVW~1",-32,"M,Ce;O2490;2491;2594;2595","O661;727;753;902;903;1200;1346;1347;1387","A.Chatterjee,E.N.Maslen,K.J.Watson,'Acta Crystallogr.,Sect.B:Struct.Sci. ',44,381,1988","x","BUVWEU01","(H2O)9Ce3+;nonaaqua-cerium(III) cation")
mo("CEZEQQER",-36,"M,Ce;I3156;3186;3192;O2478;2488;2496","I812;1235;1553;IO737;759;765;779;796;803;806;851;1114;1151;1333;1361;O730;750;789;1229;1470;1474","D.M.Barnhart,T.M.Frankcom,P.L.Gordon,N.N.Sauer,J.A.Thompson,J.G.Watkin,'Inorg.Chem. ',34,4862,1995","x","ZEQQER","(C3H7OH)4CeI3;triiodo-tris(isopropanolato-O)-cerium(III)")
mo("CEHURRAN",-38,"M,Ce;O2475;2492;2502;2561;2590","O612;614;717;745;778;790;797;849;850;862;1188;1206;1219;1227;1318;1375;1433;1435;1538","T.Behrsing,G.B.Deacon,C.M.Forsyth,M.Forsyth,B.W.Skelton,A.H.White,'Z.Anorg.Allg.Chem. ',629,35,2003","x","HURRAN","Ce(C4H4O5)33-;tris(oxydiacetato)-cerium(III) anion")
mo("CEXONYAA",-38,"M,Ce;N2613;2626;2656;2667;2695","N611;620;623;704;725;750;787;799;841;845;853;1182;1222;1237;1243;1388;1400;1423;1450;1454","J.-C.Berthet,Y.Miquel,P.B.Iveson,M.Nierlich,P.Thuery,C.Madic,M.Ephritikhine,'J.Chem.Soc.,Dalton Trans. ',,3265,2002","x","XONYAA","(C15H11N3)3Ce3+;tris(2,2':6',2''-terpyridine)-cerium(III) cation")
mo("CEKUXZIM",-39,"M,Ce;Cl2858;O2548;2574;2582;2587;2610;2661;2688;2737;2745","ClO698;727;741;765;766;1225;1307;1338;1387;O599;602;605;609;610;614;645;647;663;695;708;710;714;727;746;756;787;874;893;1035;1056;1141;1166;1194;1212;1220;1239;1264;1270;1305;1407;1431;1437;1449;1464;1673","R.D.Rogers,R.D.Etzenhouser,J.S.Murdoch,'Inorg.Chim.Acta ',196,73,1992","x","KUXZIM","(C6H14O4)2(H2O)CeCl2+,Cl-;aqua-chloro-tris(triethylene glycol)-cerium(III) cation with chloride")
mo("CEGETLOG",-43,"M,Ce;C2730;2732;2750;2772;2797;O2245;2257","C291;297;298;299;302;487;488;491;493;496;CO771;799;961;1039;1058;1084;1164;1253;1353;1443;O1352","H.J.Heeres,A.Meetsma,J.H.Teuben,'Chem.Commun. ',,962,1988","x","GETLOG","Ce(C10H15)(C14H21O)2;bis(2,6-di-t-butylphenoxy)-(MCP)-cerium(III)")
mo("CECOCTCE",-45,"M,Ce;C2690;2699;2701;2703;2714;2718;2721;2735;Cl2855;2935;O2577;2588","C293;294;295;296;298;300;301;307;559;563;565;566;567;568;576;764;767;771;774;843;844;847;CCl788;849;883;929;947;993;1062;1158;1188;1221;1350;1441;1484;1516;1613;1718;CO747;834;844;855;893;955;1085;1099;1105;1202;1383;1388;1392;1508;1591;1660;Cl734;ClO719;765;1041;1219;O690","K.O.Hodgson,K.N.Raymond,'Inorg.Chem. ',11,171,1972","x","COCTCE","[(C4H8O)2Ce(C8H8)Cl]2;bis(/m~2~-chloro)-bis(/h^8^-cyclooctatetraene-bis(tetrahydrofuran)-cerium)")
mo("CEKIXXOE",-47,"M,Ce;C2670;2671;2676;2681;2688;2693;2695;2698;2699;2700;2701;2703;2705;2707;2712","C296;297;300;301;302;303;304;305;306;308;567;568;570;572;573;574;575;576;577;579;580;582;586;771;773;774;775;778;779;780;781;783;789;794;850;853;854;856;858;861;863;867;907;916;932;934;935;953;957;973;978;982;988;989;1011;1017;1025;1037;1041;1046;1059;1073;1087;1095;1102;1117;1121;1140;1150;1171;1174;1190;1198;1274;1279;1281;1302;1311;1318;1328;1381;1386;1396;1416;1420;1435;1441;1452;1558;1563;1575;1593;1604;1609;1681;1688;1689;1701;1716;1721;1736;1742","T.R.Boussie,D.C.Eisenberg,J.Rigsbee,A.Streitwieser,A.Zalkin,'Organometallics ',10,1922,1991","x","KIXXOE","Ce(C9H10)2;bis(/h^8^-methyl-cyclooctatetraene)-cerium(IV)")
mo("CEKEDCAX",-52,"M,Ce;C2705;2716;2746;2749;2760;2766;2784;2788;2795;2802;2803;2804;2823;2826;2844;2848","C224;268;269;272;273;274;276;279;280;283;287;288;293;420;431;443;447;449;450;453;458;460;461;463;467;723;744;753;755;759;771;786;788;790;793;826;837;839;851;861;880;884;924;931;933;955;970;972;982;991;997;1001;1005;1011;1033;1036;1060;1061;1065;1067;1080;1105;1110;1111;1117;1121;1137;1144;1147;1153;1160;1175;1187;1188;1190;1195;1198;1204;1210;1214;1217;1224;1233;1236;1242;1248;1253;1257;1258;1274;1281;1284;1287;1303;1312;1340;1365;1372;1387;1414;1431;1463;1486;1510;1511;1525;1528;1553;1576;1603;1658","S.D.Stults,R.A.Andersen,A.Zalkin,'Organometallics ',9,115,1990","x","KEDCAX","[(CH3)3CNC]Ce(C6H7)3;tris(eta5-methylcyclopentadienyl)-(t-butylisocyanide)-cerium(III)")
mo("Cl2A",-1,"M,Cl;Cl198","","J.Donohue,S.H.Goodman,Acta Cryst.,1965,18,568","x","","Cl2;dichlorine")
mo("HCl",1,",Cl;H1275","",".HBr","zz","","HCl;hydrogen chloride")
mo("Cl3-1",2,",Cl;Cl2182;2394","1777","R.T.Boere,A.W.Cordes,R.T.Oakley,R.W.Reed,JCS,Chem.Comm.,,655,1985","x","CUPTIQ","Cl31-;trichloride anion")
mo("Cl3-2",2,",Cl;Cl2248;2338","1775","T.Chivers,J.F.Richardson,N.R.M.Smith,IOC,24,2453,1985","x","DEGLIK",".Cl3-1;")
mo("ClO2-",3,",Cl;O1657","1095","C.Tarimci,R.D.Rosenstein,E.Schempp,ACB,32,610,1976","x","","ClO21-;chlorite anion")
mo("ClO2-W",3,",Cl;O163","1095","A.H.Clark,B.Beagley,JCS A,46,1970","ed","",".ClO2-;")
mo("chlorate1",6,"CHLORA~1,Cl;O1276;1384;1419","857;1039;1082","P.S.Gentile,A.P.Ocampo,Inorg.Chim.,Acta,29,83,1978","x","DACMCB","ClO31-;chlorate anion")
mo("chlorate2",6,"CHLORA~2,Cl;O1449;1455","1062;1083","J.Mitchell,J.C.A.Boeyens,ACB,26,1121,1970","x","THURTL",".chlorate1;")
mo("F-CLO3F",-8,",Cl;F1619;O1404","OF1008;O1166","A.A.Maryott,S.J.Kryder,JCP,27,1221,1957","ed,mw","","ClO3F;chlorine trioxyfluoride")
mo("perchlorate1",8,"PERCHL~1,Cl;O1442;1445;1452","104;107;1093;1103;1127;1135","L.Kh.Minacheva,A.S.Antsyshkina,M.A.Porai-Koshits,Zh.Strukt.Khim.,15,478,1974","x","ANIENP","ClO41-;perchlorate anion")
mo("perchlorate2",8,"PERCHL~2,Cl;O1365;1399;1415;1425","1062;1067;1101;1103;1115;1119","L.L.Koh,K.Eriks,ACB,27,1405,1971","x","APCRBP10",".perchlorate1;")
mo("ClF3",11,",Cl;F1598;1698","87;174","R.D.Burbank,F.N.Bensey,JCP,21,602,1953 and D.F.Smith,JCP,21,609,1953","x","","ClF3;chlorine trifluoride")
mo("CoCl4",8,",Co;Cl2242;2269;2275;2286","1037;1072;1074;1125;1135","U.Schubert,B.Zimmer-Gasser,K.C.Dash,G.R.Chaudhury,Cryst.Struct.Commun.,10,239,1981","x","EDCHCO","CoCl42-;tetrachlorocobalt(II) anion")
mo("Co(NCS)4-1",8,"CO(NCS~1,Co;N1928;1954;1959;1965","1051;1057;1079;1081;1112;1189","W.J.Rohrbaugh,R.A.Jacobson,ACB,33,3254,1977","x","ENICON","Co(NCS)42-;tetrakis(thiocyanato-N)cobalt(II) anion")
mo("coco4-1",8,",Co;C1725;1727;1734;1737","1064;1071;1092;1103;1113;1123","G.Doyle,D.Van Engen,JOMC,280,253,1985","x","CUGWOQ","Co(CO)41-;cobalt tetracarbonyl anion")
mo("coco4-2",8,",Co;C1659;1677;1757;1772","1045;1092;1097;1106;111;1118","W.J.Evans,I.Bloom,J.W.Grate,L.A.Hughes,W.E.Hunter,J.L.Atwood,IOC,24,4620,1985","x","DOXFUR",".coco4-1;")
mo("coco4-3",8,",Co;C1723;1753;1754;1759","1075;1079;109;1093;1105;1126","G.Fachinetti,G.Fochi,T.Funaioli,P.F.Zanazzi,Angew.Chem.,Int.Ed.Engl.,26,680,1987","x","FOGNIY",".coco4-1;")
mo("Cophthal",9,",Co;N1915;1916","89;91;180","P.A.Reynolds,B.N.Figgis,E.S.Kucharski,S.A.Mason,ACB,47,899,1991","nd","COPTCY06","Co(C32H16N8);phthalocyaninato-cobalt(II)")
mo("Co2porph-1",9,"CO2POR~1,Co;N1948","90;1784","E.D.Stevens,JACS,103,5087,1981","x","TPORCP11","Co(C44H28N4);(meso-tetraphenylporphinato)-cobalt(II)")
mo("COBIFNEJ",-13,"M,Co;C1764;1765;1803;Ge2282;2294","C1187;1198;1214;CGe865;892;896;897;926;927;Ge1744","D.N.Duffy,K.M.Mackay,B.K.Nicholson,R.A.Thomson,'J.Chem.Soc.,Dalton Trans. ',,1029,1982","x","BIFNEJ","[(CO)3Co]7Ge21-;(bis(nonacarbonyl-triangulo-tricobaltio-germanio))-cobalt")
mo("fCoN3Cl3",16,",Co;N1967;1976;2009;Cl2243;2277;2309","NCl843;857;875;888;891;90;903;Cl91;912;NCl925;N931;968;1698;Cl1774;NCl1781","E.K.Barefield,A.M.Carrier,D.G.VanDerveer,Inorg.Chim.,Acta,42,271,1980","x","AMPRCO","(C6H17N3)CoCl3;mer-trichloro-(N-(3-aminopropyl)-1,3-propanediamine)-cobalt(III)")
mo("cCoen2Cl2",16,"CCOEN2~1,Co;N1975;1977;2008;2023;Cl2227;2264","N858;859;NCl869;871;N892;904;NCl916;Cl919;NCl92;921;925;N947;NCl1755;N1763;NCl1779","K .Matsumoto,S.Ooi,H.Kuroya,J.Chem.Soc.Jpn.,Pure Chem.,89,167,1968","x","CLECOC01","(C2H8N2)2CoCl21+;cis-dichloro-bis(ethylenediamine)cobalt(III) cation")
mo("tCoen2Cl2",16,"TCOEN2~2,Co;N1946;1961;Cl2242;2247","N858;86;NCl882;895;896;901;903;907;908;909;N926;956;1781;Cl1783;N","A.S.Foust,V.Janickis,IOC,19,1048,1980","x","CENCOS","(C2H8N2)2CoCl21+~;trans-dichloro-bis(ethylenediamine)cobalt(III) cation")
mo("tCoen2Cl2b",16,"TCOEN2~3,Co;N1951;1959;Cl2257","N859;NCl888;893;907;912;N941;180;Cl","J.Roziere,J.M.Williams,IOC,15,1174,1976","nd","ETDCOH11",".tCoen2Cl2;")
mo("tCoen2Br2",16,"TCOEN2~1,Co;N1996;2014;Br2438","N872;NBr889;891;909;911;N928;180;Br","S.Ooi,Y.Komiyama,Y.Saito,H.Kuroya,Bull.Chem.Soc.Jpn.,32,263,1959","x","ETDCOB","(C2H8N2)2CoBr21+;trans-dibromo-bis(ethylenediamine)cobalt(III) cation")
mo("Co3porph-3",16,"CO3POR~1,Co;N195;1955;1958;O1978;Cl2216","ON875;887;N894;ON895;897;N901;903;NCl904;908;913;922;N177;1783;OCl179","Y.Iimura,T.Sakurai,K.Yamamoto,Bull.Chem.Soc.Jpn.,61,821,1988","x","GAMTAP","(H2O)Co(C44H28N4)Cl;aqua-chloro-meso-tetraphenylporphyrinato-cobalt(III)")
mo("COCEPC~1",-16,"M,Co;S2251;2291;2479","S878;888;899;901;912;922;1800","J.A.R.Hartman,E.J.Hintsa,S.R.Cooper,'J.Am.Chem.Soc. ',108,1208,1986","x","CEPCEF10","(C12H24S6)Co2+;meso-(hexathia-18-crown-6)-cobalt(II) cation")
mo("Co3porph-2",15,"CO3POR~3,Co;N1984;Cl215","N90;NCl916;N1768","T.Sakurai,K.Yamamoto,H.Naito,N.Nakamoto,Bull.Chem.Soc.Jpn.,49,3042,1976","x","CTPOCO","Co(C44H28N4)Cl;chloro-tetraphenylporphyrinato-cobalt(III)")
mo("cocp2-1",-47,",Co;C2085;2097;2099;2108;2111","388;393;396;397;657;658;659;664;1136;1141;1142;1143;1403;1404;1407;1412;180","M.Yu.Antipin,R.Boese,N.Augart,G.Schmid,Struct.Chem.,4,91,1993","x","DCYPCO04","Co(C5H5)2;bis(CP)cobalt(II) (cobaltocene)")
mo("chromate1",8,"CHROMA~1,Cr;O1624;1628;164","1083;1088;1092;1095;1098;1112","C.de Brauer,M.Jannin,R.Puget,R.Perret,ACC,47,2231,1991","x","VOBMII","CrO42-;chromate anion")
mo("chromate2",8,"CHROMA~2,Cr;O1629;1641;1652;1659","1086;1087;1093;1094;1098;1109","M.Cygler,M.J.Grabowski,A.Stepien,E.Wajsman,ACB,32,2391,1976","x","GUACRO10",".chromate1;")
mo("dichrom1",8,",Cr;O1617;1625;163;1782","1076;1084;1095;110;1104;1109","P.A.Lorenzo-Luis,P.Martin-Zarza,P.Gili,J.M.Arrieta,G.Germain,L.Dupont,ACC,51,1073,1995","x","YUHLIW","Cr2O72-;dichromate anion")
mo("dichrom3",8,",Cr;O160;1608;1617;1793","1055;1086;109;1096;1104;1136","M.R.Pressprich,R.D.Willett,R.M.Sheets,W.W.Paudler,G.L.Gard,ACC,46,1635,1990","x","VETSIW",".dichrom1;")
mo("dichrom5",8,",Cr;O1596;160;1636;1801","1043;1083;1093;1103;1111;1132","J.Pecaut,R.Masse,ACB,49,277,1993","x","LABXAN",".dichrom1;")
mo("crco6-1",16,",Cr;C189;1909;191;1928","894;895;898;899;90;908;1789;1793","A.Whitaker,J.W.Jeffery,Acta Cryst.,23,977,1967","x","FOHCOU","(CO)6Cr;hexacarbonylchromium(0) (chromium hexacarbonyl)")
mo("cCren2F2",16,",Cr;F1882;1883;N2072;2083;2094;2099","827;83;NF869;873;905;917;92;924;N927;F935;N936;941;NF1747;N1752;NF1753","J.V.Brencic,I.Leban,I.Polanc,ACC,43,885,1987","x","FEZXUD","(C2H8N2)2CrF21+;cis-bis(ethylenediamine)difluorochromium(III) cation")
mo("tCren2F2",16,",Cr;F1889;N2054;2099","84;NF887;89;91;913;N96;180;F","J.V.Brencic,I.Leban,Z.Anorg.Allg.Chem.,480,213,1981","x","BAVGOU","(C2H8N2)2CrF21+~;trans-bis(ethylenediamine)difluorochromium(III) cation")
mo("mCrpyr3Cl3",16,"MCRPYR~1,Cr;N2107;2111;Cl232;2322;2323","NCl885;N;892;NCl895;897;901;905;906;Cl91;NCl917;Cl921;1768;N1777;NCl1789","S.A.Howard,K.I.Hardcastle,J.Crystallogr.Spectrosc.Res.,15,643,1985","x","QQQFYV01","(C5H5N)3CrCl3;mer-trichloro-tris(pyridine-N)chromium(III)")
mo("crcp2-1",-47,",Cr;C2136;2144;2147;2156;2172","375;378;38;382;387;632;634;636;638;641;1159;1162;1164;1166;1168;1413;1418;142;1422;1425;180","K.R.Flower,P.B.Hitchcock,JOMC,507,275,1996","x","CYCPCR01","Cr(C5H5)2;bis(CP)chromium(II) (chromocene)")
mo("CSCL",-1,"M,Cs;Cl306","","TID","ed","","CsCl;cesium chloride")
mo("CSBR",-1,"M,Cs;Br314","","TID","ed","","CsBr;cesium bromide")
mo("CSI",-1,"M,Cs;I341","","TID","ed","","CsI;cesium iodide")
mo("CSJUFWUC",-6,"M,Cs;N2915","868","K.F.Tesh,B.D.Jones,T.P.Hanusa,J.C.Huffman,'J.Am.Chem.Soc. ',114,6590,1992","x","JUFWUC","[Cs(NSi(CH3)3)]4;tetrakis(/m~3~-trimethylsilylamido)-tetracesium cubane")
mo("CSFUJCUI",-35,"M,Cs;O3112;3179;3185;3197;3253;3281;3284;3332;3444;3486;3502;3516","O495;496;497;498;504;510;515;518;530;537;692;695;700;701;703;706;719;731;788;791;803;804;878;882;896;903;938;952;959;960;961;976;991;999;1005;1010;1072;1080;1087;1088;1091;1093;1098;1185;1188;1205;1210;1363;1370;1397;1406;1412;1491;1495;1503;1506;1573;1574;1657;1685","R.H.Huang,D.L.Ward,M.E.Kuchenmeister,J.L.Dye,'J.Am.Chem.Soc. ',109,5561,1987","x","FUJCUI","(C12H24O6)2Cs1+, Cs1-;is(18-crown-6)cesium cation with  ceside anion")
mo("CSCSTHXD",-36,"M,Cs;N3300;O3035;3041;3098;3161;3271;3274","NO789;850;1077;1126;1445;1498;O521;523;533;539;544;947;971;982;1039;1048;1057;1251;1256;1266","M.Dobler,R.P.Phizackerley,ACS B,30,2748,1974","x","CSTHXD","(C12H24O6)Cs1+, NCS1-;(18-crown-6)-cesium cation with thiocyanate anion")
mo("CSHITHIB",-39,"M,Cs;O3044;3059;3074;3257;3269","518;525;534;539;752;754;788;802;823;830;832;1007;1042;1043;1046;1047;1048;1080;1202;1272;1285;1504;1533;1560;1797","C.Nather,H.Bock,Z.Havlas,T.Hauck,'Organometallics ',17,4707,1998","x","HITHIB","(C10H22O5)2Cs1+, C20H121-;bis(tetraglyme)-cesium perylenide radical")
mo("cupph33-1",4,"CUPPH3~1,Cu;P2293;2296;2297","1175;120;1226","G.Doyle,K.A.Eriksen,D.Van Engen,Organometallics,4,2201,1985","x","DEZYUC","[P(C6H5)3]3Cu1+;tris(TPP)copper(I) cation")
mo("cucl4-1",8,",Cu;Cl222;2259","945;947;986;1435","A.C.Bonamartini,M.Nardelli,C.Palmieri,C.Pelizzi,ACB,27,1775,1971","x","AEBZTZ","CuCl42-;tetrachlorocopper(II) anion")
mo("cucl4-3",8,",Cu;Cl2234;2248;2251;2335","898;90;915;918;1663;1666","L.Antolini,L.Menabue,G.C.Pellacani,M.Saladini,G.Marcotrigiano,Inorg.Chim.,Acta,58,193,1982","x","BEGZES",".cucl4-1;")
mo("cucl4-4",8,",Cu;Cl2226;2247;2249;2254","968;992;999;1011;1325;133","G.R.Newkome,V.K.Majestic,F.R.Fronczek,Inorg.Chim.,Acta,77,L47,1983","x","BIHCIE10",".cucl4-1;")
mo("cucl4-5",8,",Cu;Cl2219;223;2241;2301","956;988;99;1027;1332","R.B.Von Dreele,J.Harris,ACC,39,170,1983","x","BOLTAX",".cucl4-1;")
mo("cucl4-7",8,",Cu;Cl2222;2225;2264;2271","954;983;986;988;132;141","A.Obata,H.Kawazura,H.Miyamae,ACC,40,45,1984","x","CATMUF01",".cucl4-1;")
mo("cucl4-8",8,",Cu;Cl2234;2235;2257;2264","956;988;99;1017;1306;1371","V.Fernandez,M.Moran,J.C.Doadrio,E.Conradi,W.Willing,U.Muller,Z.Naturforsch.,Teil B,42,15,1987","x","FIPBEL",".cucl4-1;")
mo("7pcysite",8,",Cu;N1895;S2119;N217;S2917","SN897;1023;N1044;S1081;SN1203;1253","(see PDB file)","x","7pcy","Cu (enzyme);copper, type 1 (blue); plastocyanin; green algae")
mo("1aozsite_2",8,"1AOZSI_2,Cu;O1995;N2057;2066;216","968;ON985;994;N1009;108;ON1494","(see PDB file)","x","1aoz","Cu (enzyme)~;copper, types 1 , 2, and 3; ascorbate oxidase; zucchini")
mo("1aozsite_3",8,"1AOZSI_3,Cu;N1982;O2056;N2138;2192","ON851;911;N942;1088;1145;ON1582","(see PDB file)","x","1aoz","Cu (enzyme)~~;copper, types 1 , 2, and 3; ascorbate oxidase; zucchini")
mo("1aozsite_4",8,"1AOZSI_4,Cu;N2052;2095;S2133;2899","SN961;971;N1004;S1032;SN1225;1293","(see PDB file)","x","1aoz","Cu (enzyme)~~~;copper, types 1 , 2, and 3; ascorbate oxidase; zucchini")
mo("cucl4-2",9,",Cu;Cl2272;2306","896;904;180","Y.P.Mascarenhas,I.Vencato,L.Tosi,J.Crystallogr.Spectrosc.Res.,17,633,1987","x","AMUDCU10",".cucl4-1;")
mo("cucl4-6",9,",Cu;Cl2241;2314","898;902;180","L.P.Battaglia,A.B.Corradi,G.Marcotrigiano,L .Menabue,G.C.Pellacani,IOC,21,3919,1982","x","BOPWUY",".cucl4-1;")
mo("1aozsite_1",11,"1AOZSI_1,Cu;N2003;O2024;N2088","ON925;933;N1725","(see PDB file)","x","1aoz","Cu (enzyme)~~~~;copper, types 1 , 2, and 3; ascorbate oxidase; zucchini")
mo("2azasite",13,",Cu;N1937;1962;S2128;2953;O3203","ON695;782;SN79;958;SO100;N1032;S1129;SN1168;1359;SO1452","(see PDB file)","x","2aza","Cu (enzyme)~~~~~;copper, type 1 (blue); azurin; Alcaligenes denitrificans")
mo("CUDOFBAB",-16,"M,Cu;S2324;2402;2635","S858;876;895;905;924;942;1800","J.R.Hartman,S.R.Cooper,'J.Am.Chem.Soc. ',108,1202,1986","x","DOFBAB","(C12H24S6)Cu2+;(hexathia-18-crown-6)-copper(II) cation")
mo("DYPEPWOW",-13,"M,Dy;N2536;O2057;2062;2063","N1772;NO881;889;902;908;919;O1169;1209;1222","W.A.Herrmann,R.Anwander,W.Scherer,'Chem.Ber. ',126,1533,1993","x","PEPWOW","(CH3CN)2Dy(C9H19O)3;trans-bis(acetonitrile)-tris(di-t-butylmethoxy)-dysprosium(III)")
mo("DYGENHAI",-16,"M,Dy;Cl2558;2564;2704;2741;N2463","Cl799;867;930;936;938;949;966;1016;1607;1712;ClN787;840;862;881;1717","G.Crisci,G.Meyer,'Z.Anorg.Allg.Chem. ',624,927,1998","x","GENHAI","[(CH3CN)DyCl4]22-;bis(/m~2~-chloro)-bis(acetonitrilo)-hexachloro-didysprosate(III) anion")
mo("DYGUVMUF",-16,"M,Dy;O2239;2243;2246;2249","O874;876;888;889;890;900;904;908;918;921;929;1773;1782;1793","N.J.Hill,Lai-Shi Leung,W.Levason,M.Webster,'Inorg.Chim.Acta ',343,169,2003","x","GUVMUF","[(CH3)3PO]6Dy3+;hexakis(trimethylphosphine oxide)-dysprosium(III) cation")
mo("DYQEGZUX",-16,"M,Dy;Cl2599;2612;2616;2642;2681;2692","Cl856;874;876;880;885;897;903;921;924;936;941;1740;1748;1778","J.Hallfeldt,W.Urland,'Z.Anorg.Allg.Chem. ',627,545,2001","x","QEGZUX","DyCl63-;hexachloro-dysprosium anion")
mo("DYBUVX~1",-32,"M,Dy;O2364;2365;2520;2521","O666;722;752;753;903;904;1200;1346;1347;1387;1388","A.Chatterjee,E.N.Maslen,K.J.Watson,'Acta Crystallogr.,Sect.B:Struct.Sci. ',44,381,1988","x","BUVXIZ01","(H2O)9Dy3+;nonaaqua-dysprosium(III) cation")
mo("DYMANHOY",-39,"M,Dy;N2547;2598;O2292;2492;2715","N638;710;806;1364;NO653;714;735;747;761;1113;1199;1209;1290;1318;1429;1461;O485;644;709;745;800;1097;1287;1433;1732","V.E.Karasev,A.V.Gerasimenko,A.G.Mirochnik,I.N.Botova,N.V.Polyakova,'Koord.Khim.(Russ.)(Coord.Chem.) ',25,945,1999","x","MANHOY","(C12H8N2)2Dy(C5H7O2)(NO3)2;bis(1,10-phenanthroline)-(acetylacetonato)-bis(nitrato)-dysprosium(III)")
mo("DYDUFC~1",-49,"M,Dy;Br2860;2862;C2566;2582;2597;2599;2606;2610;2613;2614;2615;2623","Br844;BrC831;835;851;855;865;918;943;980;1001;1067;1078;1135;1142;1209;1244;1274;1299;1335;1340;1342;C282;295;297;301;302;305;306;316;483;485;488;492;494;500;501;504;511;784;862;887;957;1014;1077;1126;1127;1165;1175;1241;1244;1250;1275;1340;1349;1357;1378;1391;1430;1508;1610;1637;1664","H.Lueken,W.Lamberts,P.Hannibal,'Inorg.Chim.Acta ',132,111,1987","x","DUFCOW10","[Dy(C5H5)2Br]2;bis((/m~2~-Bromo)-bis(CP)-dysprosium)")
mo("DYHITTEJ",-51,"M,Dy;C2647;2651;2662;2663;2675;2724;2732;2733;2737;2751;2755;2766;2780","C295;296;297;298;304;305;306;307;487;488;489;490;503;504;505;506;727;735;738;739;741;820;824;827;830;840;943;948;955;960;964;970;1011;1022;1024;1026;1027;1030;1031;1032;1035;1041;1126;1128;1132;1134;1137;1144;1197;1199;1204;1212;1220;1224;1226;1227;1229;1247;1255;1260;1265;1270;1276;1296;1298;1299;1303;1306;1307;1308;1316;1319;1496;1510;1511;1513;1515;1590;1596;1600;1604;1612","Zuowei Xie,Kwoli Chui,Zhixian Liu,Feng Xue,Zeying Zhang,T.C.W.Mak,Jie Sun,'J.Organomet.Chem. ',549,239,1997","x","HITTEJ","Dy(C11H21Si2)3;tris(/h^5^-1,3-dimethylsilyl-cyclopentadienyl)-dysprosium")
mo("EREHEKUX",-13,"M,Er;C2392;2400;2423;O2348;2362;","C1099;1163;1338;CO874;892;897;904;919;O1777;","H.Schumann,D.M.M.Freckmann,S.Dechert,'Z.Anorg.Allg.Chem. ',628,2422,2002","x","EHEKUX","(C4H8O)2Er(C4H11Si)3;bis(tetrahydrofuran)-tris(trimethylsilylmethyl)-erbium(III)")
mo("ERDAKPIO",-16,"M,Er;Cl2606;2616;2621;","Cl856;885;887;898;902;917;969;1743;1775;","A.Becker,W.Urland,'J.Alloys and Compounds ',275,62,1998","x","DAKPIO","ErCl63-;hexachloro-erbium(III) anion")
mo("ERMUQJIR",-16,"M,Er;Cl2593;2603;2605;2617;N2484;","Cl892;907;919;928;1760;1765;ClN873;882;892;1779;","Jin-Shan Li,B.Neumuller,K.Dehnicke,'Z.Anorg.Allg.Chem. ',628,2785,2002","x","MUQJIR","(C5H5N)ErCl52-;pentachloro-pyridyl-erbium(III) anion")
mo("ERRIKTIO",-16,"M,Er;Cl2586;2598;O2294;","Cl880;920;1800;ClO891;900;909;O1800;","S.Anfang,M.Karl,N.Faza,W.Massa,J.Magull,K.Dehnicke,'Z.Anorg.Allg.Chem. ',623,1425,1997","x","RIKTIO","(C4H8O)2ErCl41-;tetrachloro-bis(tetrahydrofuran)-erbium(III) anion")
mo("ERRIKT~1",-22,"M,Er;Cl2554;O2351;2367;2383;","Cl1800;ClO855;857;900;943;945;O717;726;727;1433;1434;1437;","S.Anfang,M.Karl,N.Faza,W.Massa,J.Magull,K.Dehnicke,'Z.Anorg.Allg.Chem. ',623,1425,1997","x","RIKTIO","(C4H8O)5ErCl21+;dichloro-pentakis(tetrahydrofuran)-erbium(III) cation")
mo("ERAERE~1",-32,"M,Er;O2351;2352;2502;2503;2504;","O660;728;729;751;752;905;1200;1345;1387;1388;","R.E.Gerkin,W.J.Reppart,'Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. ',40,781,1984","x","AERETS02","(H2O)9Er3+;nonaaqua-erbiumI(III)")
mo("ERBOWXOA",-34,"M,Er;O2364;2409;2420;2466;2489;","O519;523;525;683;698;711;751;752;755;759;786;817;847;1079;1141;1173;1194;1226;1232;1300;1379;1508;1510;1511;1713;","W.Urland,E.Warkentin,'Z.Naturforsch.,B:Chem.Sci. ',38,299,1983","x","BOWXOA","Er(NO3)52-;pentanitrato-erbium(III) anion")
mo("ERBOBWAQ",-46,"M,Er;C2662;2664;2665;2668;2674;Cl2613;2620;O2351;2365;2452;","C300;301;302;305;495;499;500;501;CCl771;778;864;1007;1020;1168;1270;1278;CO769;804;807;936;938;1084;1089;1231;1233;1279;1529;1533;1539;1542;Cl1548;ClO770;779;862;869;877;884;O771;781;1552;","C.S.Day,V.W.Day,R.D.Ernst,S.H.Vollmer,'Organometallics ',1,998,1982","x","BOBWAQ","(C4H8O)4ErCl2(C5H5)3;(CP)-dichloro-tris(tetrahydrofuran)-erbium(III)")
mo("ERFOSXUG",-49,"M,Er;C2570;2580;2583;2585;2586;2592;2598;2599;2601;2614;Cl2661;","C295;297;300;302;303;307;308;311;317;492;499;500;502;504;505;506;508;771;905;937;943;944;969;1007;1164;1197;1201;1214;1230;1238;1247;1266;1286;1316;1404;1426;1431;1434;1473;1549;1698;1728;CCl809;819;821;852;932;955;971;973;981;1025;1047;1048;1235;1258;1265;1283;1288;1310;1318;1345;Cl821;","W.Lamberts,H.Lueken,B.Hessner,'Inorg.Chim.Acta ',134,155,1987","x","FOSXUG","[Er(C5H5)2Cl]2;bis((/m~2~-Chloro)-bis(CP)-erbium)")
mo("EUKENSEB",-16,"M,Eu;N2545;2571;O2552;2553;2590;2610;","N1098;NO839;871;884;898;932;958;1603;1629;O733;846;864;902;971;1756;","G.B.Deacon,C.M.Forsyth,B.M.Gatehouse,P.A.White,'Aust.J.Chem. ',43,795,1990","x","KENSEB","(C4H8O)4Eu(C12H8N2)2;cis-bis(carbazol-9-yl)-tetrakis(tetrahydrofuran)-europium(II)")
mo("EUMUQJEN",-16,"M,Eu;Cl2650;2663;2664;2672;N2559;","Cl891;906;908;925;926;1746;1769;ClN874;876;893;1782;","Jin-Shan Li,B.Neumuller,K.Dehnicke,'Z.Anorg.Allg.Chem. ',628,2785,2002","x","MUQJEN","(C5H5N)EuCl52-;pentachloro-pyridyl-europium(III) anion")
mo("EUSUXXIS",-17,"M,Eu;O2576;2611;","O489;654;669;689;702;1098;1111;1131;1146;1311;1800;","Lijuan Zhang,Yunshan Zhou,Li Xu,Zhi Yu,I.A.Razak,S.Chantrapromma,Hoong-Kun Fun,Xiaozeng You,'Inorg.Chem.Commun. ',4,368,2001","x","SUXXIS","Eu(NO3)63-;hexanitrato-europium(III) anion")
mo("EUVIGPAC",-22,"M,Eu;Cl2619;2630;2636;O2415;2430;2480;2486;","Cl931;958;1711;ClO750;754;842;843;873;880;891;908;923;941;1437;1447;O687;698;716;1401;1407;1502;","Shan-Huo Lin,Zhen-Chao Dong,Jin-Shun Huang,Qian-Er Zhang,Jia-Xi Lu,'Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. ',47,426,1991","x","VIGPAC","(C4H8O)4EuCl3;trichloro-tetrakis(tetrahydrofuran)-europium(III)")
mo("EUHIZGUS",-24,"M,Eu;Cl2658;2662;2672;N2556;2585;2588;2612;","Cl897;943;997;ClN790;793;805;812;820;875;1136;1245;1280;1684;1686;1780;N636;644;647;989;991;1091;","R.Wietzke,M.Mazzanti,J.-M.Latour,J.Pecaut,P.-Y.Cordier,C.Madic,'Inorg.Chem. ',37,6690,1998","x","HIZGUS","(C18H18N4)EuCl3;trichloro-tris(2-pyridylmethyl)amido-europium(III)")
mo("EUBUVX~1",-32,"M,Eu;O2407;2408;2535;2536;","O665;724;750;906;907;1200;1345;1388;1389;","A.Chatterjee,'Pak.J.Sci.Ind.Res. ',29,255,1986","x","BUVXAR01","(H2O)9Eu3+;nonaaqua-europium(III) cation")
mo("EUZIPPET",-37,"M,Eu;N2500;2531;2532;2534;S2838;2844;2858;2886;","N767;773;833;1113;1329;1590;NS579;581;582;775;786;824;845;861;863;902;1255;1313;1413;1430;1603;S831;869;979;1104;1290;1367;","M.Berardini,J.Brennan,'Inorg.Chem. ',34,6179,1995","x","ZIPPET","Eu(C5H4NS)41-;tetrakis(2-pyridinethiolato)-europium(III) anion")
mo("EUBAPXAR",-38,"M,Eu;O2395;2495;","O634;743;779;881;1200;1267;1359;1486;","F.R.Fronczek,A.K.Banerjee,S.F.Watkins,R.W.Schwartz,'Inorg.Chem. ',20,2745,1981","x","BAPXAR","Eu(C4H4O5)3-;tris(oxydiacetato)-europium(III) anion")
mo("EUBIWFUI",-39,"M,Eu;O2408;2433;2478;2490;2493;2501;2504;2540;2570;","O513;514;522;633;634;645;654;670;685;694;708;715;716;719;724;736;748;751;775;777;822;836;853;938;1073;1121;1123;1128;1136;1173;1223;1272;1296;1330;1348;1378;1384;1419;1445;1449;1546;1756;","J.-C.G.Bunzli,B.Klein,D.Wessner,N.W.Alcock,'Inorg.Chim.Acta ',59,269,1982","x","BIWFUI","(C8H16O4)Eu(NO3)3;(12-crown-4)-tris(nitrato)-europium(III)")
mo("EUPHASEU",-39,"M,Eu;O2415;2474;2481;2516;2518;","O508;517;519;687;704;715;752;755;757;759;788;821;854;1072;1138;1174;1196;1219;1228;1296;1389;1511;1516;1709;","J.-C.G.Bunzli,B.Klein,G.Chapuis,K.J.Schenk,'J.Inorg.Nucl.Chem. ',42,1307,1980","x","PHASEU","Eu(NO3)52-;pentanitrato-europium(III) anion")
mo("F-F2",-1,",F;F142","","Canad.J.Phys.,29,151,1951","rm","","F2;difluorine")
mo("HF",1,",F;H917","",".HBr","zz","","HF;hydrogen fluoride")
mo("FeI4-1",8,",Fe;I2526;254;2546;2552","107;1082;1086;1095;1116;1119","H.P.Lane,S.M.Godfrey,C.A.McAuliffe,R.G.Pritchard,JCSD,,3249,1994","x","PORPAN","FeI41-;tetraiodoiron(III) anion")
mo("feco4-1",8,",Fe;C1746;1747","101;1071;1211","R.G.Teller,R.G.Finke,J.P.Collman,H.B.Chin,R.Bau,JACS,99,1104,1977","x","FUZHUD","Fe(CO)42-;tetracarbonyliron anion")
mo("feco4-2",8,",Fe;C1738","1041;1054;1062;1297","H.B.Chin,R.Bau,JACS,98,2434,1976","x","SFCDOX",".feco4-1;")
mo("7rxnsite",8,",Fe;S227;2276;229;233","1041;106;1094;1104;1131;114","(see PDB file)","x","7rxn","Fe (enzyme);iron-sulfur [FeS4], rubredoxin; Desulfovibrio vulgaris")
mo("2fdnsite",8,",Fe;S2257;2264;2291;2294","1035;1047;1052;1098;1159;1165","(see PDB file)","x","2fdn","Fe (enzyme)~;ferredoxin; Clostridium acidurici")
mo("6fdrsite",8,",Fe;S2207;2298;2322;2323","1002;1061;1072;1139;114;1153","(see PDB file)","x","6fdr","Fe (enzyme)~~;ferredoxin; Azotobacter vinelandii")
mo("feco5-1",13,",Fe;C1763;1797;181","882;904;915;1161;122;1764","J.Donohue,A.Caron,Acta Cryst.,17,663,1964","x","FOJBOV01","Fe(CO)5;iron(0) pentacarbonyl")
mo("feco5-2",13,",Fe;C1755;1805","897;90;904;1173;1214;1793","R.Boese,D.Blaser,Z.Kristallogr.,193,289,1990","x","FOJBOV02",".feco5-1;")
mo("feco5-3",13,",Fe;C1801;1804;1811","895;902;904;1178;1211;1789","D.Braga,F.Grepioni,A.G.Orpen,Organometallics,12,1481,1993","x","FOJBOV03",".feco5-1;")
mo("ferrioxalate1",16,"FERRIO~1,Fe;O2007;201;2011;2018","785;805;868;889;969;991;992;1041;1593;1665","J.P.Declercq,J.Feneau-Dupont,J.Ladriere,Polyhedron,12,1031,1993","x","LAPNAR10","Fe(C2O4)33-;tris(oxalato)iron(III) anion (ferrioxalate)")
mo("ferrioxalate2",16,"FERRIO~2,Fe;O1979;1988;2005;2009;2014;202","804;805;873;884;896;898;90;913;1014;1024;1059;1634;1635;1636","E.H.Merrachi,B.F.Mentzen,F.Chassagneux,J.Bouix,Rev.Chim.Miner.,24,56,1987","x","FEPCUY10",".ferrioxalate1;")
mo("ferricyanide1",16,"FERRIC~1,Fe;C1932;1943;1947;1951;1978","856;859;864;886;891;904;907;916;919;921;94;942;1734;175;1763",".cyanide1","x","VAZDIJ","Fe(CN)63-;hexacyanoiron(III) anion (ferricyanide)")
mo("mFetacnCl3",16,"MFETAC~1,Fe;Cl2248;2249;N2254","61;611;NCl933;941;944;Cl1034;1055;NCl1501;1508","R.D.Kohn,G.Kociok-Kohn,Angew.Chem.,Int.Ed.Engl.,33,1877,1994","x","POJREL","(C6H15N3)FeCl3;(1,3,5-triaza-1,3,5-trimethylcyclohexane)trichloroiron(III)")
mo("1ccrsite",16,",Fe;N1964;1995;2028;2033;2037;S2351","N857;861;881;SN;887;N899;902;905;913;SN943;956;N1759;1767;SN1783","(see PDB file)","x","1ccr","Fe (heme);cytochrome c; rice")
mo("1a6msite",16,",Fe;O1806;N1997;2001;2003;2023;2064","ON87;892;N895;896;90;901;903;ON904;907;N908;928;ON1764;N1777;1796","(see PDB file)","x","1a6m","Fe (heme)~;myoglobin; sperm whale")
mo("2cppsite",15,",Fe;N2011;2026;2073;2078;S2198","N871;873;876;878;SN956;995;106;1074;N1543;1569","(see PDB file)","x","2cpp","Fe (heme)~~;P-450 (Cam); Pseudomonas putida")
mo("fecp2-1",-47,",Fe;C2009;2018;2033;2043;2048","388;39;396;418;42;664;666;677;683;689;1111;1117;1123;1134;1136;138;1382;1404;141;1412;180","F.Takusagawa,T.F.Koetzle,ACB,35,1074,1979","nd","FEROCE09","Fe(C5H5)2;bis(CP)iron(II) (ferrocene)")
mo("fecp2-2",-47,",Fe;C2034;2035;2039;2041;2043;2045;2046;205","402;403;404;406;407;408;68;681;683;684;685;1077;1078;1079;1081;1084;1192;1193;1195;1196;1267;1268;1273;1535;1536;1643;1644;1645;1646;1649","P.Seiler,J.D.Dunitz,ACB,35,2020,1979","x","FEROCE18",".fecp2-1;")
mo("fecp2-3",-47,",Fe;C201;2017;2037;2048;2054","381;385;393;419;42;657;66;671;682;685;1115;1118;1129;114;1143;138;1381;1407;1415;1419;180","P.Seiler,J.D.Dunitz,ACB,35,1068,1979","x","FEROCE13",".fecp2-1;")
mo("Fe3cp2-1",-47,",Fe;C2054;2062;2065;2068;2071;2073;2086;209;2114","381;386;388;391;394;396;397;398;401;646;652;654;659;66;663;664;665;666;108;1088;1106;1112;1123;1216;1234;1235;124;1241;125;1257;1264;1268;1278;1563;1569;1582;1587;1593;1605;1606;1609;1611;1631","N.J.Mammano,A.Zalkin,A.Landers,A.L.Rheingold,IOC,16,297,1977","x","FERCBI10","Fe(C5H5)21+;bis(CP)iron(III) cation (ferrocenium cation)")
mo("Fe3cp2-2",-47,",Fe;C2037;2046;2051;2052;2061;2063","373;388;393;40;404;413;631;648;654;665;666;68;1097;1104;1107;1241;1246;1249;1253;1254;1573;1589;1591;1611;1615","P.J.M.Evans,B.W.Fitzsimmons,W.G.Marshall,A.J.Golder,L.F.Larkworthy,D.C.Povey,G.W.Smith,JCSD,,1065,1992","x","KOVMUD",".Fe3cp2-1;")
mo("Fe3cp2-3",-47,",Fe;C2032;2038;2045;206;2079","387;389;405;414;428;643;667;679;701;703;1097;1099;1121;1133;1157;1372;1386;1395;1411;1413;180","R.Martinez,A.Tiripicchio,ACC,46,202,1990","x","KEFXUO",".Fe3cp2-1;")
mo("Fe2mcp2-1",-47,"FE2MCP~1,Fe;C2045;2049;2053","404;405;406;68;681;682;1118;1119;112;1394;1395;1396;180","D.P.Freyberg,J.L.Robbins,K.N.Raymond,J.C.Smart,JACS,101,892,1979","x","DMFERR01","Fe(C10H15)2;bis(MCP)iron(II)")
mo("Fe3mcp2-1",-47,"FE3MCP~1,Fe;C2079;2085;2086;2091;2098;210;2103;2105;2116","387;391;393;394;396;398;40;656;66;661;662;663;665;667;668;1092;1097;110;1109;1113;1197;1206;1211;1213;1215;1282;1285;1287;129;1298;1533;1535;154;1651;1653;1655;1657","J.M.Forward,D.M.P.Mingos,A.V.Powell,JOMC,465,251,1994","x","WEKJEB","Fe(C10H15)21+;bis(MCP)iron(III) cation")
mo("Fe3mcp2-2",-47,"FE3MCP~2,Fe;C2075;2081;2087;2088;2089;2094;2097;2102;2104","393;394;395;396;397;40;661;662;664;665;666;667;67;1087;1096;1105;1111;1115;1181;1182;1189;1196;1208;1291;1301;1307;1314;1315;1503;1504;1511;1519;1524;167;1671;168;1684;169","W.E.Broderick,J.A.Thompson,M.R.Godfrey,M.Sabat,B.M.Hoffman,JACS,111,7656,1989","x","JECDOK",".Fe3mcp2-1;")
mo("Fe3mcp2-3",-47,"FE3MCP~3,Fe;C2073;2074;2088;209;2094;2097;210;2105;2114;2117","391;392;396;397;398;399;40;402;403;404;662;665;666;67;671;672;675;1092;1096;1108;1116;1166;117;1172;1176;1181;1311;1318;1324;1334;1336;1479;1481;1486;1488;1493;1698;170;1708;171;1714","D.A.Dixon,J.C.Calabrese,J.S.Miller,JACS,108,2582,1986","x","DOMWUX",".Fe3mcp2-1;")
mo("GABIJBEB",-4,"M,Ga;C1981;N1850;1870","CN1318;1382;N892","P.Jutzi,B.Neumann,G.Reumann,H.-G.Stammler,'Organometallics ',18,2037,1999","x","BIJBEB","[Ga(C8H9N)(C10H15)]2;bis((/m~2~-2,6-dimethylphenylamido)-(pentamethyl-cyclopentadienyl)-gallium)")
mo("GAABISOT",-8,"M,Ga;Cl2172;2214;N1842;2020","Cl1070;ClN1026;1159;1193;1196;N905","E.S.Schmidt,A.Schier,N.W.Mitzel,H.Schmidbaur,'Z.Naturforsch.,B:Chem.Sci. ',56,458,2001","x","ABISOT","Ga(C10H23N2)Cl2;dichloro-((2-(t-butylamino)ethyl)(t-butyl)amide-N,N')-gallium(III)")
mo("GAAFAJUM",-8,"M,Ga;C1934;Cl2175;2202;N2024","CCl1165;1189;CN1120;Cl1056;ClN1005;1008","H.Noth,T.Seifert,'Eur.J.Inorg.Chem. ',,602,2002","x","AFAJUM","(C4H12N2)Ga(CH3)Cl2;(N'-t-butylhydrazine-N)-dichloro-methyl-gallium")
mo("GAAFAKEX",-8,"M,Ga;C1984;1999;2047;N2053","C1074;1090;1151;N1028;1087;1130",".GAAFAJUM","x","AFAKEX","[(C7H19LiN2Si2)Ga(CH3)3]2;bis(/m~3~-N'-t-butyl-N-(trimethylsilyl)hydrazido-N,N,N')-hexamethyl-digallium(III)-dilithium")
mo("GAAFIQIP",-8,"M,Ga;Cl2144;2159;2160;2165","1091;1092;1093;1097;1104","N.Burford,T.S.Cameron,P.J.Ragogna,E.Ocando-Mavarez,M.Gee,R.McDonald,R.E.Wasylishen,'J.Am.Chem.Soc. ',123,7947,2001","x","AFIQIP","GaCl41-;tetrachloro-gallium(III) anion")
mo("GAAGOHOT",-8,"M,Ga;Cl2139;2141;O1919","Cl1131;1146;ClO1044;1061","S.Scholz,H.-W.Lerner,M.Bolte,'Acta Crystallogr.,Sect.E:Struct.Rep.Online ',58,m586,2002","x","AGOHOT","(C4H8O)GaCl3;trichloro-(tetrahydrofuran)-gallium(III)")
mo("GACAFPAB",-8,"M,Ga;H1441;1548;N1916;2069","H1200;HN1029;1066;1098;1153;N1006","W.Uhl,J.Molter,B.Neumuller,'J.Organomet.Chem. ',634,193,2001","x","CAFPAB","[Ga(C6H15N2)H2]2;2,5-bis(isopropyl)-1,4-bis(isopropylidene)-1,2,4,5-tetraaza-3,5-digallacyclohexane")
mo("GABICRAG",-8,"M,Ga;C1969;1994;Sb2681;2690","C1204;CSb1054;1056;1095;1100;Sb1047","S.Schulz,M.Nieger,'J.Organomet.Chem. ',570,275,1998","x","BICRAG","[Ga(CH3)2(C8H24SbSi2)]3;2,2,4,4,6,6-hexamethyl-1,1,3,3,5,5-hexakis(trimethylsilyl)-2,4,6-trigalla-1,3,5-tristibinane")
mo("GABIPY~1",-16,"M,Ga;Cl2266;N2095;2111","Cl973;ClN892;942;945;1699;N772;855;930;1668","R.Restivo,G.J.Palenik,'J.Chem.Soc.,Dalton Trans. ',,341,1972","x","BIPYGA10","(C10H8N2)2GaCl21+,GaCl41-;cis-dichloro-bis(2,2'-bipyridyl)-gallium(III) tetrachloro-gallium(III)")
mo("GDGUVNAM",-3,"M,O;Gd2276;P1517;","GdP1468;","N.J.Hill,Lai-Shi Leung,W.Levason,M.Webster,'Inorg.Chim.Acta ',343,169,2003","x","GUVNAM","(C3H9OP)6Gd3+;hexakis(trimethylphosphine oxide)-gadolinium(III)")
mo("GDNIGTOM",-22,"M,Gd;Cl2607;O2400;2418;2420;","Cl1771;ClO851;872;914;926;937;O718;723;729;1435;1439;","G.R.Willey,T.J.Woodman,D.J.Carpenter,W.Errington,'J.Chem.Soc.,Dalton Trans. ',,2677,1997","x","NIGTOM","(C4H8O)5Gdl21+;trans-dichloro-pentakis(tetrahydrofuran)-gadolinium(III)")
mo("GDBUVVOD",-32,"M,Gd;O2395;2396;2539;2540;2541;","O664;665;723;724;752;753;903;904;1200;1346;1347;1387;1388;","J.McB.Harrowfield,D.L.Kepert,J.M.Patrick,A.H.White,'Aust.J.Chem. ',36,483,1983","x","BUVVOD","(H2O)9Gd3+;nonaaqua-gadolinium(III)")
mo("GDFUHQUU",-38,"M,Gd;O2389;2490;","O635;742;779;881;1200;1269;1359;1484;","L.J.Farrugia,R.D.Peacock,B.Stewart,'Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. ',56,e435,2000","x","FUHQUU","Gd(C4H4O5)33-;tris(2,2'-oxydiacetato)-gadolinium(III)")
mo("GDFOGJEQ",-47,"M,Gd;C2586;2625;2634;2639;2640;2659;","C307;309;312;314;315;548;550;558;559;561;644;650;656;1144;1150;1156;1239;1241;1242;1250;1252;1485;1486;1488;1491;1493;1800;","J.G.Brennan,F.G.N.Cloke,A.A.Sameh,A.Zalkin,'Chem.Commun. ',,1668,1987","x","FOGJEQ","Gd(C18H30)2;bis(/h^6^-1,3,5-tri-t-butylbenzene)-gadolinium(0)")
mo("GDDUFC~1",-49,"M,Gd;Br2868;2871;C2602;2618;2619;2634;2640;2647;2650;2656;2658;2663;","Br850;BrC833;834;837;840;880;892;911;981;1016;1077;1080;1102;1141;1184;1192;1283;1317;1318;1322;1328;C280;283;295;296;298;299;301;304;308;465;472;481;482;491;496;501;506;814;867;906;982;997;1060;1119;1131;1137;1162;1190;1277;1282;1288;1290;1345;1366;1377;1399;1401;1432;1565;1625;1627;1667;","W.Lamberts,H.Lueken,U.Elsenhans,'Inorg.Chim.Acta ',121,81,1986","x","DUFCIQ10","[GdBr(C5H5)2]2;bis(/m~2~-bromo)-tetrakis(CP)-di-gadolinium(III)")
mo("GECL4",-8,"M,Ge;Cl2080","Cl1095","TID","ed","","GeCl4;germanium tetrachloride")
mo("GEBR4",-8,"M,Ge;Br2290","Br1095","TID","ed","","GeBr4;germanium tetrabromide")
mo("GEI4",-8,"M,Ge;I2500","I1095","TID","ed","","GeI4;germanium tetraiodide")
mo("GEAGOFIL",-8,"M,Ge;C1917;1948;1957;1961","1073;1081;1087;1104;1118","A.K.Brisdon,I.R.Crossley,R.G.Pritchard,J.E.Warren,'Inorg.Chem. ',41,4748,2002","x","AGOFIL","Ge(C2HF2)(C6H5)3;(1,2-difluorovinyl)-triphenyl-germanium")
mo("GEBAFNIG",-8,"M,Ge;C2028;I2527;2530;2547","CI1119;1127;1153;I1017;1059;1086","A.C.Filippou,P.Portius,A.I.Philippopoulos,'Organometallics ',21,653,2002","x","BAFNIG","Ge(C10H15)I3;(MPC)-triiodo-germanium(IV)")
mo("GEBIFNEJ",-8,"M,Ge;Co2294;2311;2327;2329","Co678;680;681;1392;1398;1405","","x","BIFNEJ",".COBIFNEJ;")
mo("GEBOMQOJ",-16,"M,Ge;Br2446;N2112","Br889;911;1800;BrN895;905;N1800","K.Hensen,A.Faber,M.Bolte,ACSC,55,1774,1999","x","BOMQOJ","(C7H9N)2GeBr4;trans-tetrabromo-bis(3,5-dimethylpyridine)-germanium(IV)")
mo("F-H2",-1,",H;H74","","Canad.J.Res.,A28,144,1950","ir","","H2;dihydrogen")
mo("F-H2CAT",-1,",H;H106","","S.K.Luke,G.Hunter,R.P.McEachranm,M.Cohen,JCP,50,1644,1969","uv",":C12184906","H21+;dihydrogen radical cation")
mo("H_BAFKAV",-3,"M,H;Mg1883","1004","D.J.Gallagher,K.W.Henderson,A.R.Kennedy,C.T.O'Hara,R.E.Mulvey,R.B.Rowlings,'Chem.Commun. ',,376,2002","x","BAFKAV","[Mg((C3H7)2N]2(H)]2Na2;bis((/m~2~-hydrido)-bis(/m~2~-diisopropylamido)-magnesium-sodium) toluene solvate")
mo("H_VILCEY",-3,"M,H;Lu2124;2147","Lu1048","D.Stern,M.Sabat,T.J.Marks,'J.Am.Chem.Soc. ',112,9558,1990","x","VILCEY","[Lu(C18H26Si)H]2;bis((/m~2~-(CP)-(/h^5^-tetramethyl-cyclopentadienyl)diethylsilane)-(/m~2~-hydrido)-lutetium)")
mo("H_CLHPCI",-3,"M,H;Ir1939","Ir969","M.R.Churchill,S.A.Julis,'Inorg.Chem. ',16,1488,1977","x","CLHPCI","[Ir(C10H15)Cl]2(Cl)H;/m-chloro-/m-hydrido-bis(MCP-chloro-iridium)")
mo("F-HE2CAT",-1,",He;He108","",".F-CNCAT","uv","","He21+;dihelium radical cation")

mo("HGBITH~1",-2,"M,Hg;Cl2330;2332","Cl1716","A.B.Salah,J.W.Bats,H.Fuess,A.Daoud,'Inorg.Chim.Acta ',63,169,1982","x","BITHIV10","HgCl2;dichloromercury")
mo("HGDTFM~1",-2,"M,Hg;C2110","C1800","D.J.Brauer,H.Burger,R.Eujen,'J.Organomet.Chem. ',135,281,1977","x","DTFMHG02","Hg(CF3)2;bis(trifluoromethyl)mercury")
mo("HGACABAH",-2,"M,Hg;N2113","N1800","M.Weil,'Acta Crystallogr.,Sect.E:Struct.Rep.Online ',57,m322,2001","x","ACABAH","(C5H5N)2Hg2+;bis(pyridine-N)-mercury(II) cation")
mo("HGPAKSEZ",-2,"M,Hg;Br2379;N2081","BrN1761","L.-J.Baker,G.A.Bowmaker,N.J.Hendrickson,B.W.Skelton,A.H.White,'J.Chem.Soc.,Dalton Trans. ',,2601,1992","x","PAKSEZ","(C5H5N)HgBr1+;bromo-pyridyl-mercury(II) cation")
mo("HGDIPH~1",-2,"M,Hg;C2085","C1800","D.Grdenic,B.Kamenar,A.Nagl,ACS B,33,587,1977","x","DIPHHG11","Hg(C6H5)2;diphenylmercury")
mo("HGVAXKOU",-2,"M,Hg;C2120;2154","C1779","B.Fischer,G.P.M.van Mier,J.Boersma,G.van Koten,W.J.J.Smeets,A.L.Spek,'Rec.Trav.Chim.Pays-Bas(Fr.)(Rec.J.R.Neth.Chem.Soc.) ',107,259,1988","x","VAXKOU","Hg(C5H5)2;dicyclopentadienyl-mercury")
mo("HGMERS~1",-2,"M,Hg;S2343","S1765","K.A.Fraser,W.Clegg,D.C.Craig,M.L.Scudder,I.G.Dance,ACSC,51,406,1995","x","MERSET01","Hg(SCH2CH3)2;bis(ethanethiolato)-mercury")
mo("HGZOJZUT",-2,"M,Hg;C2082","C1800","M.Bodenbinder,G.Balzer-Jollenbeck,H.Willner,R.J.Batchelor,F.W.B.Einstein,C.Wang,F.Aubke,'Inorg.Chem. ',35,82,1996","x","ZOJZUT","(CO)2Hg2+;dicarbonyl-mercury(II) cation")
mo("HGFOCLOY",-4,"M,Hg;Cl2293;2400;2536","Cl1032;1140;1422","R.C.Larock,L.D.Burns,S.Varaprath,C.E.Russell,J.W.Richardson Junior,M.N.Janakiraman,R.A.Jacobson,'Organometallics ',6,1780,1987","x","FOCLOY","HgCl31-;trichloro-mercury(II) anion")
mo("HGCEGMUW",-8,"M,Hg;Cl2426;2437;2481;2574","Cl1031;1044;1046;1092;1146;1191","A.B.Salah,J.W.Bats,H.Fuess,A.Daoud,'Z.Kristallogr.,Kristallgeom.,Kristallphys.,Kristallchem. ',164,259,1983","x","CEGMUW","HgCl42-;tetrachloro-mercury(II) anion")
mo("HGDUFH~1",-8,"M,Hg;Br2560;2585;2596;2644","Br1031;1083;1091;1102;1128;1129","I.Pabst,J.W.Bats,H.Fuess,'Acta Crystallogr.,Sect.B:Struct.Sci. ',46,503,1990","x","DUFHUH10","HgBr42-;tetrabromo-mercury(II) anion")
mo("HGMAQKAQ",-8,"M,Hg;C2155;2217","C1018;1077;1100;1184","W.Ponikwar,E.Schuierer,W.Beck,'Z.Anorg.Allg.Chem. ',626,1282,2000","x","MAQKAQ","Hg(CNO)42-;tetrafulminato-mercurate(II) anion")
mo("HGKILCIR",-8,"M,Hg;S2539","S981;1155","T.D.Bailey,R.M.H.Banda,D.C.Craig,I.G.Dance,I.N.L.Ma,M.L.Scudder,'Inorg.Chem. ',30,187,1991","x","KILCIR","Hg(S4)22-;bis(tetrasulfido)-mercury anion")
mo("HGBEJLAD",-8,"M,Hg;Br2478;2483;N2380;2395","Br1412;BrN1025;1032;1038;1043;N907","A.J.Canty,C.L.Raston,B.W.Skelton,A.H.White,'J.Chem.Soc.,Dalton Trans. ',,15,1982","x","BEJLAD","(C5H5N)2HgBr2;dibromo-dipyridine-mercury(II)")
mo("HGBACZUB",-8,"M,Hg;Cl2348;2401;2539;2812","Cl844;1006;1008;1059;1222;1287","K.Sunkel,T.Kiessling,'J.Organomet.Chem. ',637,796,2001","x","BACZUB","[HgCl3]22-;bis(/m~2~-chloro)-dichloro-mercury anion")
mo("HGCAMBIB",-8,"M,Hg;I2701;2716;2906;2921","I963;1053;1070;1077;1108;1257","J.Pickardt,P.Wischlinski,'Z.Anorg.Allg.Chem. ',625,1527,1999","x","CAMBIB","[HgI3]22-;hexaiododimercury(II) anion")
mo("HGCOHWEB",-8,"M,Hg;S2438;2473;2630;2706","S942;1050;1070;1087;1161;1218","G.A.Bowmaker,I.G.Dance,B.C.Dobson,D.A.Rogers,'Aust.J.Chem. ',37,1607,1984","x","COHWEB","[Hg(SCH3)3]22-;bis(/m~2~-methylthiolato)-tetrakis(methylthiolato)-dimercury(II) anion")
mo("HGETURHG",-9,"M,Hg;Cl2308;O2673","Cl1800;ClO871;929;O1800","R.J.Majeste,L.M.Trefonas,'Inorg.Chem. ',11,1834,1972","x","ETURHG","(C3H6N2O)2HgCl2;bis(imidazolidinone-O) mercury(II) chloride")
mo("HGICIYEY",-9,"M,Hg;N2169;2178;2212;2255","N849;866;867;869;1484;1523","Ming-Cheng Wang,Long-Seen Sue,Bing-Chung Liau,Bao-Tsan Ko,S.Elango,Jyh-Horung Chen,'Inorg.Chem. ',40,6064,2001","x","ICIYEY","Hg(C48H24N8);(meso-tetra(p-cyanophenyl)porphyrinato)-mercury(II)")
mo("HGHUTZIF",-11,"M,Hg;N2601;S2342;2348","NS914;988;S1699","Meng Tack Ng,T.C.Deivaraj,J.J.Vittal,'Main Group Metal Chemistry ',25,581,2002","x","HUTZIF","(C10H8N2)[Hg(SC6H5)2]2;(/m~2~-4,4'-bipyridyl)-tetrakis(phenylthiolato)-dimercury")
mo("HGFAHVEP",-13,"M,Hg;Cl2327;2962;3029","Cl881;906;915;1061;1477;1788","L.P.Battaglia,A.B.Corradi,L.Antolini,T.Manfredini,L.Menabue,G.C.Pellacani,G.Ponticelli,'J.Chem.Soc.,Dalton Trans. ',,2529,1986","x","FAHVEP","HgCl53-;pentachloro-mercury(II) anion")
mo("HGLITREL",-15,"M,Hg;Cl2395;2423;2594;2838;2887","Cl842;875;881;885;970;974;1087;1089;1537;1539","I.F.Burshtein,V.I.Pavlovsky,A.L.Poznyak,'Kristallografiya(Russ.)(Crystallogr.Rep.) ',44,226,1999","x","LITREL","HgCl53-;pentachloro-mercury(II) anion")
mo("HGMOCRUR",-21,"M,Hg;N2373;2397;2508","N727;729;862;895;962;1205;1302;1375;1455","M.L.Tran,P.V.Bernhardt,I.R.Gentle,'Acta Crystallogr.,Sect.E:Struct.Rep.Online ',58,m150,2002","x","MOCRUR","(C4H13N3)2Hg2+;bis(diethylenetriamine)-mercury(II) cation")
mo("HGRIXHAH",-27,"M,Hg;N2560;2562;2593;2595","N646;657;659;757;760;766;1034;1040;1043;1141;1143;1154;1800","D.C.Debout,D.E.Ehmann,J.C.Trinidad,K.K.Crahan,M.E.Kastner,D.A.Parrish,'Inorg.Chem. ',36,4257,1997","x","RIXHAH","[N(C6H6N)3]2Hg2+;bis(tris((2-pyridyl)methyl)amine)-mercury(II) cation")
mo("HGDENZUR",-30,"M,Hg;I2623;O2858;2871","I1800;IO848;854;946;952;O606;608;1192;1194;1800","D.A.Pears,J.F.Stoddart,J.Crosby,B.L.Allwood,D.J.Williams,ACSC,42,51,1986","x","DENZUR","(C12H24O6)HgI2;(18-crown-6)-diiodo-mercury(II)")
mo("HGRUKFOS",-30,"M,Hg;Cl2343;2350;O2772;2785;2815;2861;2877;2885","Cl1775;ClO852;854;866;884;894;897;905;910;911;924;930;972;O567;588;592;601;615;636;1159;1182;1183;1194;1222;1248;1716;1752;1758","J.Pickardt,S.Wiese,P.Wischlinski,'Z.Naturforsch.,B:Chem.Sci. ',52,1296,1997","x","RUKFOS","(C16H24O6)HgCl2;(benzo-18-crown-6)-dichloro-mercury(II)")
mo("HOFUFZIP",-13,"M,Ho;B2483;2495;2520;N2535;2555","B1145;1181;1273;BN860;887;888;889;931;954;N1713","R.Shinomoto,A.Zalkin,N.M.Edelstein,'Inorg.Chim.Acta ',139,97,1987","x","FUFZIP","(C5H5N)2Ho(CH3BH3)3;tris(methyltrihydroborato)-bis(pyridine)-holmium(III)")
mo("HODAKJEE",-16,"M,Ho;Cl2617;2623;2628","Cl855;884;886;900;918;973;1741;1776","A.Becker,W.Urland,'J.Alloys and Compounds ',275,62,1998","x","DAKJEE","HoCl63-;hexachloro-holmium(III) anion")
mo("HOXEWVIE",-26,"M,Ho;N2502;2505;O2305;2314;2338;2352;2367;2409","N654;NO708;731;758;769;804;941;1000;1243;1312;1359;1479;1504;O713;728;736;739;742;745;748;757;945;1003;1281;1300;1409;1477;1482","L.I.Semenova,B.W.Skelton,A.H.White,'Aust.J.Chem. ',52,551,1999","x","XEWVIE","(C10H8N2)(H2O)6Ho3+;hexaaqua-(2,2'-bipyridine)-holmium(III) cation")
mo("HOGODKOZ",-31,"M,Ho;N2627;2632;2642;2664;O2322;2330;2331;2336;2443","N679;684;689;1050;NO664;667;669;671;720;730;742;745;1255;1257;1292;1295;1308;1316;1318;1327;1387;1406;1413;1425;O691;719;729;735;814;838;857;868;1426;1446","F.Benetollo,G.Bombieri,S.Aime,M.Botta,ACSC,55,353,1999","x","GODKOZ","(H2O)Ho(C16H24N4O8)1-;sodium aqua-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato)-holmium(III) anion")
mo("HOKITGOJ",-31,"M,Ho;O2342;2362;2369;2370;2412;2444;2451;2459;2461","O646;655;663;668;680;693;705;708;710;713;716;717;719;723;774;795;805;811;840;879;937;1170;1209;1221;1297;1299;1316;1324;1339;1343;1380;1397;1402;1420;1422;1472","R.D.Rogers,R.D.Etzenhouser,J.S.Murdoch,E.Reyes,'Inorg.Chem. ',30,1445,1991","x","KITGOJ","(C8H18O5)(H2O)4Ho3+;tetraqua-(tetraethylene glycol)-holmium(III) cation")
mo("HOHOES~1",-32,"M,Ho;O2361;2362;2510;2511;2512","O659;730;751;906;1200;1344;1345;1388","R.E.Gerkin,W.J.Reppart,ACSC,40,781,1984","x","HOESUL02","(H2O)6Ho3+;nonaaqua-holmium(III) cation")
mo("HOOFEKUF",-36,"M,Ho;Cl2603;N2335;2357;2359;2376;O2459;2472","ClN838;1010;1236;1546;ClO783;814;N749;757;761;778;1192;1235;NO763;774;813;887;1335;1358;1484;1492;O682","T.J.Foley,K.A.Abboud,J.M.Boncella,'Inorg.Chem. ',41,1704,2002","x","OFEKUF","(C4H10O2)Ho(C44H28N4)Cl;chloro-(1,2-dimethoxyethane)-(5,10,15,20-tetraphenylporphyrinato)-holmium(III)")
mo("HOLEYJEE",-38,"M,Ho;O2360;2365;2369;2400;2406;2414","O520;522;532;705;727;754;760;765;778;787;791;886;982;1168;1241;1285;1308;1433;1436;1463;1493","R.D.Rogers,A.N.Rollins,'J.Chem.Cryst. ',24,321,1994","x","LEYJEE","(H2O)3Ho(NO3)3;triaqua-tris(nitrato)-holmium(III) anion")
mo("HONUJBAV",-38,"M,Ho;N2463;2464;2478;O2382;2383;2391;2402;2406;2409","N1196;1200;1205;NO642;643;644;648;651;726;734;739;742;743;745;1344;1345;1349;1359;1362;O752;759;762;766;767;768;895;897;907;1286;1294;1296;1469;1477;1484","W.Brzyska,Z.Rzaczynska,W.Ozga,R.Mrozek,T.Glowiak,'Pol.J.Chem. ',70,1008,1996","x","NUJBAV","(C7H3NO4)3Ho3-;tris(pyridine-2,6-dicarboxylato-N,O,O')-holmium(III) anion")
mo("HOYEFVUA",-46,"M,Ho;C2655;2662;2670;2674;2675;Cl2618;2623;O2366;2454","C296;297;303;308;496;497;501;502;CCl775;780;868;870;1005;1021;1164;1165;1270;1275;CO764;803;806;934;937;1089;1094;1236;1238;1286;1531;1532;1536;1540;1544;Cl1547;ClO771;776;863;871;875;882;O766;783;1549","Zhongzhi Wu,Zheng Xu,Xiaozeng You,Xigen Zhou,Huaqing Wang,Yao Yang,'Polyhedron ',12,795,1993","x","YEFVUA","(C4H8O)3Ho(C5H5)Cl2;dichloro-(CP)-tris(tetrahydrofuran)-holmium(III)")
mo("HOGIFLIQ",-49,"M,Ho;C2638;2641;2660;2666;2668;2671;2673;2676;2682;2688;Cl2578;O2365","C306;308;309;311;312;313;509;512;513;514;515;517;850;917;947;1003;1065;1077;1102;1143;1218;1223;1257;1304;1307;1359;1364;1374;1376;1427;1443;1447;1512;1549;1581;1707;1727;CCl792;812;850;952;976;1081;1150;1261;1276;1319;CO770;786;868;921;964;1038;1171;1231;1264;1303;ClO913","H.Schumann,J.Loebel,D.van der Helm,M.B.Hossain,'Z.Naturforsch.,B:Chem.Sci. ',43,323,1988","x","GIFLIQ","(C4H8O)Ho(C10H15)2Cl;chloro-bis(MCP)-(tetrahydrofuran)-holmium(III)")
mo("HI",1,",I;H160","",".HBr","zz","","HI;hydrogen iodide")
mo("I2-1",1,",I;I2773","","P.K.Hon,T.C.W.Mak,J.Trotter,IOC,18,2916,1979","x","AZADPI","I2;diiodine")
mo("I2-2",1,",I;I2674","","F.H.Herbstein,W.Schwotzer,JACS,106,2367,1984","x","BZHTID20",".I2-1;")
mo("I2",-1,"M,I;I267","",".F-CS2","ed","",".I2-1;")
mo("ICL-1",1,",I;Cl2446","","G.Bernardinelli,R.Gerdil,ACB,32,1906,1976","x","CLQUIC","ICl;iodine(I) chloride")
mo("I_ROLSAM",-2,"M,I;F2075;2082","F1779","Xiongzhi Zhang,K.Seppelt,'Z.Anorg.Allg.Chem. ',623,491,1997","x","ROLSAM","IF21-;iodine difluoride anion")
mo("ICl2-1",2,",I;Cl2574","180",".BrICl-1","x","DOBTOD","ClICl1-;iodine difluoride anion")
mo("ICl2-2",2,",I;Cl254","180","R.P.Shibaeva,L.P.Rozenberg,E.B.Yagubskii,A.A.Ignat'ev,A.I.Kotov,Dokl.Akad.Nauk SSSR,292,1405,1987","x","DOBTOD03",".ICl2-1;")
mo("BrICl-1",2,",I;Br2648;Cl2651","ClBr1796","H.Kobayashi,R.Kato,A.Kobayashi,G.Saito,M.Tokumoto,H.Anzai,T.Ishiguro,Chem.Lett.,,89,1986","x","DOBTUJ","BrICl1-;iodine bromidechloride anion")
mo("IBr2-1",2,",I;Br2764","180","H.Endres,M.Hiller,H.J.Keller,K.Bender,E.Gogu,I.Heinen,D.Schweitzer,Z.Naturforsch.,Teil B,40,164,1985","x","CUHTOO02","BrIBr1-;iodine dibromide anion")
mo("IBr2-2",2,",I;Br2626;2783","1782","A.Parlow,H.Hartl,Z.Naturforsch.,Teil B,40,45,1985","x","DAKMAD",".IBr2-1;")
mo("IBr2-3",2,",I;Br2685;2718","1797",".IBr2-2","x","DAKMAD",".IBr2-1;")
mo("I3-1",2,",I;I283;3038","1737",".I2-1","x","AZADPI","I31-;triiodide anion")
mo("I3-2",2,",I;I2926","180","M.Konno,S.-A.Hyodo,S.-I.Iijima,Bull.Chem.Soc.Jpn.,55,2327,1982","x","BAPCOK10",".I3-1;")
mo("I5GOBFUY",-3,"M,I;I3140","I875","K.-F.Tebbe,I.Dombrowski,'Z.Anorg.Allg.Chem. ',625,167,1999","x","GOBFUY","I51-;pentaiodide anion")
mo("I7GOBFUY",-3,"M,I;I2844;3364","I1128",".I5GOBFUY","x","GOBFUY","I71-;heptaiodide anion")
mo("F-IO3",-6,",I;O180","104","E.T.Kleve,S.C.Abrahams,J.L.Bernstein,JCP,54,2556,1971","x","","IO31-;iodate anion")
mo("F-IO4",-8,",I;O1777","1072;1141","A.Kálmán,D.W.J.Cruickshank,ACB,26,1782,1970","x","","IO41-;periodate anion")
mo("I_ROLSIU",-9,"M,I;F2006;2018","F899;901;1800","Xiongzhi Zhang,K.Seppelt,'Z.Anorg.Allg.Chem. ',623,491,1997","x","ROLSIU","IF41-;tetrafluoroiodate anion")
mo("F-IOF3",-12,",I;O1714;F1837;1892;1908","80;859;OF912;923;995;F1659","A. J. Edwards and P. Taylor J. Fluorine Chem. 4, 173 (1974)","x","","IOF3;iodine oxide trifluoride")
mo("F-IO2F2",-12,",I;O1762;1775;F1985;2015","OF887;889;916;919;O102;F1791","S.C.Abrahams,J.L.Bernstein,JCP,64,3254,1976","x","","IO2F21-;iodine dioxidedifluoride anion")
mo("IOF5-1",16,",I;O1743;F182;1878","779;875;OF1021;F1559;OF180","K.O.Christe,D.A.Dixon,A.R.Mahjoub,H.P.A.Mercier,J.C.P.Sanders,K.Seppelt,G.J.Schrobilgen,W.W.Wilson,JACS,115,2696,1993","x","SODVOW02","IOF5;iodine(VII) oxide pentafluoride")
mo("F-IOF5",-16,",I;F1817;1863;O200","F82;889;OF98;F164;OF180","L.S.Bartell,F.B.Clippard,E.J.Jacob,IOC,15,3009,1976","ed,mw","",".IOF5-1;")
mo("IF6-1",16,",I;F1821;1877;1894;1951;1983;2115","757;764;806;81;822;827;849;852;996;111;1238;152;1565;1589","A.R.Mahjoub,K.Seppelt Angew.Chem.,Int.Ed.Engl.,30,323,1991","x","KIRMON","IF61-;hexafluoroiodine(V) anion")
mo("F3CIF4-1",15,",I;F1904;1913;1918;1925;C2215","FC81;815;825;837;F874;893;895;1634;1652","R.Minkwitz,R.Brochler,H.Preut,Z.Anorg.Allg.Chem.,621,1247,1995","x","ZAHFUJ","I(CF3)F4;tetrafluoro(trifluoromethyl)iodine(V)")
mo("F-IF5",-15,",I;F1844;1869","819;889;1638",".F-BRF5","mw","","IF5;iodine pentafluoride")
mo("F-IO5",-15,",I;O177;178","896;95;170","V. M. Tromel, H. Dollin Zeit. Anorg. Allg. Chem. 411 41 (1975)","x","","IO53-;iodine pentaoxidate anion")
mo("F-IOF4",-15,",I;O172;F1965","OF885;F90;177","R.R.Ryan,L.B.Asprey,ACB,28,979,1972","x","","IOF41-;iodine oxide tetrafluoride anion")
mo("F-IF7",-22,",I;F1786;1858","72;90;144;180","W.T.Adams,H.B.Thompson,L.S.Bartell,JCP,53,4040,1970","ed","","IF7;iodine heptafluoride")
mo("F-IOF6A",-22,",I;O1775;F182;1824;1871;1902","654;693;767;835;OF965;F1339;1447;1515;OF180","W. J. Adams, H. B. Thompson, L. S. Bartell JCP 53, 4040 (1970)","ed","","IOF61-;iodine oxide hexafluoride anion")
mo("INAFAKOH",-8,"M,In;C2169;2189;2241;N2281","C1089;1105;1194;CN973;1054;1129",".GAAFAJUM","x","AFAKOH","[(C7H19LiN2Si2)In(CH3)3]2;bis(/m~3~-N'-t-butyl-N-(trimethylsilyl)hydrazido-N,N,N')-hexamethyl-diindium-dilithium")
mo("INBAPTUH",-8,"M,In;C2149;2156;N2280;2284","C1224;CN1091;1098;1120;1122;N851","O.T.Beachley Junior,C.Bueno,M.R.Churchill,R.B.Hallock,R.G.Simmons,'Inorg.Chem. ',20,2423,1981","x","BAPTUH","[In(CH3)2(C7H8N)]2;bis(/m~2~-methylphenylamido)-tetramethyl-diindium")
mo("INBATGIM",-13,"M,In;C2129;Cl2367;O2136;2204;2405","CCl1217;O957;1102;1292;ClO913;971;1076;O703;725;1426","M.Veith,S.Hill,V.Huch,'Eur.J.Inorg.Chem. ',,1343,1999","x","BATGIM","In(CH3)(C7H7O2)Cl]2;bis[(/m~2~-2-methoxyphenolato)-chloro-methyl-indium]")
mo("IRJURLUD",-6,"M,Ir;C1972;1979;2051","C1061;1065;1099","R.S.Hay-Motherwell,G.Wilkinson,B.Hussain-Bates,M.B.Hursthouse,'J.Chem.Soc.,Dalton Trans. ',,3477,1992","x","JURLUD","Ir(C9H11)3;trimesityl-iridium(III)")
mo("IRJURMEO",-8,"M,Ir;C2004;2009;2019;2037","C954;964;1148;1168;1170;1178",".IRJURLUD","x","JURMEO","Ir(C9H11)1+;tetramesityl-iridium(V) cation")
mo("IRCETPIR",-9,"M,Ir;C2111;2124;Cl2370;P2312;2318","C379;CCl1562;1658;CP916;926;927;ClP873;878;P1746","R.J.Restivo,G.Ferguson,T.L.Kelly,C.V.Senoff,'J.Organomet.Chem. ',90,101,1975","x","CETPIR","[(C6H5)3P]2(C2H4)IrCl;trans-chloro-ethylene-bis(TPP) iridium(I)")
mo("IRKUVVAY",-9,"M,Ir;C2073;2210;2274","C356;797;860;907;925;939;946;1519;1706","M.P.Garcia,M.V.Jimenez,L.A.Oro,F.J.Lahoz,P.J.Alonso,'Angew.Chem.,Int.Ed.Engl. ',31,1527,1992","x","KUVVAY","(C8H12)Ir(C6Cl5)2;(/h^4^-1,5-cyclooctadiene)-bis(pentachlorophenyl)-iridium(II)")
mo("IRRELYAI",-13,"M,Ir;C2124;H1400;P2308","CH1039;CP824;H1523;HP861;976;P1648","M.Gupta,C.Hagen,W.C.Kaska,R.E.Cramer,C.M.Jensen,'J.Am.Chem.Soc. ',119,840,1997","x","RELYAI","Ir(C24H45P2)H2;dihydro-2,6-bis(di-t-butylphosphinomethyl)phenyl-iridium(III)")
mo("IRACAJIX",-16,"M,Ir;C2007;N2115","C969;CN798;919;1709;N918","V.V.Grushin,N.Herron,D.D.LeCloux,W.J.Marshall,V.A.Petrov,Ying Wang,'Chem.Commun. ',,1494,2001","x","ACAJIX","Ir(C12H6F4N)3;tris(2-(4-fluoromethylphenylene)-5-trifluoromethylpyridine)-iridium")
mo("IRBIYJIC",-16,"M,Ir;C2127;Cl2467;H1641;P2310;2311;2337","CCl1761;CH883;CP874;928;952;ClH878;ClP847;863;965;HP808;854;1752;P970;975;1638","D.Milstein,J.C.Calabrese,'J.Am.Chem.Soc. ',104,3773,1982","x","BIYJIC","[(CH3)3P]3Ir(C2H3O)(Cl)H;cis-Chloro-formylmethyl-hydrido-tris(trimethylphosphine)-iridium(I)")
mo("IRCAFREG",-16,"M,Ir;C1880;Cl2370;2373;P2408","CCl876;1800;CP901;Cl924;1752;ClP874;899;926;P1798","F.Demartin,N.Masciocchi,ACSC,39,1225,1983","x","CAFREG","[(C6H5)3P]2(CO)IrCl3;carbonyl-mer-trichloro-trans-(bis(TPP))-iridium(III)")
mo("IRFIDREP",-16,"M,Ir;Cl2487;H1633;1643;N2340;P2287;2293","ClH1038;1799;ClN847;ClP893;924;H762;HN953;1660;HP801;877;906;1023;NP883;891;P1767","M.D.Fryzuk,P.A.MacNeil,S.J.Rettig,'J.Am.Chem.Soc. ',109,2803,1987","x","FIDREP","(C30H37NP2Si2)Ir(Cl)H2;chloro-dihydrido-(N,N-bis(((diphenylphosphino)methyl) dimethylsilyl)amine-N,P,P')-iridium(III)")
mo("IRFIMYOP",-16,"M,Ir;As2490;Br2455;2463","As1800;AsBr883;885;915;917;Br894;906;1800","R.A.Cipriano,W.Levason,D.Pletcher,N.A.Powell,M.Webster,'J.Chem.Soc.,Dalton Trans. ',,1901,1987","x","FIMYOP","[(CH3CH2)3As]2IrBr4;tetrabromo-bis(triethylarsine)-iridium(IV)")
mo("IRGALQAL",-16,"M,Ir;Cl2325;2327;2328","Cl894;899;901;906;1800","M.Allevi,D.Capitani,A.Ettorre,P.Mura,'Inorg.Chim.Acta ',282,17,1998","x","GALQAL","IrCl62-;hexachloro-iridium(IV) anion")
mo("IRRILVOX",-16,"M,Ir;N1993;1994;2189","N885;886;900;914;915;1800","H.Huckstadt,H.Homborg,'Z.Naturforsch.,B:Chem.Sci. ',52,1003,1997","x","RILVOX","Ir(C32H16N8)(NO2)21-;trans-dinitro-phthalocyaninato-iridium(III) anion")
mo("IRJAMW~1",-15,"M,Ir;C1985;2024;P2268;2369;2379","C847;CP873;877;906;1037;1522;1638;P930;1030;1049","J.R.Bleeke,R.Behm,Yun-Feng Xie,M.Y.Chiang,K.D.Robinson,A.M.Beatty,'Organometallics ',16,606,1997","x","JAMWID10","[(CH3CH2)3P]3Ir(C7H9);1,1,1-tris(triethylphosphine)-3,5-dimethyl-1-iridabenzene")
mo("IRFUSCAX",-37,"M,Ir;C1881;1885;2169;2218;Ir2775;2781;2782;2783","C920;934;951;1010;1017;1575;CIr495;514;516;519;959;964;986;997;1091;1107;1112;1115;1446;1461;1504;1522;Ir599;600;898;900","L.Garlaschelli,S.Martinengo,P.L.Bellon,F.Demartin,M.Manassero,M.Y.Chiang,Chiau-Yu Wei,R.Bau,'J.Am.Chem.Soc. ',106,6664,1984","x","FUSCAX","(CO)4[(CO)2Ir]6;tetrakis(/m~3~-carbonyl)-dodecacarbonyl-hexairidium")
mo("IRVALMAR",-42,"M,Ir;C2176;2194;2205;N1713","C376;377;378;629;632;634;CN1458;1461;1475","D.S.Glueck,F.J.Hollander,R.G.Bergman,'J.Am.Chem.Soc. ',111,2719,1989","x","VALMAR","Ir(C10H10)(C4H14N);t-butylimido-(MCP)-iridium(III)")
mo("IREFIJIM",-43,"M,Ir;C2046;2057;2207;2208;2217;2236;2241;P2257","C368;373;376;377;385;391;625;626;627;628;635;1000;1008;1095;1164;1177;1225;1442;1526;1546;1608;CP891;911;1004;1147;1197;1508;1573","R.P.Hughes,A.Williamson,R.D.Sommer,A.L.Rheingold,'J.Am.Chem.Soc. ',123,7443,2001","x","EFIJIM","[(CH3)3P]Ir(C10H15)(C6F4);(/h^2^-tetrafluorobenzyne)-(MCP)-(trimethylphosphine)-iridium")
mo("IRBUHIPI",-44,"M,Ir;C2141;2162;2202;2277;H1766;P2300;2322","C375;378;389;668;675;757;CH848;958;1310;1604;CP950;964;1043;1046;1129;1351;1396;1503;HP799;911;P1118","G.del Piero,G.Perego,M.Cesari,'Gazz.Chim.Ital. ',105,529,1975","x","BUHIPI","[(C3H7)3P]2(C4H6)IrH;butadiene(hydrido)bis(triisopropylphosphine)-iridium(I)")
mo("IRCLHPCI",-44,"M,Ir;C2122;2131;2155;2171;2194;Cl2397;2451;H1939","C375;382;383;384;392;625;634;636;653;659;CCl915;1004;1005;1010;1175;1311;1337;1375;1538;1654;CH848;936;1123;1310;1478;Cl913;ClH895;952","","x","CLHPCI",".H_CLHPCI;")
mo("F-K2",-1,",K;K392","",".F-CNCAT","uv","","K2;dipotassium")
mo("F-KH",-1,",K;H224","",".F-CNCAT","uv","","KH;potassium hydride")
mo("KCL",-1,"M,K;Cl279","","TID","ed","","KCl;potassium chloride")
mo("KBR",-1,"M,K;Br294","","TID","ed","","KBr;potassium bromide")
mo("KI",-1,"M,K;I323","","TID","ed","","KI;potassium iodide")
mo("K_MUVTAY",-19,"M,K;O2795;2799;2835","O601;605;610;1190;1195;1199;1800","Md.A.Hossain,D.R.Powell,K.Bowman-James,'Acta Crystallogr.,Sect.E:Struct.Rep.Online ',59,m57,2003","x","MUVTAY","(C12H241O6)K1+;(18-crown-6)-potassium cation")
mo("K_SIDGIV",-29,"M,K;N2987;2998;O2808;2816;2819;2823;2842;2861","N1794;NO599;603;604;606;607;612;1189;1191;1194;1195;1198;1203;O595;602;603;946;968;983;988;993;1166;1199;1203;1349;1387;1403","J.E.Ellis,Kai-Ming Chi,'J.Am.Chem.Soc. ',112,6022,1990","x","SIDGIV","(C18H36N2O6)K1+;(cryptand[2,2,2])-potassium cation")
mo("KR2CAT",-1,"M,Kr;Kr2600","","H.U.Mittman,H.P.Weise,Z. Naturforsch.,A29, 400,1974","uv",":C37240747","Kr21+;dikrypton cation")
mo("KRF",-1,"M,Kr;F1765","","J.F.Lehmann,D.A.Dixon,G.J.Schrobilgen,IOC,2001,40,3002","x","","KrF1+ AsF61-;krypton fluoride cation with hexafluoroarsine(V) anion")
mo("KR2F3",-1,"M,Kr;F1799","",".KRF","x","","(KrF1+)2 F1-;krypton fluoride cation with fluoride anion")
mo("KRF2",-2,"M,Kr;F1897","F1800",".KRF","x","","KrF2;krypton difluoride")
mo("LADEGDEY",-17,"M,La;N2734;2742;2744;2749;2764;2766;2767;2769;2796;2830;2831","598;603;604;607;608;609;612;614;616;619;623;626;628;633;637;646;653;657;663;664;666;667;669;671;672;1135;1139;1148;1149;1152;1153;1156;1157;1160;1161;1165;1166;1167;1168;1171;1172;1175;1176;1177;1179;1180;1181;1185;1186;1191;1750;1760;1762;1775;1781","R.Schwesinger,K.Piontek,W.Littke,H.Prinzbach,'Angew.Chem.,Int.Ed.Engl. ',24,318,1985","x","DEGDEY","(C6H9N3)4La3+;cis-tetrakis(triaza-tris(/s-homobenzene))-lanthanum(III) cation")
mo("LADIBSUC",-26,"M,La;O2445;2446;2451;2463;2471;2499;2523;2544","673;677;698;704;710;711;720;735;739;745;806;815;820;822;903;940;944;1094;1191;1210;1327;1368;1369;1396;1410;1483;1509;1537","Wei Anzhi,Teng Maikun,Dai Jinbi,Liang Dongcai,Sun Jiabin,'Zhongguo Kexue Jishu Daxue Xuebao(Chin.)(J.Chin.Univ.Sci.Tech.Suppl) ',14,140,1984","x","DIBSUC","La(C8H4F3O2S)41-;tetrakis(4,4,4-trifluoro-1-(2-thienyl)-1,3-butadione)-lanthanum(III) anion")
mo("LANASLUO",-26,"M,La;Br2944;2986;2991;O2405;2625;2626;2646","Br788;796;1257;BrO754;784;800;805;818;825;847;858;1278;1354;1383;1392;1414;1442;1452;O611;618;622;627;751;812;926;942;1330;1432","C.Runschke,G.Meyer,'Z.Anorg.Allg.Chem. ',623,1017,1997","x","NASLUO","(C3H6O)(C8H16O4)LaBr3;acetone-(12-crown-4)-tribromo-lanthanum(III)")
mo("LADMSO~1",-39,"M,La;O2450;2488;2646;2665;2738","469;474;657;679;693;699;719;737;745;746;763;793;847;961;1144;1168;1242;1248;1301;1335;1405;1410;1440;1563;1607","L.I.Semenova,B.W.Skelton,A.H.White,'Aust.J.Chem. ',49,997,1996","x","DMSOLA01","(C2H6SO)4La(NO3)3;tetrakis(dimethylsulfoxide)-tris(nitrato)-lanthanum(III)")
mo("F-LI2",-1,",Li;Li267","",".F-CNCAT","uv","","Li2;dilithium")
mo("F-LIH",-1,",Li;H160","",".F-CNCAT","uv","","LiH;lithium hydride")
mo("LIXEPLUZ",-8,"M,Li;O1883;1919","O1045;1097;1102;1111","I.L.Fedyushkin,T.V.Petrovskaya,F.Girgsdies,V.I.Nevodchikov,R.Weimann,H.Schumann,M.N.Bochkarev,'Izv.Akad.Nauk SSSR,Ser.Khim.(Russ.)(Russ.Chem.Bull.) ',,1897,2000","x","XEPLUZ","(C4H8O)4Li1+;tetrakis(tetrahydrofuran)lithium cation")
mo("LIAFAKEX",-6,"M,Li;H2194;N2010;2093","HN1031;1213;N1248",".GAAFAJUM","x","AFAKEX","[(C7H19LiN2Si2)Ga(CH3)3]2~;.GAAFAJUM")
mo("LIJOJROP",-15,"M,Li;Cl2290;O2128","ClO1159;O790;1283","F.Gingl,W.Hiller,J.Strahle,H.Borgholte,K.Dehnicke,'Z.Anorg.Allg.Chem. ',606,91,1991","x","JOJROP","(C8H16O4)LiCl;(12-crown-4)-chloro-lithium")
mo("LIGEFJUW",-15,"M,Li;N2029;O1958;2074","NO1024;1086;O815;889;915;1488","G.W.Buchanan,R.A.Kirby,J.P.Charland,'J.Am.Chem.Soc. ',110,2477,1988","x","GEFJUW","(C18H32O4)Li(NCS);cis-syn-cis-dicyclohexano-14-crown-4-isothiocyanato-lithium")
mo("LITUVCUI",-26,"M,Li;O2215;2256;2363;2371;2399;2458;2472;2494","O688;692;700;716;719;729;734;764;769;803;808;816;826;829;844;1095;1103;1116;1134;1382;1384;1409;1424;1458;1462;1464;1470","M.Scheibitz,R.F.Winter,M.Bolte,H.-W.Lerner,M.Wagner,'Angew.Chem.,Int.Ed.Engl. ',42,924,2003","x","TUVCUI","(C8H16O4)2Li1+;bis(12-crown-4)-lithium cation")
mo("LUZZZA~1",-32,"M,Lu;O2317;2318;2496;2497;2498","O661;662;726;753;902;903;1200;1346;1347;1387","R.E.Gerkin,W.J.Reppart,ACSC,40,781,1984","x","ZZZARM01","(H2O)9Lu3+;nonaaqua-lutetium cation")
mo("LUVILCEY",-43,"M,Lu;C2550;2565;2573;2576;2586;2596;2599;2606;2607;H2124;2147","C314;315;316;317;318;320;327;328;518;522;528;530;531;534;535;537;800;824;826;990;991;1003;1082;1083;1125;1126;1199;1204;1309;1311;1317;1321;1326;1389;1486;1499;1513;1518;1628;1744;CH815;818;833;862"+";866;898;936;941;1060;1087;1094;1100;1170;1209;1253;1267;1341;1355;1356;1380;H752","","x","VILCEY",".H_VILCEY;")
mo("LUYEZNAS",-47,"M,Lu;C2414;2416;2417;2422;2424;2428;2441;2502;2509;2514;2529","C316;321;324;325;326;329;331;333;334;342;357;539;542;546;623;624;626;630;639;659;666;856;858;859;868;871;880;884;893;957;963;969;993;1021;1026;1036;1045;1051;1069;1073;1074;1108;1111;1113;1137;1148;1153;1156"+";1177;1243;1247;1250;1251;1271;1286;1362;1368;1369;1370;1419;1443;1477;1478;1488;1564;1565;1566;1576;1578;1582;1644","H.Schumann,J.Winterfeld,M.Glanz,R.D.Kohn,H.Hemling,'J.Organomet.Chem. ',481,275,1994","x","YEZNAS","Lu(C8H8)(C11H17);(/h^8^-cyclooctateraenyl)-(/h^5^-ethyltetramethyl-cyclopentadienyl)-lutetium(III)")
mo("LUZEFTEJ",-51,"M,Lu;C2440;2567;2614;2620;2629;2636;2641;2656;2658;2677;2692;2703;2740","C293;297;302;303;304;307;311;315;318;555;559;563;569;570;575;585;714;724;739;741;742;744;749;750;785;793;798;827;832;835;855;904;907;916;928;930;945;1020;1024;1058;1073;1080;1081;1095;1098;1100;1103;1108"+";1117;1123;1127;1152;1153;1195;1216;1295;1296;1313;1322;1330;1350;1351;1352;1362;1380;1391;1393;1399;1408;1452;1463;1552;1635;1650","M.B.Zielinski,D.K.Drummond,P.S.Iyer,J.T.Leman,W.J.Evans,'Organometallics ',14,3724,1995","x","ZEFTEJ","Lu(C7H11)(C14H22);(/h^5^-2,4-dimethylpentadienyl)-(/h^3^,/h^5^-2,4,7,9-tetramethyldeca-1,3,8-trienyl)-lutetium")
mo("MGBAFKAV",-8,"M,Mg;H1883;N2065","H796;HN1015;1143;N1332","","x","BAFKAV",".H_BAFKAV;")
mo("MGBOFSAQ",-8,"M,Mg;C2154;O2075","C1269;CO1064;1091;O941","M.F.Lappert,T.R.Martin,C.L.Raston,B.W.Skelton,A.H.White,'J.Chem.Soc.,Dalton Trans. ',,1959,1982","x","BOFSAQ","[(C4H8O)2Mg(C8H8)]3;cyclo-tris(/m~2~-(o-phenylenedimethylene)-bis(tetrahydrofuran)-magnesium)")
mo("MGBADT~1",-16,"M,Mg;O2047;2053;2068","887;891;896;904;909;913;1800","E.Dubler,G.B.Jameson,Z.Kopajtic,'J.Inorg.Biochem. ',26,1,1986","x","BADTEX10","(H2O)6Mg2+,C5H3N4O31-;hexaaqua-magnesium cation with hydrogenurate anion")
mo("MGBAYJIU",-16,"M,Mg;N2229;O2037;2077","N888;NO879;910;947;1751;O857;890;956;1721","S.Halut-Desportes,'Rev.Chim.Miner. ',18,199,1981","x","BAYJIU","(C5H5)2(H2O)4Mg2+;tetraaqua-dipyridine-magnesium dichloride")
mo("MGBUMREG",-16,"M,Mg;Cl2500;2515;O2002;2016;2021;2051","Cl807;ClO877;883;930;936;940;942;1726;1749;O872;882;903;910;920;1777","J.C.J.Bart,I.W.Bassi,M.Calcaterra,E.Albizzati,U.Giannini,S.Parodi,'Z.Anorg.Allg.Chem. ',496,205,1983","x","BUMREG","(C4H7ClO2)3Mg[(C2H2ClO2)TiCl5];(/m~2~-chloroacetato)-bis(/m~2~-chloro)-(trichloro-titanium)-tris(ethyl-chloroacetate-O)-magnesium")
mo("MGGANQIV",-16,"M,Mg;N2220;2361;S2625","N879;921;1800;NS868;894;906;932;S1800","S.Chadwick,U.Englich,M.O.Senge,B.C.Noll,K.Ruhlandt-Senge,'Organometallics ',17,3077,1998","x","GANQIV","(C5H5N)4Mg(C6H5S)2;bis(phenylthiolato)-tetrakis(pyridine)-magnesium")
mo("MGJADJED",-16,"M,Mg;O2069","O885;915;1800","G.Valle,G.Baruzzi,G.Paganetto,G.Depaoli,R.Zannetti,A.Marigo,'Inorg.Chim.Acta ',156,157,1989","x","JADJED","(CH3CH2OH)6Mg2+;hexa(ethanolato-O)-magnesium cation")
mo("MGBZMGIC",-22,"M,Mg;N2059;2063;O2170;2176;2178;2195;2205","N1779;NO848;863;884;899;904;909;911;914;932;937;O688;725;728;730;734;1413;1417;1448;1454;1458","J.D.Owen,'J.Chem.Soc.,Dalton Trans. ',,1418,1978","x","BZMGIC","(C14H20O5)Mg(NCS)2;(benzo-15-crown-5)-bis(isothiocyanato)-magnesium")
mo("permanganate1",8,"PERMAN~1,Mn;O1605;1607;1611;1616","1091;1094;1095;1096;1097","Dongmok Whang,Sung-Kwon Chung,Kimoon Kim,ACC,47,2672,1991","x","VOGVOC","MnO41-;permanganate anion")
mo("permanganate2",8,"PERMAN~2,Mn;O140;143;1456;1461","988;1059;1083;1113;1148;1176","H.Karaman,R.J.Barton,B.E.Robertson,D.G.Lee,J.Org.Chem.,49,4509,1984","x","MEPHMN10",".permanganate1;")
mo("permanganate3",8,"PERMAN~3,Mn;O1373;1421;1519;157","1006;1057;1079;1121;114;1156",".permanganate2","x","CUWMAI",".permanganate1;")
mo("mnco5-1",13,",Mn;C1753;1772;1781;1803","88;914;93;1146;1225;1789",".mnco3a3-1","x","FUDKAQ","Mn(CO)51-;manganese pentacarbonyl anion")
mo("mnco5-2",13,",Mn;C1797;1798;1805;1825;1826","87;877;88;905;913;961;1165;1187;1248;1725","B.Balbach,S.Baral,H.Biersack,W.A.Herrmann,J.A.Labinger,W.R.Scheidt,F.J.Timmers,M .L.Ziegler, Organometallics,7,325,1988","x","HCPDNB10",".mnco5-1;")
mo("mnco5-3",13,",Mn;C1791;1797;1799;1814","886;89;892;899;917;918;1157;122;1222;1784","M.S.Corraine,C.K.Lai,Yueqian Zhen,M.R.Churchill,L.A.Buttrey,J.W.Ziller,J.D.Atwood,Organometallics,11,35,1992","x","JOLWEM",".mnco5-1;")
mo("3mdssite",13,",Mn;O1783;N208;O209;N2136;2177","ON856;O871;ON891;N907;ON929;N934;ON1104;1179;N1317;ON1716","(see PDB file)","x","3mds","Mn ion (enzyme);superoxide dismutase; Thermus thermophilus")
mo("mnco3a3-1",16,"MNCO3A~1,Mn;C1764;177;N2095;2097","852;866;C878;915;NC;916;942;1764;179","M.Herberhold,F.Wehrmann,D.Neugebauer,G.Huttner,JOMC,152,329,1978","x","FUDKAQ","(CO)3(NH3)3Mn1+;fac-triammonium-tricarbonyl-manganese(I) cation")
mo("MnO6-1",16,",Mn;O2154;2156;217;2172;2198;2222","857;864;877;881;885;89;891;894;928;931;936;961;1732;1755;1766","M.B.Cingi,A.M.M.Lanfredi,A.Tiripicchio,G.Bandoli,D.A.Clemente,Inorg.Chim.,Acta,52,237,1981","x","BIKRAO","(H2O)6Mn2+;hexaaquomanganese(II) cation")
mo("mnthf6-1",16,",Mn;O2184;2192;2196","893;898;899;901;902;907;180","G.Kong,G.N.Harakas,B.R.Whittlesey,JACS,117,3502,1995","x","YUGWOM","(C4H8O)6Mn2+;hexakis(tetrahydrofuran)manganese(II) cation")
mo("MNBAQXAS",-22,"M,Mn;O2151;2164;2246;2289","O713;731;838;884;887;902;988;1426;1435;1437;1768","H.O.N.Reid,I.A.Kahwa,A.J.P.White,D.J.Williams,'Chem.Commun. ',,1565,1999","x","BAQXAS","(C10H20O5)(H2O)2Mn2+;diaqua-(15-crown-5)-manganese(II) cation")
mo("MNSOLJIM",-47,"M,Mn;C2126;2128;2129;2134","C388;390;391;392;394;654;655;656;658;1101;1109;1119;1196;1209;1215;1298;1306;1316;1515;1520;1535;1661;1668;1680","W.E.Broderick,J.A.Thompson,B.M.Hoffman,'Inorg.Chem. ',30,2958,1991","x","SOLJIM","(C10H15)2Mn1+;decamethylmanganocenium cation")
mo("moco6-1",16,",Mo;C2053;2055;2062;2065","895;896;897;899;905;907;1793;1798","T.C.W.Mak,Z.Kristallogr.,166,277,1984","x","FUBYIK","(CO)6Mo;molybdenum hexacarbonyl")
mo("mMopyr3Cl3",16,"MMOPYR~1,Mo;N2163;2189;2224;Cl2422;2425;2437","N877;NCl88;886;891;896;N;NCl904;906;Cl909;NCl922;Cl925;1766;N1773;NCl1779","J.V.Brencic,Z.Anorg.Allg.Chem.,403,218,1974","x","CLPYMO10","(C5H5N)3MoCl3;mer-trichlorotris(pyridine)molybdenum(III)")
mo("fMotpzCl3",16,"FMOTPZ~1,Mo;N2181;2198;Cl243;2433","N857;868;NCl898;909;913;Cl;931;NCl1737;1763","M.Millar,S.Lincoln,S.A.Koch,JACS,104,288,1982","x","BEHGOK","Mo[BH(C5H7N2)3]Cl31-;fac-tris(3,5-dimethylpyrazolyl)borato-molybdenum(III) anion")
mo("MO_03162",-45,"M,Mo;C1965;1976;1983;2308;2317;2345;2356;2376;W3224;","C346;349;350;352;356;579;581;584;585;588;781;792;873;889;963;973;1059;1061;1078;1178;1183;1207;1213;1400;1423;1441;1526;1547;CW709;717;871;1033;1060;1288;1385;1409;","G.Miessler,K.M.Van Heuvelen,private communication","x","","[(CO)3Mo(C5H5)][(CO)3W(C5H5)];1,1,1,2,2,2-hexacarbonyl-1,2-bis(CP)-molybdenum-tungsten")
mo("MO_03163",-45,"M,Mo;C2230;2287;2386;S2329;2466","C337;348;362;579;585;598;CS810;889;948;974;1003;1172;1293;1336;1349;1468;S707;817;837;1304","G.Miessler,K.M.Van Heuvelen,private communication","x","","Mo(C5H5)(S2C4F6)(S2CNCH3);(CP)-(N,N-dimethyldithiocarbamato)-1,2-bis(trifluoromethyl)ethylene-1,2-dithiolato-tungsten")
mo("mocp2h2-1",-49,"MOCP2H~1,Mo;H1684;C2239;2277;2278;2325;2327","353;358;37;599;60;601;614;615;HC702;703;H755;C865;HC882;89;916;923;C1022;1049;1062;HC1248;1255;1267;1272;C1296;1303;1363;1379;1381;1407;1418;1573;1583;162;1622","A.J.Schultz,K.L.Stearley,J.M.Williams,R.Mink,G.D.Stucky,IOC,16,3303,1977","nd","HCYPMO02","Mo(C5H5)2H2;bis(CP)dihydridomolybdenum(IV)")
mo("N2A",-1,"M,N;N1095","","TID","uv",":C7727379","N2;dinitrogen")
mo("N2",1,",N;N110","","Wells,p.807","uv",":C7727379",".N2A;")
mo("F-N2CAT",-1,",N;N147","",".F-CNCAT","uv","","N21+;dinitrogen radical cation")
mo("NOA",-1,"M,N;O1150","","N.L.Nichols,C.D.Hause,R.H.Noble,JCP,1955,23,57","ir","","NO;nitric oxide radical")
mo("F-NOCAT",-1,",N;O106","","Canad.J.Phys.,33,355,1955","uv","","NO1+;nitric oxide cation")
mo("N3minus",2,",N;N118","180","G.E.Pringle,D.E.Noakes,Acta Cryst.,1968,B24,262","x","","N31-;azide anion")
mo("N_GEGTOB",-2,"M,N;N1144;1188","N1800",".SRGEGTOB","x","GEGTOB","N31-~;azide anion (with a strontium complex cation)")
mo("F-N2O",-2,",N;N1126;O1186","ON180","A. E. Douglas, C. K. Moller JCP 22, 275 (1954)","ir,mw","","N2O;dinitrogen oxide")
mo("F-NO2CAT",-2,",N;O115","180","E. Grison, K. Eriks,J. L. de Vries, Acta Cryst. (1950). 3, 290-294","x","","NO21+;nitrogen dioxide cation")
mo("N_VALMAR",-2,"M,N;C1446;Ir1713","CIr1772","","x","VALMAR",".IRVALMAR;")
mo("N_JIVKII",-3,"M,N;C1326;1348","C1235","P.Veya,C.Floriani,A.Chiesi-Villa,C.Guastini,'Chem.Commun. ',,991,1991","x","JIVKII","C14H12N11-;1,3-diphenyl-2-azaallyl anion")
mo("N2H2",3,",N;H1014;N123","NH100","E.J.Blau,B.F.Hochheimer,JCP,1964,41,1174","x","","N2H2;diimide")
mo("N2F2cis",3,",N;N121;F138","NF1145","R.K.Bohn,S.H.Bauer,IOC,6,309,1967","ed","","N2F2;cis-1,2-difluorodiazine")
mo("N2F2trans",3,"N2F2TR~1,N;N123;F140","NF106",".N2F2cis","ed","","N2F2~;trans-1,2-difluorodiazine")
mo("HN3-W",3,",N;H98;N124","NH114","JCP,41,999,1964","mw","","HN3;hydrogen azide")
mo("NO2",-3,"M,N;O1210","O1300","TID","ed","","NO2;nitrogen dioxide radical")
mo("NO2A",-3,"M,N;O1197","134","G.R.Bird,JCP,1956,25,1040","mw","",".NO2;")
mo("nitriteA-3",3,"NITRIT~1,N;O1162;1262","1077","R.Allmann,S.Kremer,D.Kucharzcyk,ICA,85,L19,1984","x","CEZNIE","NO21-;nitrite anion")
mo("nitriteA-4",3,"NITRIT~2,N;O1223;1229","1163","M.J.Goldberg,R.E.Marsh,ACB,35,960,1979","x","DENNIN",".nitriteA-3;")
mo("F-NOFA",-3,",N;O113;F152","OF110","D. W. Magnuson, JCP 19, 1071 (1951)","mw","","NOF;nitrosyl fluoride")
mo("NOCL",-3,"M,N;Cl1950;O1140","ClO1160","TID","ed","","NOCl;nitrosyl chloride")
mo("F-NOCLA",-3,",N;O114;Cl197","OCl113","J.D.Rogers,W.J.Pietenpol,D.Williams PR,83,431,1951","mw","",".NOCL;")
mo("F-NOBR",-3,",N;O115;Br214","OBr117","J. A. A. Ketelaar, K. J. Palmer; J. Am. Chem. Soc.; 1937; 59(12); 2629-2633.","ed","","NOBr;nitrosyl bromide")
mo("N_HIHQAQ",-3,"M,N;P1581;1586","P1358","P.G.Jones,'Private Communication ',,,1999","x","HIHQAQ","[(C6H5)3P]2N1+;bis(TPP)iminium cation")
mo("NPh3",4,",N;C1416;1418;1422","1186;120;1204","A.N.Sobolev,V.K.Belsky,I.P.Romm,N.Yu.Chernikova,E.N.Guryanova,ACC,41,967,1985","x","ZZZJCQ01","N(C6H5)3;triphenylamine")
mo("N(PhMe)3",4,",N;C1414;1418;143","1186;1187;1224","S.L.Reynolds,R.P.Scaringe,CSC,11,1129,1982","x","TOLAMA10","N(C7H7)3;tris(4-methylphenyl)amine")
mo("N(PhCl5)3",4,"N(PHCL~1,N;C1415;1429;143","1192;1216","K.S.Hayes,M.Nagumo,J.F.Blount,K.Mislow,JACS,102,2773,1980","x","CLPHAM","N(C6Cl5)3;tris(perchlorophenyl)amine")
mo("N_BOMQOJ",-4,"M,N;C1326;1364;Ge2112","C1189;CGe1194;1216","","x","BOMQOJ",".GEBOMQOJ;")
mo("N(PhOMe)3",4,"N(PHOM~1,N;C1422","1176","E.Muller,H.-B.Burgi,ACC,45,1400,1989","x","JAPCIM","N(C7H7O)3;tris(2-methoxyphenyl)amine")
mo("nitrateA-1",4,"NITRAT~1,N;O1204;1213;1238","119;1199;1211","B.Viossat,P.Khodadad,N.Rodier,Bull.Soc.Chim.Fr.,,69-1,1981","x","AQCOAM","NO31-;nitrate anion")
mo("nitrateA-2",4,"NITRAT~2,N;O1253;1256","1153;1189;1258","S.Natarajan,K.Ravikumar,S.S.Rajan,Z.Kristallogr.,168,75,1984","x","CADLIC20",".nitrateA-1;")
mo("nitrateA-4",4,"NITRAT~3,N;O1243;1247;1266","1181;1201;1218",".Co(NCS)4-1","x","ENICON",".nitrateA-1;")
mo("F-NO2F",-4,",N;O118;F147","OF112;O136","A.C.Legon,D.J.Millen,JCS A,,1736,1968","mw","","NO2F;nitryl fluoride")
mo("N2O4",4,",N;O119;N178","ON112;O135","B.W.McClelland,G.Gundersen,K.Hedberg,JCP,56,4541,1972","ed","","N2O4;dinitrogen tetroxide")
mo("NH3-1",6,",N;H982;1011;1046","959;1091;1234",".acetateA-2","x","AMACAM","NH3;ammonia")
mo("F-NH3",-6,",N;H1015","1066","A.Almenninger,O.Bastiansen,ACS,9,815,1955","ed","",".NH3-1;")
mo("N(Me)3",6,",N;C1448","1106;1107","R.Boese,D.Blaser,M.Y.Antipin,V.Chaplinski,A.de Meijere,Chem.Commun.,,781,1998","x","CEKGUU01","N(CH3)3;trimethylamine")
mo("(CH3CH2)3N-S3",6,"(CH3CH~2,N;C1462;1473;1488","1078;1086;109","F.Bottomley,R.W.Day,Organometallics,10,2560,1991","x","SOKXAR","N(CH2CH3)3;triethylamine")
mo("N(et)3",6,",N;C1471;1475","1097;113;1133","M.Born,D.Mootz,S.Schaefgen,Z.Naturforsch.,Teil B,50,101,1995","x","YINDUU","N(CH2CH3)3, H2O;triethylamine with water")
mo("(CH3CH2CH2)3N-S1",6,"(CH3CH~4,N;C1461;147;1474","109;1131;1137","E.Weber,N.Dorpinghaus,I.Goldberg Chem.Commun.,,1566,1988","x","SADFEI","N(CH2CH2CH3)3;tripropylamine")
mo("(CH3CH2CH2)3N-S2",6,"(C6999~1,N;C1446;1472;152","109;1128;1163","I.Goldberg,Z.Stein,E.Weber,N.Dorpinghaus,S.Franken,JCS,Perkin Trans.2,,953,1990","x","SEWWUM",".(CH3CH2CH2)3N-S1;")
mo("(C6H5CH2)3N-S1",6,"(C6H5C~1,N;C1465;1471;1478","1084;1099;1114","F.Iwasaki,H.Iwasaki,ACB,28,3370,1972","x","TBENZA","N(C7H7)3;tribenzylamine")
mo("F-NHF2",-6,",N;H1026;F140","HF100;F1029","D. R. Lide, Jr. JCP 38, 456 (1963)","mw","","NHF2;difluoroamine")
mo("F-NF3",-6,",N;F137","1025","V. Schomaker, C.-S. Lu,JACS,72,1182,1950","ed","","NF3;trifluoroamine (nitrogen trifluoride)")
mo("F-NCL3",-6,",N;Cl175","1068","I. C. Bowater, R. D. Brown, F. R. Burden Zeit. Anorg. Allg. Chem. 413 61 (1975)","x","","NCl3;trichloroamine (nitrogen trichloride)")
mo("NI3-S1",6,",N;I214;2145","1088;1106","H.Pritzkow,Z.Anorg.Allg.Chem.,409,237,1974","x","HMTNTI","NI3;triiodoamine (nitrogen triiodide)")
mo("NH4-1",8,",N;H101;1023;1037;1052","1055;1087;1089;1095;112","S.Vilminot,E.Philippot,M.Lehmann,ACB,32,1817,1976","nd","AGLYSL01","NH41+;ammonium cation")
mo("NH4-2",8,",N;H1013;1019;1031;1039","1077;1082;1087;1099;1101;1123","J.C.Taylor,T.M.Sabine,ACB,28,3340,1972","nd","AMOXAL03",".NH4-1;")
mo("NH4-3",8,",N;H967;991;1012;102","1082;1089;1093;1098;1117",".H2O-3","nd","AMOXNB",".NH4-1;")
mo("NH4-4",8,",N;H1006;1017;1065;1067","1047;1072;1078;1095;111;1162","V.S.Yadava,V.M.Padmanabhan,Pramana,6,94,1976","nd","AMTART11",".NH4-1;")
mo("(CH3)4N",8,",N;C1479;148;1495","1065;1098;1109","K.O.Christe,E.C.Curtis,D.A.Dixon,H.P.Mercier,J.C.P.Sanders,G.J.Schrobilgen,JACS,113,3351,1991","x","SOBWAH","N(CH3)41+;tetramethylammonium cation")
mo("(CH3CH2)3(CH3)N-S1",8,"(CH3CH~3,N;C1502;151;1515;1517","1066;1088;1092;1097;1102;1123","N.Korber,J.Daniels Polyhedron,15,2681,1996","x","NAFPAL","N(CH3)(CH2CH3)31+;methyl(triethyl)ammonium cation")
mo("N(CH2CH3)4-1",8,"N(CH2C~1,N;C1517","1033;1126","S.Pohl,W.Saak,B.Krebs,Z.Naturforsch.,Teil B,40,251,1985","x","DAMFIG","N(CH2CH3)41+;tetraethylammonium cation")
mo("N_MAKGUA",-8,"M,N;C1507;1515;1518;1523","C1064;1084;1094;1100;1112;1114","B.Lorenzen,W.Preetz,'Z.Anorg.Allg.Chem. ',626,667,2000","x","MAKGUA","N(CH2CH3)41+;tetraethylammonium cation")
mo("(CH3CH2CH2CH2)4N-S1",8,"(CH3CH~1,N;C1521;1525","1078;1081;1086;109;1115;1119","Qi Li,T.C.W.Mak J.Inclusion Phenom.Macrocyclic Chem.,20,73,1995","x","ZERQES","N(C4H9)41+;tetrabutylammonium cation")
mo("N_ROLSIU",-8,"M,N;C1521;1534;1535;1542","C1036;1070;1093;1095;1134;1135",".I_ROLSIU","x","ROLSIU","C11H24N1+;1,1,3,3,5,5-hexamethylpiperidinium cation")
mo("F-NA2",-1,",Na;Na308","",".F-CNCAT","uv","","Na2;disodium")
mo("F-NAH",-1,",Na;H189","",".F-CNCAT","uv","","NaH;sodium hydride")
mo("NACL",-1,"M,Na;Cl251","","TID","ed","","NaCl;sodium chloride")
mo("NABR",-1,"M,Na;Br264","","TID","ed","","NaBr;sodium bromide")
mo("NAI",-1,"M,Na;I290","","TID","ed","","NaI;sodium iodide")
mo("NALESNEC",-20,"M,Na;I3053;O2399;2405;2418;2442;2444","IO965;1045;1051;1095;1305;O681;682;684;695;702;1116;1190;1315;1350;1376","G.W.Buchanan,M.Gerzain,C.Bensimon,ACSC,50,1016,1994","x","LESNEC","(C10H20O5)NaI;(15-crown-5)-sodium iodide")
mo("NAFOPPOP",-26,"M,Na;O2447;2462;2472;2474;2497;2505;2513;2524","O676;682;686;687;688;690;828;831;839;851;855;867;871;878;1045;1058;1064;1412;1414;1423;1433;1458;1470;1473;1476","R.D.Rogers,E.J.Voss,'Inorg.Chim.Acta ',133,181,1987","x","FOPPOP","(C8H16O4)2Na1+;bis(12-crown-4)-sodium cation")
mo("NAFEJBAX",-30,"M,Na;O2333;2739;2755;2799","O599;603;610;856;862;873;927;938;944;1190;1197;1201;1800","D.J.Darensbourg,C.G.Bauch,A.L.Rheingold,'Inorg.Chem. ',26,977,1987","x","FEJBAX","(C12H24O6)(C4H8O)2Na1+;(18-crown-6)-bis(tetrahydrofuran)-sodium cation")
mo("nbco6-1",16,",Nb;C2089","892;908;180","F.Calderazzo,U.Englert,G.Pampaloni,G.Pelizzi,R.Zamboni,IOC,22,1865,1983","x","BILNEP10","(CO)6Nb1-;niobium hexacarbonyl anion")
mo("F-NBF7B",-23,",Nb;F1911;1926;1945;1949;1953;1955;197","739;758;764;767;769;772;787;792;797;80;831;902;977;1209;122;1232;1276;1405;1456;1555;1582","G. M. Brown and L. A. Walker Acta Cryst. (1966). 20, 220-229","x","","NbF72-;niobium heptafluoride anion")
mo("NBKENQID",-49,"M,Nb;C2358;2364;2370;2389;2418;2451;2471;2480;Cl2328;2355","C331;334;339;342;349;350;548;553;558;561;563;564;749;796;798;945;955;1036;1108;1120;1132;1251;1272;1298;1350;1452;1459;1567;CCl773;821;867;874;954;1030;1047;1115;1135;1201;1276;1298;1331;1355;1359;Cl993","R.J.Harrison,M.G.H.Wallbridge,E.DeBoer,D.J.Duncalf,A.McCamley,'J.Organomet.Chem. ',568,217,1998","x","KENQID","Nb(C9H13)2Cl21+;1,1'-di-t-butyl-dichloro-niobocenium(V) cation")
mo("NDHOXN~1",-41,"M,Nd;O2566;2576;2582;2588;2591;2598;2613;2686;2716;2742;2770","O484;486;594;598;610;615;616;617;619;621;626;628;646;655;657;660;661;668;680;690;692;693;695;700;710;718;725;997;1012;1022;1025;1091;1093;1121;1127;1133;1141;1150;1151;1190;1191;1194;1204;1221;1223;1241;1249;1251;1268;1278;1282;1302;1356;1613;1620;1635;1669;1700;1777","G.Bombieri,G.de Paoli,F.Benetollo,A.Cassol,'J.Inorg.Nucl.Chem. ',42,1417,1980","x","HOXNND10","(C12H24O6)Nd(NO3)3;(18-crown-6)-trinitrato-neodymium")
mo("nico4-1",8,",Ni;C1815;1819","1093;1097",".feco5-2","x","FOJBUB02","(CO)4Ni;tetracarbonylnickel(0) (nickel carbonyl)")
mo("tNien2Br2",16,"TNIEN2~1,Ni;N1936;1952;Br2635","N865;NBr891;898;902;909;N935;180;Br","M.Yamashita,E.Tsuruta,K.Inoue,M.Oyama,K.Toriumi,IOC,32,363,1993","x","SUGSUI","(C2H8N2)2NiBr2;trans-dibromo-bis(ethylenediamine)nickel(II)")
mo("niphen3-1",16,"NIPHEN~1,Ni;N2078;2079;209;2093;2095;2107","787;795;80;917;922;923;925;931;943;949;961;972;1689;1699;1705","B.A.Frenz ,J .A.Ibers,IOC,11,1109,1972","x","PNIMNC10","Ni(C12H8N2)32+;tris(1,10-phenanthroline)nickel(II) cation")
mo("nicp2-1",-47,",Ni;C2144;216;2161;2174;2181","36;361;373;379;388;611;614;622;626;633;1167;1174;1178;1186;1189;1412;1421;1427;1439;144;180","P.Seiler,J.D.Dunitz,ACB,36,2255,1980","x","NCKLCN","Ni(C5H5)2;bis(CP)nickel(II) (nickelocene)")
mo("F-O2CAT",-1,",O;O112","",".F-CNCAT","uv","","O21+;dioxygen radical cation")
mo("F-O2",-1,",O;O121","","I. L. Karle, JCP 23, 1739 (1955)","ed","","O2;dioxygen")
mo("F-O2-",-1,",O;O128","","S. C. Abrahams and J. Kalnajs Acta Cryst. (1955). 8, 503-506","x","","O21-;dioxygen radical anion")
mo("F-O2--",-1,",O;O149","","S. C. Abrahams and J. Kalnajs Acta Cryst. (1954). 7, 838-842","x","","O22-;peroxide anion")
mo("O_HAGJII",-2,"M,O;Al1711","Al1800","","x","HAGJII",".ALHAGJII;")
mo("H2O-1",3,",O;H894;939","1117","M.S.Hussain,E.O.Schlemper,IOC,18,2275,1979","nd","ABXNIH","H2O;water")
mo("H2O-2",3,",O;H935;964","1078","E.O.Schlemper,W.C.Hamilton,S.J.La Placa,JCP,54,3990,1971","nd","AMBONC01",".H2O-1;")
mo("H2O-3",3,",O;H941;951","1061","N.Galesic,N.Brnicevic,B.Matkovic,M.Herceg,B.Zelenko,M.Sljukic,B.Prelesnik,R.Herak,J.Less-Common Met.,51,259,1977","nd","AMOXNB",".H2O-1;")
mo("H2O-4",3,",O;H931;971","1082","A.R.Al-Karaghouli,B.Abdul-Wahab,E.Ajaj,S.Al-Asaff,ACB,33,1655,1977","nd","BARBAD01",".H2O-1;")
mo("H2O-5",3,",O;H937;953","1091","F.A.Cotton,L.R.Falvello,C.A.Murillo,A.J.Schultz,Eur.J.Solid State ,IOC,29,311,1992","nd","ZZZFQQ02",".H2O-1;")
mo("H2O-6",3,",O;H956;964","1059",".H2OX-1","nd","OXACDH04",".H2O-1;")
mo("H2O2-W1",3,",O;H99;O147","OH98","R.H.Hunt,R.A.Leacock,C.W.Peters,K.T.Hecht,JCP,42,1931,1965","ir","","H2O2;hydrogen peroxide")
mo("H2O2-W2",3,",O;H99;O147","OH98","W.R.Busing,H.A.Levy,JCP,42,3054,1965","nd","",".H2O2-W1;")
mo("H2O2",3,",O;H99;O132","OH1095","B.F.Pedersen,B.Bedersen,Acta Chemica Scand.,18,1454,1964","x","",".H2O2-W1;")
mo("O_HOXO~1",-3,"M,O;C1418;1422","C1127","E.Maverick,P.Seiler,W.B.Schweizer,J.D.Dunitz,ACS B,36,615,1980","x","HOXOCD02","C12H24O6;18-crown-6")
mo("HOBr",3,",O;H953;Br185","HBr110","I.Schwager,A.Arkell,JACS,89,6006,1967","ir","","HOBr;hypobromous acid")
mo("HOCl",3,",O;H953;Cl170","HCl113",".HOBr","ir","","HOCl;hypochlorous acid")
mo("HOF",3,",O;H953;F144","HF97","H.Kim,E.F.Pearson,E.H.Appelman,JCP,56,1,1972","mw","","HOF;hypofluorous acid")
mo("F-OCL2",-3,",O;Cl170","1109","G.E.Hererich,R.H.Jackson,D.J.Millen,JCS A,,336,1966","mw","","OCl2;oxygen dichloride")
mo("F-OF2",-3,",O;F1418","1032","J.A.Ibers,V.Schomaker,JCP,57,699,1953","ed","","OF2;oxygen difluoride")
mo("O3-W",3,",O;O1278","//MISSING DATA","Wells,p.499","mw","","O3;ozone")
mo("ALJAFDID",-6,"M,O;Al1982;H841;852","AlH1138;1218;H1143","U.Bentrup,A.Ahmadi,H.-C.Kang,W.Massa,'Z.Anorg.Allg.Chem. ',624,1465,1998","x","JAFDID","(H2O)Al1F52-,C2H10N22+;aqua-pentafluoro-aluminium(III) anion with 1,2-ethanediammonium cation")
mo("OSNOLWEQ",-8,"M,Os;N1699;O1699;1706;1713","NO1089;1091;1100;O1088;1099;1101",".OSNOLWAM","x","NOLWEQ","OsNO31-;nitrido-trioxo-osmium(VIII) anion")
mo("OSNOLWAM",-8,"M,Os;N1710;O1709;1715;1730","NO1086;1088;1092;O1094;1098;1109","Wa-Hung Leung,J.L.C.Chim,Wing-Tak Wong,'J.Chem.Soc.,Dalton Trans. ',,3277,1997","x","NOLWAM","Os[((C6H5)3P)2(CO)IrN]O3;(/m~2~-nitrido)-carbonyl-bis(triphenylphosphine)-trioxo-osmium(VIII)-iridium")
mo("mOspyr3Cl3",16,"MOSPYR~1,Os;N2086;209;2097;Cl2357;2359;2376","NCl889;893;896;897;N;899;NCl;90;Cl902;NCl904;908;Cl915;1782;NCl179;N1794","A.J.Blake,G.A.Heath,G.Smith,L.J.Yellowlees,D.W.A.Sharp,ACC,44,1836,1988","x","VUXMAC","(C5H5N)3OsCl3;mer-trichloro-tris(pyridine)osmium(III)")
mo("oscp2-1",-47,",Os;C2179;218;2187;2191;2202","384;386;389;392;399;643;648;65;652;658;110;1116;1126;1242;1247;1256;1267;1589;1594;1597;1601;1611","J.C.A.Boeyens,D.C.Levendis,M.I.Bruce,M.L.Williams,J.Crystallogr.Spectrosc.Res.,16,519,1986","x","SINWER","Os(C5H5)2;bis(CP)osmium(II) (osmocene)")
mo("P4",-6,"M,P;P221","60","TID","ed","","P4;tetraphosphorus")
mo("PH3",6,",P;H1436","938","L.S.Bartell,R.C.Hirst,JCP,1959,31,449","mw,ed","","PH3;phosphine")
mo("F-PHF2",-6,",P;H1412;F1582","HF963;F989","R.L.Kuczkowski,JACS,90,1705,1968","mw","","PHF2;difluorophosphine")
mo("PF3",6,",P;F1569;157","978","T.Moritani,K.Kuchitsu,Y.Morino,IOC,8,867,1969","ed","","PF3;phosphorus trifluoride")
mo("PCL3",6,"M,P;Cl2040","Cl1003","K.Hedberg,M.Iwasaki,JCP,1962,36,589","mw","","PCl3;phosphorus trichloride")
mo("PCL3A",-6,"M,P;Cl2030","Cl1005","TID","ed","",".PCL3;")
mo("PBr3-1",6,",P;Br222","101","K.Kuchitsu,T.Shibata,A.Yokozeki,C.Matsumura,IOC,10,2584,1971","mw,ed","","PBr3;phosphorus tribromide")
mo("PI3",-6,"M,P;I2430","I1020","TID","x","","PI3;phosphorus triiodide")
mo("PCL2F",-6,"M,P;Cl2020;F1550","Cl1020;ClF1020","TID","ed","","PCl2F;phosphorus dichloridefluoride")
mo("(CH3CH2)3P-S1",6,"(C93C6~1,P;C184;1841;1843","988;994;1002","J.Bruckmann,C.Kruger,ACC,51,1155,1995","x","YUHXUU","P(CH2CH3)3;triethylphosphine")
mo("(CH3CH2CH2)3P-S3",6,"(C6D9D~1,P;C1845;1847;1852","998;1023","J.Bruckmann,C.Kruger,ACC,52,1733,1996","x","WIRVEY","P(CH2CH2CH3)3;tripropylphosphine")
mo("(CH3CH2CH2)3P-S2",6,"(C6D99~1,P;C1845;1847;1852","998;1023",".(CH3CH2CH2)3P-S3","x","WIRVEY",".(CH3CH2CH2)3P-S3;")
mo("((CH3)2CH)3P-S1",6,"((CH3)~4,P;C1856;186;187","102;1029;1047",".(CH3CH2CH2)3P-S3","x","WIRVIC","P[CH(CH3)2]3;triisopropylphosphine")
mo("(CH3CH2CH2CH2)3P-S1",6,"(CC93A~1,P;C184;1844;1846","1005;1022;1027","J.Bruckmann,C.Kruger,ACC,51,1152,1995","x","YUHXAA","P(CH2CH2CH2CH3)3;tributylphosphine")
mo("P(tbutyl)3",6,"P(TBUT~1,P;C1908;191;1915","1071;1074;1078",".(CH3CH2CH2CH2)3P-S1","x","YUHXEE","P[C(CH3)3]3;tri-t-butylphosphine")
mo("(HC2)3P-S1",6,"(HC2)3~1,P;C175;1763","988;1018","J.Kroon,J.B.Hulscher,A.F.Peerdeman,J.Mol.Struct.,7,217,1971","x","TETYNP","P(CCH)3;trethynylphosphine")
mo("(C6H11)3P-S1",6,"(C6H11~1,P;C1866;1872","1031;1032;1051","J.A.Davies,S.Dutremez,A.A.Pinkerton,IOC,30,2380,1991","x","KIWTAL","P(C6H11)3;tricyclohexylphosphine")
mo("((CH3)2CH)2(C6H5)P-S1",6,"((CH3)~3,P;C1832;185;1862","101;1028;1043","J.Bruckmann,C.Kruger,F.Lutz,Z.Naturforsch.,Teil B,50,351,1995","x","YOHRIW","P(C3H7)2(C6H5);diisopropyl(phenyl)phosphine")
mo("(C6H5)3P-S1",6,"(C5B08~1,P;C1827;1831;1832","1017;1031;1034",".((CH3)2CH)2(C6H5)P-S1","x","PTRPHE03","P(C6H5)3;TPP")
mo("(C6H5)3P-S2",6,"(C5F08~1,P;C1826;1828","102;1032;1033","A.N.Chekhlov,Kristallografiya,38,79,1993","x","PTRPHE02",".(C6H5)3P-S1;")
mo("(C6H5)3P-S4",6,"(C5718~1,P;C1823;1846;1863","993;1014;1039","W.S.Sheldrick,R.Exner,Inorg.Chim.,Acta,195,1,1992","x","JUCGOD",".(C6H5)3P-S1;")
mo("(CH3C6H4)3P-S1",6,"(CH3C6~1,P;C183;1836;1837","1017;1027;1029","T.S.Cameron,B.Dahlen,JCS,Perkin Trans.2,,1737,1975","x","TOLYLP10","P(C7H7)3;tris(2-methylphenyl)phosphine")
mo("(p(CH3)C6H4)3P-S1",6,"(P(CH3~2,P;C1832","1016","A.N.Sobolev,V.K.Bel'skii,I.P.Romm,E.N.Gur'yanova Zh.Strukt.Khim.,24,123-3,1983","x","CANTEQ","P(C7H7)3~;tris(4-methylphenyl)phosphine")
mo("((CH3)3C6H2)3P-S1",6,"((218D~1,P;C1833;1837;1838","1079;1101;1107","J.F.Blount,D.Camp,R.D.Hart,P.C.Healy,B.W.Skelton,A.H.White,Aust.J.Chem.,47,1631,1994","x","TMESPH10","P(C9H14)3;tris(2,4,6-trimethylphenyl)phosphine")
mo("P(PhOMe)3",6,"P(PHOM~1,P;C1827;1834;1839","988;1014;1025",".((CH3)2CH)2(C6H5)P-S1","x","DOLROL01","P(C7H7O)3;tris(4-methoxyphenyl)phosphine")
mo("((CH3OC6H3)3P-S1",6,"((CH3O~1,P;C1837;184;1854","993;1067;1073","P.Livant,Y.J.Sun,T.R.Webb,ACC,47,1003,1991","x","JILXEH","P(C8H9O2)3;tris(2,6-dimethoxylphenyl)phosphine")
mo("P(PhF2)3",6,",P;C1837;1841;185","996;1043;1058","C.Corcoran,J.Fawcett,S.Friedrichs,J.H.Holloway,E.G.Hope,D.R.Russell,G.C.Saunders,A.M.Stuart,JCSD,,161,2000","x","COZFIG","P(C6H3F2)3;tris(2,6-difluorophenyl)phosphine")
mo("(C6F5)3P-S1",6,"(C6F5)~4,P;C1824;1833;1834","997;1044;106","A.Karipides,C.M.Cosio,ACC,45,1743,1989","x","DUTPUD10","P(C6F5)3;tris(perfluorophenyl)phosphine")
mo("P(Ph2)2CH2",6,"P(PH2)~1,P;C183;1843;1846","1012;1017;1032","H.Schmidbaur,G.Reber,A.Schier,F.E.Wagner,G.Muller,ICA,147,143,1988","x","GEHGAB","[P(C6H5)2]2CH2;bis(diphenylphosphinyl)methane (dppm)")
mo("cisbppe",6,"P(PH)2~1,P;C1814;1829","1014;102;1022","P.G.Jones,M.C.Gimeno,Z.Kristallogr.,209,688,1994","x","GEHFUU02","[P(C6H5)2CH]2;cis-bis(diphenylphosphinyl)ethene")
mo("transbppe",6,"P(PH)2~2,P;C1808;1826;1827","1027;1037",".P(Ph2)2CH2","x","GEHFOO","[P(C6H5)2CH]2~;trans-bis(diphenylphosphinyl)ethene")
mo("P4O6A",-6,"M,P;O1638","O998","B.Beagley,D.W.J.Cruickshank,T.G.Hewitt,K.H.Jost,Trans.Faraday Soc.,65,1219,1969","ed","","P4O6;tetraphosphorus hexoxide")
mo("H3phosphate1",8,"H3PHOS~1,P;O1516;1523;1529;1555","1075;1089;1095;1096;1101;1112","W.Schildkamp,J.Spilker,Z.Kristallogr.,168,159,1984","x","BUNREH02","P(O)(OH)3;phosphoric acid")
mo("H1phosphate1",8,"H1PHOS~1,P;O152;1524;1533;1584","1043;1085;1088;1107;1116;1127","S.N.Golubev,Yu.D.Kondrashev,Zh.Strukt.Khim.,25,150,1984","x","COMXAD","P(O)3(OH)(2-);hydrogen phosphate anion")
mo("H1phosphate2",8,"H1PHOS~2,P;O1502;1511;1542;1597","1066;108;1112;112;1121","J.K.Dattagupta,E.F.Meyer,B.P.Mukhopadhyay,ACB,38,2830,1982","x","BIXLUP",".H1phosphate1;")
mo("PO4-1",8,",P;O1537;1541;1544","1079;1086;1097;110;1101;1106","M.-T.Averbuch-Pouchot,A.Durif C.R.Acad.Sci.,Ser.2,317,1179,1993","x","ZIDNAB","PO43-;phosphate anion")
mo("(C6H5)4P-S1",8,"(C5C08~1,P;C1793;1795;1797","1073;1077;1098;1101;1106;1114","W.Czado,U.Muller,Z.Anorg.Allg.Chem.,622,790,1996","x","ZUVZOF","P(C6H5)41+;tetraphenylphosphonium cation")
mo("pph4-1",8,",P;C1791","1063;1111","R.Seidel,B.Schnautz,G.Henkel,Angew.Chem.,Int.Ed.Engl.,35,1710,1996","x","TOJGII",".(C6H5)4P-S1;")
mo("F-POF3",-8,",P;O1436;F1524","1013;OF1168","K.Kuchitsu,T.Moritani,Y.Morino,IOC,10,344,1971","ed","","POF3;phosphorus oxyfluoride")
mo("F-POCL3",-8,",P;O145;Cl199","1035;OCl1149","G.R.Badgley,R.L.Livingston,JACS,76,261,1954","ed","","POCl3;phosphorus oxychloride")
mo("F-POBR3",-8,",P;O141;Br206","108;OBr1109","J.H.Secrist,L.O.Brockway,JACS,66,1941,1944","ed","","POBr3;phosphorus oxybromide")
mo("PSF3",-8,"M,P;F1510;S1850","F995;FS1182","TID","ed","","PSF3;phosphorus thiofluoride")
mo("PSBR3",-8,"M,P;Br2130;S1890","Br1060;BrS1127;1128","TID","ed","","PSBr3;phosphorus thiobromide")
mo("P4O10A",-8,"M,P;O1429;1604","O1016;1165","B.Beagley,D.W.J.Cruickshank,T.G.Hewitt,A.Haaland,Trans.Faraday Soc.,63,836,1967","ed","","P4O10;tetraphosphorus decoxide")
mo("P_BEPWUO",-8,"M,P;N1620;1626;1636;O1474","N1050;1076;1102;NO1081;1100;1158","","x","BEPWUO",".CDBEPWUO;")
mo("(C6H5)5P-1",13,"(CE3A2~1,P;C183;1854;1865;1986;1988","863;866;911;915;919;928;1178;1196;1227;1769","P.J.Wheatley,JCS,,2206,1964","x","PHENYP","P(C6H5)5;pentaphenylphosphine")
mo("F-PF5",-13,",P;F153;1577","90;120;180","K.W.Hansen,L.S.Bartell,IOC,4,1775,1965","ed","","PF5;phosphorus pentafluoride")
mo("PCl5",13,",P;Cl202;214","90;120;180","T.Moritani,K.Kuchitsu,Y.Morino,IOC,10,344,1971","ed","","PCl5;phosphorus pentachloride")
mo("PCL2F3",-13,"M,P;Cl2050;F1590","Cl1800;ClF900;F1200","TID","ed","","PCl2F3;phosphorus dichloride trifluoride")
mo("(CCl3)2PCl3-1",13,"(CCL3)~1,P;C1957;1987;Cl2029","ClC90;Cl120;C180","M.Yu.Antipin,A.N.Chernega,Yu.T.Struchkov,E.S.Kozlov,I.E.Boldeskul,Zh.Strukt.Khim.,28,105-5,1987","x","FILMOC01","P(CCl3)2Cl3;trichloro-bis(trichloromethyl)-phosphine")
mo("(C6H5)3PF2-1",13,"(CCB64~1,P;F1666;C1816;1827","FC893;903;904;C1198;1201;F1786","F.Weller,D.Nuszhar,K.Dehnicke,F.Gingl,J.Strahle,Z.Anorg.Allg.Chem.,602,7,1991","x","VOJTET","P(C6H5)3F2;difluoroTPP")
mo("(C6H5)3PF2-2",13,"(CDB68~1,P;F1663;C1823;1825","FC891;902;903;906;C1196;1202;F1783","M.J.Begley,D.B.Sowerby,ACC,49,1044,1993","x","WAMTUZ",".(C6H5)3PF2-1;")
mo("(C6H5)3PF2-3",13,"(CDB6C~1,P;F1663;C1823;1825","FC891;902;903;906;C1196;1202;F1783","K.M.Doxsee,E.M.Hanawalt,T.J.R.Weakley,ACC,48,1288,1992","x","VOJTET01",".(C6H5)3PF2-1;")
mo("PF6-1",16,",P;F1522;1536;1554;1555;157","831;857;868;869;886;899;903;908;913;944;954;968;1766;1773;1798","W.A.Kiel,G.-Y .Lin,A.G.Constable,F.B.McCormick,C.E.Strouse,O.Eisenstein,J.A.Gladysz,JACS,104,4865,1982","x","BOBYAS","PF61-;hexafluorophosphinyl anion")
mo("PF6-2",16,",P;F1443;1482;1542;1564;1606;1616","833;861;872;887;889;901;904;906;907;928;95;956;1735;1737;176","A.Tiripicchio,A.M.M.Lanfredi,M.Ghedini,F.Neve,J.Chem .Soc.,Chem.Comm.,,97,1983","x","BOKROI",".PF6-1;")
mo("PF6-4",16,",P;F1436;1491;1498;1571;1584;1614","856;861;873;885;891;892;896;903;919;928;938;956;1746;1752;177","D.Astruc,M.Lacoste,L.Toupet,JCS,Chem.Comm.,,558,1990","x","SENHAU",".PF6-1;")
mo("PBCL4",-8,"M,Pb;Cl2430","Cl1095","TID","ed","","PbCl4;lead tetrachloride")
mo("PBAGOFEH",-8,"M,Pb;C2179;2181;2197;2234","C1034;1043;1102;1103;1118;1159",".GEAGOFIL","x","AGOFEH","Pb(C2F3)(C6H5)3;(trifluorovinyl)-triphenyl-lead")
mo("PBBENQOA",-8,"M,Pb;Br2603;C2211","Br993;BrC1005;1155;C1234","T.M.Klapotke,J.Knizek,H.Noth,B.Krumm,C.M.Rienacker,'Polyhedron ',18,839,1999","x","BENQOA","Pb(C9H11)2Br2;dibromo-bis(2,4,6-trimethylphenyl)-lead")
mo("PBCORBUG",-8,"M,Pb;C2185;2201;S2491","C1109;1112;1144;CS1046;1070;1083","G.D.Andreetti,G.Bocelli,G.Calestani,P.Sgarabotto,'J.Organomet.Chem. ',273,31,1984","x","CORBUG","Pb(C6H5)3(SCH3);methylthio-triphenyl-lead")
mo("PBEDONEQ",-16,"M,Pb;C2189;2208;Cl2635;2658;N2506;2516","C1769;CCl890;904;908;925;CN874;881;895;909;Cl1127;ClN883;933;1540;1590;N657","J.S.Casas,E.E.Castellano,J.Ellena,M.S.Garcia-Tasende,A.Sanchez,J.Sordo,M.J.Vidarte,'Main Group Metal Chemistry ',24,297,2001","x","EDONEQ","(C10H4N2)Pb(C6H5)2Cl2;(2,2'-bipyridine)-dichloro-diphenyl-lead(IV)")
mo("PBFUFR~1",-16,"M,Pb;C2173;2175;Cl2689;2701;N2461;2498","C1791;CCl891;900;902;908;CN870;886;921;923;Cl1787;ClN886;889;904;921;N1790","A.V.Yatsenko,H.Schenk,L.A.Aslanov,'J.Organomet.Chem. ',474,107,1994","x","FUFRIH01","(C3H4N2)Pb(C6H5)2Cl2;trans-dichloro-diphenyl-bis(imidazole)-lead")
mo("PBADOMEL",-20,"M,Pb;N2480;2538;2605;2672;O2713;2720","N628;662;762;815;824;1373;NO692;738;748;753;1179;1198;1311;1440;O469","A.R.Mahjoub,A.Morsali,'Z.Kristallogr.-New Cryst.Struct. ',216,601,2001","x","ADOMEL","(C12H8N2)2Pb(NO2)21+,NCS1-;meso-(nitrato-O,O)-bis(1,10-phenantroline)-lead(II) thiocyanate")
mo("PDABUWEZ",-9,"M,Pd;Cl2302;P2322","Cl1800;ClP881;919;P1800","S.E.Lawrence,M.Kelly,O.M.Ni Dhubhghaill,'Acta Crystallogr.,Sect.E:Struct.Rep.Online ',57,m272,2001","x","ABUWEZ","[(C3H4N)3P]2PdCl2;dichloro-trans-bis(tris(2-cyanoethyl)phosphine) palladium(II)")
mo("PDAGIBUN",-9,"M,Pd;Cl2280;2288;N2013;2041","Cl895;ClN940;988;1717;1748;N778","P.K.Santra,P.Byabartta,S.Chattopadhyay,L.R.Falvello,C.Sinha,'Eur.J.Inorg.Chem. ',,1124,2002","x","AGIBUN","(C10H8N4)Cl2Pd1,C6H6;cis-dichloro-(2-(phenylazo)pyrimidine)-palladium(II) with benzene")
mo("PDAMBUPD",-9,"M,Pd;Cl2315;2318;N2029;2031","Cl953;ClN906;1740;1741;N835","T.Ito,F.Marumo,Y.Saito,ACS B,27,1695,1971","x","AMBUPD","(C4H12N2)PdCl2;cis-dichloro(meso-2,3-diaminobutane) palladium(II)")
mo("PDBADBIS",-9,"M,Pd;P2334;S2326","P1800;PS875;925;S1800","Yew Chin Neo,J.J.Vittal,T.S.A.Hor,'J.Organomet.Chem. ',637,757,2001","x","BADBIS","[(C6H5)3P]2Pd(SCOCH3)2;trans-bis(thioacetato-S)-bis(TPP)-palladium(II)")
mo("PRNPYP~1",-17,"M,Pr;N2735;2740;2742;2744;2745;2746;2748;2760;2768","N480;482;485;487;488;636;646;647;649;652;658;667;670;676;677;681;685;687;689;691;692;695;698;704;713;1001;1022;1044;1111;1117;1121;1122;1123;1124;1129;1130;1132;1133;1134;1135;1136;1137;1140;1142;1238;1248;1255;1284;1291;1292;1297;1303;1608;1610;1614;1762;1763;1769","A.Clearfield,R.Gopal,R.W.Olsen,'Inorg.Chem. ',16,911,1977","x","NPYPRP10","(C8H6N2)6Pr3+;hexakis(1,8-naphthyridine)-praseodymium(III) cation")
mo("PROBUHUO",-22,"M,Pr;Cl2677;O2467;2478;2489","Cl1762;ClO842;866;919;928;945;O718;723;732;1434;1435;1438","G.R.Willey,D.R.Aris,W.Errington,'Inorg.Chim.Acta ',318,97,2001","x","OBUHUO","(C4H8O)PrCl21+;trans-dichloropentakis(tetrahydrofruan)-praseodymium(III) cation")
mo("PRDALN~1",-26,"M,Pr;Cl2812;O2480;2491;2501","Cl931;ClO721;741;847;1059;1415;1455;O706;725;732;740;745;1231;1367;1369;1463","G.Crisci,G.Meyer,'Z.Kristallogr. ',210,705,1995","x","DALNAF01","(H2O)6PrCl21+;hexaaqua-dichloro-praseodymium(III) cation")
mo("PRFACA~1",-26,"M,Pr;O2422;2425;2441;2450;2474;2486;2503;2548","O704;706;707;716;723;728;738;739;749;753;755;769;791;807;820;848;1011;1191;1214;1245;1333;1390;1396;1411;1431;1440;1441;1454","P.C.Junk,C.J.Kepert,Lu Wei-Min,B.W.Skelton,A.H.White,'Aust.J.Chem. ',52,459,1999","x","FACAPR01","[(H2O)3Pr(OCOCF3)3]2;tetrakis(/m~2~-trifluoroacetato)-bis(trifluoroacetato)-hexaaqua-dipraseodymium(III)")
mo("PRKOBRUO",-26,"M,Pr;N2400;2457;2511;2538","N667;672;683;701;825;866;867;869;881;1043;1050;1399;1428;1438;1471","A.Darovsky,L.Y.Wu,P.Lee,H.S.Sheu,ACSC,47,1836,1991","x","KOBRUO","Pr(C32H16N8)2;bis(phthalocyaninato)-praseodymium")
mo("PRWAKTIL",-26,"M,Pr;Cl2824;2829;2858;2910;2915;O2442;2450;2541","Cl714;768;783;785;821;883;1256;1329;1429;1474;ClO673;697;715;729;731;748;756;769;906;1028;1268;1386;1404;1433;1456;O690;986;1410","D.Mackenstedt,W.Urland,'Z.Anorg.Allg.Chem. ',619,893,1993","x","WAKTIL","[(H2O)3PrCl4]22-;bis(triaqua-(/m~2~-chloro)-trichloro-praseodymium) anion")
mo("PRGIWWEO",-31,"M,Pr;N2580;2583;2584;2590;2591;2594;2595;2599;2603","N679;682;683;684;690;691;692;696;697;700;703;728;730;770;778;795;801;824;909;922;1176;1181;1242;1329;1341;1346;1347;1365;1366;1369;1378;1382;1398;1411","G.B.Deacon,B.Gortler,P.C.Junk,E.Lork,R.Mews,J.Petersen,B.Zemva,'J.Chem.Soc.,Dalton Trans. ',,3887,1998","x","GIWWEO","(CH3CN)9Pr3+;nonakis(acetonitrile)-praseodymium(III) cation")
mo("PRKITFAU",-31,"M,Pr;Cl2823;O2455;2478;2509;2543;2565;2576;2611","ClO740;754;761;831;836;1332;1396;1429;O623;624;636;659;677;693;696;704;735;748;761;816;826;849;941;1127;1208;1253;1256;1258;1259;1351;1373;1381;1423;1436;1521","R.D.Rogers,R.D.Etzenhouser,J.S.Murdoch,E.Reyes,'Inorg.Chem. ',30,1445,1991","x","KITFAU","(C8H18O5)(H2O)3Pr2+,Cl1-,H2O;triaqua-chloro-(tetraethylene glycol)-praseodymium cation with chloride anion and water")
mo("PRAPRE~1",-32,"M,Pr;O2470;2471;2591;2592","O659;660;726;758;896;1200;1350;1384;1385","J.Albertsson,I.Elding,ACS B,33,1460,1977","x","APRETS01","(H2O)9Pr3+;nonaaqua-praseodymium(III) cation")
mo("PRSOCTAF",-49,"M,Pr;C2714;2719;2729;2731;2744;2748;2752;2754;2792;2799;2803;2815;2818;O2581;2634","C292;293;294;295;297;298;299;300;301;483;484;562;564;565;567;568;569;572;573;745;747;761;762;764;772;773;774;776;829;836;841;846;854;915;919;935;937;984;1012;1039;1046;1059;1148;1175;1188;1200;1205;1220;1222;1224;1228;1265;1307;1334;1355;1390;1419;1436;1470;1471;1494;1502;1512;1526;1548;1590;1611;1671;1756;CO703;736;747;771;778;794;795;820;905;912;950;989;1008;1045;1071;1086;1175;1180;1186;1216;1292;1340;1470;1472;1555;1592;O747","Wen Ke,Jin Zhongsheng,Chen Wenqi,'Chem.Commun. ',,680,1991","x","SOCTAF","(C4H8O)2Pr(C5H5)(C8H8);(CP)-(/h^8^-cyclooctatetraenyl)-bis(tetrahydrofuran)-praseodymium(III)")
mo("PRLEYTAK",-52,"M,Pr;C2785;2789;2792;2801;2814;2825;2827;2830;2835;2840;2842;2844;Cl2775","C278;282;283;284;285;287;288;289;290;292;464;465;466;467;469;470;471;472;473;474;705;730;731;733;738;750;753;851;871;892;903;922;923;937;954;963;974;990;995;996;1004;1011;1018;1021;1026;1029;1031;1095;1119;1125;1140;1146;1150;1154;1163;1164;1165;1171;1175;1179;1182;1183;1184;1190;1191;1193;1197;1202;1207;1223;1267;1284;1306;1360;1387;1390;1391;1405;1406;1414;1421;1428;1429;1433;1441;1451;1462;1467;1635;1647;1659;CCl749;761;802;854;866;947;948;978;988;1137;1150;1214;1230;1255","Changtao Qian,Bing Wang,Yin Xin,Yonghua Lin,'J.Chem.Soc.,Dalton Trans. ',,2109,1994","x","LEYTAK","Pr(C5H5)3Cl1-;chloro-tris(CP)-praseodymium anion")
mo("Pten2",9,",Pt;N2049;2105","855;945;180","H.Endres,H.J.Keller,R.Martin,U.Traeger,ACB,35,2880,1979","x","ENPTCL","(C2H8N2)2Pt2+;bis(ethylenediamine)platinum(II) cation")
mo("tPten2Br2",16,"TPTEN2~1,Pt;N2038;2074;Br2459","N829;NBr893;898;902;907;N971;180;Br","H.J.Keller,U.Traeger,ACB,35,1887,1979","x","ENPCBO","(C2H8N2)2PtBr22+;trans-dibromo-bis(ethylenediamine)platinum(IV) cation")
mo("tPten2Cl2",16,"TPTEN2~2,Pt;N2074;2087;Cl2312","N827;NCl883;894;906;917;N973;180;Cl","K.P.Larsen,R.G.Hazell,H.Toftlund,P.R.Andersen,P.Bisgard,K.Edlund,M.Eliasen,C.Herskind,T.Laursen,P.M.Pedersen,Acta Chem.Scand.Ser.A,29,499,1975","x","TCENPT","(C2H8N2)2PtCl2;trans-dichloro-bis(ethylenediamine)platinum(II)")
mo("cPten2Cl2",16,"CPTEN2~1,Pt;N2045;2047;2065;2069;Cl2302;2309","N834;844;NCl868;897;903;N915;NCl;Cl924;NCl929;N938;939;NCl1747;1759;N1767","C.F.Liu,J.A.Ibers,IOC,9,773,1970","x","CEAMPT","(C2H8N2)2PtCl22+;cis-dichloro-bis(ethylenediamine)platinum(IV) cation")
mo("tPten2Cl2b",16,"TPTEN2~3,Pt;N2056;Cl2293","N826;NCl893;907;N974;180;Cl","S.Sato,M.Haruki,P.Wachter,S.Kurita,ACC,46,1812,1990","x","JESGAP","(C2H8N2)2PtCl22+~;trans-dichloro-bis(ethylenediamine)platinum(IV) cation")
mo("tPten2I2",16,",Pt;N2058;2061;I268","N825;NI893;895;905;907;N975;180;I","B.Freckmann,K.-F.Tebbe,ACB,37,1520,1981","x","ENIOPT","(C2H8N2)2PtI22+;trans-diiodo-bis(ethylenediamine)platinum(IV) cation")
mo("RBCL",-1,"M,Rb;Cl289","","TID","ed","","RbCl;rubidium chloride")
mo("RBBR",-1,"M,Rb;Br306","","TID","ed","","RbBr;rubidium bromide")
mo("RBI",-1,"M,Rb;I326","","TID","ed","","RbI;rubidium iodide")
mo("RBJAPVOL",-25,"M,Rb;O2880;2900;2925;3001;3007;3024","O565;570;572;574;576;1062;1072;1134;1142;1145;1428;1433;1438","R.H.Huang,D.L.Ward,J.L.Dye,'J.Am.Chem.Soc. ',111,5707,1989","x","JAPVOL","(C12H24O6)Rb1+,Rb1-;(18-crown-6)-rubidium cation with rubidide anion")
mo("RBPEDVOJ",-25,"M,Rb;O2930;2961;3019;3048","O518;562;571;1020;1038;1101;1133;1249;1386",".AGPEDVOJ","x","PEDVOJ","(C20H24O6)Rb1+;(dibenzo-18-crown-6)-rubidium cation")
mo("RBEBEWOX",-29,"M,Rb;N3051;3077;O2830;2868;2881;2893;2907;2918","N1797;NO593;597;603;607;610;1190;1191;1194;1195;1201;1209;O590;608;614;859;867;1027;1028;1030;1067;1250;1252;1254;1446;1453","Qingshan Xie,R.H.Huang,A.S.Ichimura,R.C.Phillips,W.P.Pratt Junior,J.L.Dye,'J.Am.Chem.Soc. ',122,6971,2000","x","EBEWOX","(C18H36N2O6)Rb1;(cryptand[2.2.2])-rubidium electride")
mo("RBPUWLOI",-33,"M,Rb;O2904;2947;2953;2965;2974;2975;2980;3007;3014","O568;583;586;587;588;590;591;596;712;714;715;723;725;732;790;791;829;897;920;924;1027;1049;1052;1054;1062;1112;1125;1179;1194;1195;1198;1208;1211;1231;1232;1266;1268;1593;1750;1757;1763;1772","D.M.Jenkins,Weijie Teng,U.Englich,D.Stone,K.Ruhlandt-Senge,'Organometallics ',20,4600,2001","x","PUWLOI","(C10H20O5)2Rb1+;bis(15-crown-5)-rubidium cation")
mo("RESEHFIU",-8,"M,Re;O1705;1710;1712","O1089;1090;1091;1093;1114","F.Weller,H.Borgholte,H.Stenger,S.Vogler,K.Dehnicke,'Z.Naturforsch.,B:Chem.Sci. ',44,1524,1989","x","SEHFIU","ReO41-;perrhenate anion")
mo("reco6-1",16,",Re;C1882;198;2018;2021;2064","851;877;884;887;917;918;924;945;1738;1742;1768","D.M .Bruce,J.H.Holloway,D.R.Russell,JCSD,1627,1978","x","FUZJOZ","(CO)6Re1+;hexacarbonylrhenium(I) cation")
mo("tReen2Cl2",16,"TREEN2~1,Re;N2144;216;Cl2358","N794;NCl888;897;903;912;N1006;180;Cl","S.D.Orth,J.Barrera,M.Sabat,W.D.Harman,IOC,32,594,1993","x","SUJSIZ","(C2H8N2)2ReCl2;trans-dichloro-bis(ethylenediamine)rhenium(II)")
mo("mRepyr3Br3",16,"MREPYR~1,Re;N211;2121;2123;Br2506;2512;2534","NBr885;N892;NBr893;895;897;898;Br90;N901;NBr;905;91;Br922;1778;NBr1784;N1792","O.Arp,W.Preetz,Z.Anorg.Allg.Chem.,622,219,1996","x","ZOKLIU","(C5H5N)3ReBr3;mer-tribromo-tris(pyridine)rhenium(III)")
mo("mRepyr3Cl3",16,"MREPYR~2,Re;N2116;2118;2119;Cl2366;2368;2397","NCl883;891;N894;895;NCl896;899;901;904;Cl906;NCl911;Cl92;1774;NCl1787;N1789",".mRepyr3Br3","x","ZOKLEQ","(C5H5N)3ReCl3;mer-trichloro-tris(pyridine)rhenium(III)")
mo("REFIRWOS",-16,"M,Re;Br2607;C1878;1955;1974;2013;2135","BrC876;881;887;890;1783;C861;907;910;913;917;919;927;1757;1760","G.L.Miessler,Sangsoo Kim,R.A.Jacobson,R.J.Angelici,'Inorg.Chem. ',26,1690,1987","x","FIRWOS","(CO)4Re(C3H4O2)Br;bromo-tetracarbonyl-(1,3-dioxolan-2-ylidene)-rhenium")
mo("REFIRWUY",-16,"M,Re;Br2624;C1891;1960;1970;2121;P2474","BrC870;872;922;1748;BrP895;C891;895;914;915;918;1770;CP867;903;939;1761","G.L.Miessler,Sangsoo Kim,R.A.Jacobson,R.J.Angelici,'Inorg.Chem. ',26,1690,1987","x","FIRWUY","[(C6H5)2PCH2]2[(CO)3Re(C3H4O2)Br]2;fac-(dibromo-hexacarbonyl-(/m~2~-1,2-bis(diphenylphosphino)ethane-P,P')-bis(1,3-dioxolan-2-ylidene)-di-rhenium)")
mo("IC1166",-15,"M,Re;Cl2319;2324;2333;2341;Re2237","Cl865;867;873;879;1540;1541;ClRe1016;1028;1031;1044","Cotton, F.A.;Hall, W.T.,'Inorganic Chemistry',16,1867,1977","x","ICSD-1166","[ReCl4]22-;octachloro-dirhenate(III) anion")
mo("IC26060",-15,"M,Re;Br2468;2474;2483;2484;Re2227","Br855;856;870;873;1499;1516;BrRe1039;1043;1045;1058","Cotton, F.A.;de Boer, B.G.;Jeremic, M.,'Inorganic Chemistry',9,2143,1970","x","ICSD-26060","[ReBr4]22-;octabromo-dirhenate(III) anion")
mo("fRhpyr3Cl3",16,"FRHPYR~1,Rh;N2049;2061;2062;Cl233;2337;2346","NCl884;N889;NCl892;895;Cl897;NCl899;901;902;905;Cl909;N911;NCl916;1788;Cl1794;N","K.R.Acharya,S.S.Tavale,T.N.G.Row,ACC,40,1327,1984","x","CILYOL","(C5H5N)3ReCl3~;fac-trichloro-tris(pyridine)rhodium(III)")
mo("cRhen2Cl2",16,"CRHEN2~1,Rh;N2049;2052;2053;2057;Cl2357;2367","N831;835;NCl879;898;901;Cl906;N919;NCl926;N934;937;NCl938;N1755;NCl1761;1765","I.A.Baidina,N.V.Podberezskaya,A.V.Belyaev,V.V.Bakakin,Zh.Strukt.Khim.,20,1096,1979","x","CENRHA","(C2H8N2)2RhCl21+;cis-dichloro-bis(ethylenediamine)rhodium(III) cation")
mo("tRhen2Cl2",16,"TRHEN2~1,Rh;N2066;2068;Cl2335","N837;NCl893;898;902;907;N963;180;Cl","I.A.Baidina,N.V.Podberezskaya,A.V.Belyaev,V.V.Bakakin,Zh.Strukt.Khim.,20,1096,1980","x","CENRHB","(C2H8N2)2RhCl21+~;trans-dichloro-bis(ethylenediamine)rhodium(III) cation")
mo("RHFOQBAO",-47,"M,Rh;C2168;2170;2182;2186;2193","C378;379;380;381;382;635;636;637;1163;1164;1165;1418;1419;1420;1421;1422;1800","D.Buchholz,L.Zsolnai,G.Huttner,D.Astruc,'J.Organomet.Chem. ',593,494,2000","x","FOQBAO","Rh(C10H15)21+;decamethylrhodocenium cation")
mo("rucp2-1",-47,",Ru;C2178;2179;2188;2193;2194;2197","382;383;386;388;637;64;645;646;65;1112;1118;1136;1254;1256;127;1272;1593;1595;1602;1611","P.Seiler,J.D.Dunitz,ACB,36,2946,1980","x","CYCPRU06","Ru(C5H5)2;bis(CP)ruthenium(II) (ruthenocene)")
mo("H2S",3,",S;H135;1351","92","Wells,p.705","mw","","H2S;hydrogen sulfide")
mo("S(CH3)2",3,",S;C180","99","L.Pierce,M.Hayashi,JCP,1961,35,479","mw","","S(CH3)2;dimethylsulfide")
mo("SF2",3,",S;F159","98","D.R.Johnson,F.X.Powell,Science,164,950,1969","mw","","SF2;sulfur difluoride")
mo("SCl2",3,",S;Cl1999;200","100","H.Stammreich,R.Forneris,K.Sone,JCP,23,972,1955","rm","","SCl2;sulfur dichloride")
mo("so2-w",3,",S;O143","1195","Wells,p.714","x","","SO2;sulfur dioxide")
mo("S_BADBIS",-3,"M,S;C1748;Pd2326","CPd1040",".PDBADBIS","x","BADBIS","[(C6H5)3P]2Pd(SCOCH3)2;trans-bis(thioacetato-S)-bis(TPP)-palladium(II)")
mo("S_BIFXIX",-3,"M,S;Ge2246;2254","Ge855","M.Wojnowska,M.Noltemeyer,H.-J.Fullgrabe,A.Meller,'J.Organomet.Chem. ',228,229,1982","x","BIFXIX","C16H36Ge2S2;bis(/m~2~-thio)-tetrakis(t-butyl)-digermanium")
mo("SO3",4,",S;O143","120","K.J.Palmer,JACS ,60,2360,1938","ed","","SO3;sulfur trioxide")
mo("SOF2",6,",S;O1414;F158","928;OF1068","I.Hargittai,F.C.Mijlhoff,J.Molec.Struct.,16,69,1973","ed","","SOF2;sulfur oxydifluoride (thionyl fluoride)")
mo("sulfuric1",8,"SULFUR~1,S;O1422;1435;1523;1535","1047;106;1062;1083;112;1187","J.C.Calabrese,K.H.Gardner,ACC,41,389,1985","x","CUGMOG","SO2(OH)2;sulfuric acid")
mo("Hsulfate1",8,"HSULFA~1,S;O1432;144;1457;1554","1043;1066;1069;1114;1133;1136","L.Coghi,G.Pelizzi,ACB,31,131,1975","x","EBGAGS","SO3(OH)1-;hydrogen sulfate anion (bisulfate)")
mo("Hsulfate4",8,"HSULFA~2,S;O1426;1427;1479;1501","1071;1083;1088;1094;1114;1117","O.I.Levina,E.N.Kurkutova,K.A.Potekhin,Yu.T.Struchkov,V.A.Palyulin,N.S.Zefirov,Cryst.Struct.Commun.,11,1915,1982","x","BUHBIP",".Hsulfate1;")
mo("Hsulfate5",8,"HSULFA~3,S;O143;1436;1499;1516","1068;1085;1086;1095;1145","I.A.Litvinov,Yu.T.Struchkov,N.N.Bystrykh,B.I.Buzikin,Khim.Get.Soedin.,SSSR,,1100,1982","x","BOYHOM",".Hsulfate1;")
mo("sulfate1",8,",S;O1449;1464;1467;1484","108;1084;1087;1109;112",".Hsulfate1","x","EBGAGS","SO42-;sulfate anion")
mo("sulfate2",8,",S;O146;149","1076;1097;110;1121","H.Tamura,K.Ogawa,Cryst.Struct.Commun.,2,103,1973","x","CMSCUS",".sulfate1;")
mo("sulfate3",8,",S;O1466;1479;1482;1485","1083;1087;1091;110;1116","A.M.M.Lanfredi,M.A .Pellinghelli,A.Tiripicchio,JCS,Perkin Trans.2,,308,1974","x","CBHYZS",".sulfate1;")
mo("thiosulfate1",8,"THIOSU~1,S;O146;1464;S2008","SO1077;1091;O1102;1103;1104","W.Leyten,S.J.Rettig,J.Trotter,ACC,44,1749,1988","x","GINDUC","S2O32-;thiosulfate anion")
mo("thiosulfate2",8,"THIOSU~2,S;O1425;1476;1511;S2044","O1027;1049;SO1071;108;1125;O1217","N.V.Podberezskaya,S.V.Borisov,V.V.Bakakin,Zh.Strukt.Khim.,12,840,1971","x","ENCUTS",".thiosulfate1;")
mo("thiosulfate3",8,"THIOSU~3,S;O1466;1481;1482;S200","SO107;O1084;SO1097;1102;O1103;1112","M.Jansen,D.M.Wiench,CSC,7,423,1978","x","DMSOST",".thiosulfate1;")
mo("F-SO2F2",-8,",S;O1405;F1533","97;OF1084;O123","K. Hagen, V. R. Cross, K. Hedbere J. Mol. Struct. 44, 187 (1978)","ed","","SO2F2;sulfuryl fluoride")
mo("S_QEBSOF",-8,"M,S;C1825;O1422;1451;1467","CO1038;1039;1041;O1123;1133;1176","S.Ogo,N.Makihara,Y.Watanabe,'Organometallics ',18,5470,1999","x","QEBSOF","CF3SO31-;trifluoromethanesulfonate")
mo("SF4",12,",S;F1542;1643","89;909;92;1031;179","K.Kimura,S.H.Bauer,JCP,39,3172,1963","x","","SF4;sulfur tetrafluoride")

mo("SOF4A",-13,"M,S;F1550;1583;O1410","F89.5;1100;1784;FO908;1250","G.Gundersen,K.Hedberg,JCP,51,2500,1969","ed","","SOF4;sulfur oxytetrafluoride")
mo("SF6",16,",S;F156","894;90;906;1794;180","Trans.Faraday Soc.1963,59,1241","x","","SF6;sulfur hexafluoride")
mo("SbH3-W",6,",Sb;H1707","913","A.W.Jache,G.S.Blevins,W.Gordy,Physical Review,97,680,1955","mw","","SbH3;antimony(III) hydride (stibnine)")
mo("F3SB-S1",6,",Sb;F1927;1929;1967","835;87;893","M.Bourgault,R.Fourcade,B.Ducourant,G.Mascherpa,Rev.Chim.Miner.,16,151,1979","x","UREAAF","SbF3;antimony(III) fluoride")
mo("F3SB-S2",6,",Sb;F1925;1926;1928","864;866","I.Becker,M.Windhaus,R.Mattes,Z.Naturforsch.,Teil B,49,870,1994","x","POMHUU",".F3SB-S1;")
mo("F3SB-S3",6,",Sb;F1922","867;871;872",".F3SB-S2","x","POMHOO",".F3SB-S1;")
mo("SbCl3-1",6,",Sb;Cl2299;235;2355","925;949;953","M.Hall,D.B.Sowerby,JCSD,,1095,1983","x","BUMGEV","SbCl3;antimony(III) chloride")
mo("SbCl3-2",6,",Sb;Cl236;238;2384","92;924;93","A.J.Arduengo III,C.A.Stewart,F.Davidson,D.A.Dixon,J.Y.Becker,S.A.Culley,M.B.Mizen,JACS,109,627,1987","x","FEDPIN",".SbCl3-1;")
mo("SbCl3-3",6,",Sb;Cl2361;2379;2382","93;945","J.Werner,W.Schwarz,A.Schmidt,Z.Naturforsch.,Teil B,36,556,1981","x","MESBCA",".SbCl3-1;")
mo("BR3SB-S2",6,",Sb;Br2501;2506;2521","934;956;965","A.Lipka,D.Mootz,Z.Naturforsch.,Teil B,37,695,1982","x","PYRSBB10","SbBr3;antimony(III) bromide")
mo("BR3SB-S3",6,",Sb;Br249;2503;2505","939;94;973","G.Bombieri,G.Peyronel,I.M.Vezzosi,Inorg.Chim.,Acta,6,349,1972","x","PYRABR",".BR3SB-S2;")
mo("SbBr3-W",6,",Sb;Br249","98","S.Konaka,M.Kimura,BCSJ,1973,46 413","ed","",".BR3SB-S2;")
mo("I3SB-S1",6,",Sb;I2745;2767;2774","947;968;973","T.Bjorvatten,Acta Chem.Scand.,20,1863,1966","x","SBIDTH","SbI3;antimony(III) iodide")
mo("I2ClSB-S1",6,"I2CLSB~1,Sb;C2305;I2762;2799","IC912;934;I991","H.J.Breunig,K.H.Ebert,S.Gulec,M.Drager,D.B.Sowerby,M.J.Begley,U.Behrens,JOMC,427,39,1992","x","SUCZAR","SbI2Cl;chlorodiiodoantimony(III)")
mo("((CH3)3CCH2)3SB-S1",6,"((D477~1,Sb;C2183","935","D.G.Hendershot,J.C.Pazik,C.George,A.D.Berry,Organometallics,11,2163,1992","x","JOYKAJ","Sb(C5H11)3;tris(2,2-dimethylethyl)antimony(III)")
mo("(C6H5)3SB-S1",6,"(CCBF7~1,Sb;C2143;2151;2153","957;96;98","E.A.Adams,J.W.Kolis,W.T.Pennington,ACC.,46,917,1990","x","ZZZEHA01","Sb(C6H5)3;triphenylantimony(III)")
mo("(C6H5)3SB-S2",6,"(CCBF3~1,Sb;C2144;215;2153","953;961;969",".C60-S1","x","YIKVET",".(C6H5)3SB-S1;")
mo("(pCH3C6H4)3SB-S1",6,"(PCH3C~1,Sb;C2141","973","A.N.Sobolev,I.P.Romm,V.K.Belskii,E.N.Gur'yanova,JOMC,179,153,1979","x","TPTOSB","Sb(C7H7)3;tris(4-methylphenyl)antimony(III)")
mo("((CH3)2C6H3)3SB-S1",6,"((F177~1,Sb;C2187;2192","987;106;1095","A.N.Sobolev,I.P.Romm,V.K.Belsky,O.P.Syutkina,E.N.Guryanova,JOMC,209,49,1981","x","MEPHSD","Sb(C8H9)3;tris(2,6-dimethylphenyl)antimony(III)")
mo("((CH3)3C6H2)3SB-S1",6,"((9177~1,Sb;C2181;2182","1036;1055;1059","M.Ates,H.J.Breunig,K.H.Ebert,R.Kaller,M.Drager,U.Behrens,Z.Naturforsch.,Teil B,47,503,1992","x","YABJUG","Sb(C9H11)3;tris(2,4,6-trimethylphenyl)antimony(III)")
mo("(C6H5)2BRSB-S1",6,"(C5DE9~1,Sb;C2143;215;Br2552","CBr935;953;C985","P.L.Millington,D.B.Sowerby,JOMC,480,227,1994","x","POSXEA","Sb(C6H5)2Br;bromo(diphenyl)antimony(III)")
mo("(C6H5)2ISB-S1",6,"(CDD7A~1,Sb;C2136;2139;I2771","IC936;958;C988","G.Alonzo,H.J.Breunig,M.Denker,K.H.Ebert,W.Offermann,JOMC,522,237,1996","x","TUMQOH","Sb(C6H5)2I;iodo(diphenyl)antimony(III)")
mo("(CH3)CL2SB-S1",6,"(CH3)C~1,Sb;C2129;Cl2389;2425","909;ClC929",".(CH3)BR2SB-S1","x","WEZTIE","Sb(CH3)Cl2;dichloro(methyl)antimony(III)")
mo("(CH3)BR2SB-S1",6,"(CH3)B~1,Sb;C2301;Br2564;2583","CBr912;926;Br976","H.J.Breunig,M.Denker,K.H.Ebert,JOMC,470,87,1994","x","WEZTOK","Sb(CH3)Br2;dibromo(methyl)antimony(III)")
mo("((CH3)3C)CL2SB",6,"((2AE4~1,Sb;C219;Cl2373;2388","ClC95;952;Cl954","Y.Mourad,A.Atmani,Y.Mugnier,H.J.Breunig,K.H.Ebert,JOMC,476,47,1994","x","POLTOZ","Sb(C4H9)Cl2;(tert-butyl)dichloroantimony(III)")
mo("(C6H5)CL2SB-S1",6,"(CD5DC~1,Sb;C2151;Cl2376;2411","ClC926;Cl943;ClC953",".(C6H5)BR2SB-S1","x","KUTXOM","Sb(C6H5)Cl2;dichloro(phenyl)antimony(III)")
mo("(C6H5)I2SB-S1",6,"(C4904~1,Sb;C2139;I2738;2753","IC945;I977;IC978",".(C6H5)BR2SB-S1","x","KUTYAZ","Sb(C6H5)I2;diiodo(phenyl)antimony(III)")
mo("(pCH3C6H4)CL2SB-S1",6,"(PCH3C~3,Sb;C2148;Cl2371;2396","ClC923;Cl941;ClC945",".(C6H5)2BRSB-S1","x","POSWUP","Sb(C7H7)Cl2;dichloro(4-methylphenyl)antimony(III)")
mo("(pCH3C6H4)BR2SB-S1",6,"(PCH3C~2,Sb;C2156;Br2516;2551","CBr927;952;Br957",".(C6H5)2BRSB-S1","x","POSXAW","Sb(C7H7)Br2;dibromo(4-methylphenyl)antimony(III)")
mo("SbC4-1",8,",Sb;C2079;2089;2104;2137","1074;1078;109;1096;111;112",".I2ClSB-S1","x","SUCYUK","Sb(CH3)41+;tetramethylantimonium(III) cation")
mo("SbC4-2",8,",Sb;C2094;2103;2111;2126","1073;1084;1093;1098;1106;1113",".I2ClSB-S1","x","SUCYUK",".SbC4-1;")
mo("SBBICRAG",-8,"M,Sb;Ga2678;2681;Si2545;2558","Ga1184;GaSi1051;1059;1073;1161;Si1023","","x","BICRAG",".GABICRAG;")
mo("F-SBF4",-12,",Sb;F192;207","812;90;155","R.R.Ryan,S.H.Mastin,IOC,10,1757,1971","x","","SbF41-;tetrafluoroantimony(III) anion")
mo("(CH3)3SbCl2-1",13,"(CH3)3~2,Sb;C2116;2125;2151;Cl2474;2571","ClC865;879;899;906;909;943;C1161;1198;1237;Cl177",".SbCl3-3","x","MESBCA","Sb(CH3)3Cl2;dichloro(trimethyl)antimony(V)")
mo("(C6H5)3CL2SB-S1",13,"(C44B0~1,Sb;C2097;2099;2109;Cl2475;2512","ClC888;889;896;902;909;917;C1176;1207;1217;Cl1773",".SbCl3-1","x","BUMGEV","Sb(C6H5)3Cl2;dichloro(triphenyl)antimony(V)")
mo("(C6H5)3SbF2-1",13,"(C179B~1,Sb;F1969;1978;C2098;2103;2107","FC897;898;903;907;C1173;1196;1231;F1795","A.N.Chekhlov,Dokl.Akad.Nauk SSSR,328,205,1993","x","HEBKEE","Sb(C6H5)3F2;difluoro(triphenyl)antimony(V)")
mo("(C6H5)BR2SB-S1",6,"(C55D1~1,Sb;C2159;Br2526;2563","CBr93;Br956;CBr961","O.Mundt,G.Becker,H.Stadelmann,H.Thurn,Z.Anorg.Allg.Chem.,617,59,1992","x","KUTXUS","Sb(C6H5)Br2;dibromo(phenyl)antimony(III)")
mo("(C6H5)4SbCl-1",13,"(CCB0D~1,Sb;C2084;2121;215;Cl2739","ClC814;818;902;C948;961;964;1154;1168;1248;ClC1736","V.A.Lebedev,R.I.Bochkova,E.A.Kuz'min,V.V.Sharutin,N.V.Belov Dokl.Akad.Nauk SSSR,60,1124,1981","x","BEJFIF","Sb(C6H5)4Cl;chloro(tetraphenyl)antimony(V)")
mo("(C6H5)2SbBr3-1",13,"(C554E~1,Sb;C2149;Br2479;2558;2673","883;CBr896;90;Br934;CBr1033;C1534;Br1783","S.P.Bone,D.B.Sowerby,JCSD,,718,1979","x","DPSBTB","Sb(C6H5)2Br3;tribromo(diphenyl)antimony(V)")
mo("(C6H5)2SbCl2Br-1",13,"(C01B8~1,Sb;C2128;Cl2434;Br2444;Cl2549","ClBr881;ClC884;912;ClBr936;CBr102;C1556;Cl1783",".(C6H5)2SbBr3-1","x","DPSBCB","Sb(C6H5)2Cl2Br;bromodichloro(diphenyl)antimony(V)")
mo("SbF6-1",16,",Sb;F184;1852;1857;1859;1862;1865","882;887;89;891;894;899;901;906;91;914;921;1783;1793;1794","M.J.Burk,B.Segmuller,R.H.Crabtree,Organometallics,6,2241,1987","x","FUJLAX","SbF61-;hexafluoroantimony(V) anion")
mo("F-SBF6",-16,",Sb;F188","90;180","G.J.Kruger,C.W.F.T.Pistorius,A.M.Heyns,ACB,32,2916,1976","x","",".SbF6-1;")
mo("SBTOQLOA",-16,"M,Sb;F1814;1832;1845;1860;1902;2005","F840;849;867;881;886;892;917;922;930;933;934;940;1729;1732;1767","C.Bach,H.Willner,Changqing Wang,S.J.Rettig,J.Trotter,F.Aubke,'Angew.Chem.,Int.Ed.Engl. ',35,1974,1996","x","TOQLOA","[SbF5]2F1-;(/m~2~-fluoro)-bis(pentafluoroantimony(V)) anion")
mo("SbF5minus2",15,"SBF5MI~1,Sb;F1924;2081;2082","789;793;856;866;898;1581","H.Maluszynska,ACC,50,1909,1994","x","WIJYET","SbF52-;pentafluoroantimony(III) anion")
mo("SbCl5-1",15,",Sb;Cl2395;2482;2536;2788;2845","866;867;87;877;885;894;976;173;1739","A.Lipka,Z.Anorg.Allg.Chem.,469,218,1980","x","ANILAC10","SbCl52-;pentachloroantimony(III) anion")
mo("SbCl5-2",15,",Sb;Cl2488;2492;2512;2791;2852","853;87;879;896;909;911;913;957;1728;1765","K.Matsumoto,S.Ooi,Z.Kristallogr.,150,139,1979","x","ENPTCB",".SbCl5-1;")
mo("SbCl5-3",15,",Sb;Cl2409;2588;261;2617;2678","868;876;878;88;891;912;915;1745;1779","A.Lipka,Z.Naturforsch.,Teil B,38,1615,1983","x","PYCLSB01",".SbCl5-1;")
mo("SbBr5-1",15,",Sb;Br2562;2682;2737;2796;2883","87;875;88;893;914;916;924;929;1763;1793","J.M.Carola,D.D.Freedman,K.L.McLaughlin,P.C.Reim,W.J.Schmidt,R.G.Haas,W.J.Broome,E.A.DeCarlo,S.L.Lawton,CSC,5,393,1976","x","CLPYSB","SbBr52-;pentabromoantimony(III) anion")
mo("SbBr5-2",15,",Sb;Br257;2624;2767;2827;3016","873;881;905;909;922;923;928;934;1737;1763","H.A.Abdel-Rehim,E.A.Meyers,CSC,2,45,1973","x","PIPBSB",".SbBr5-1;")
mo("(C6H5)5Sb-1",15,"(C0775~1,Sb;C2128;2202;2213;2225","867;878;884;886;964;996;1048;1059;1492;164","A.L.Beauchamp,M.J.Bennett,F.A.Cotton,JACS,90,6675,1968","x","PHENSB01","Sb(C6H5)5;pentaphenylantimony(V)")
mo("SbI4C-1",15,",Sb;C2171;I291;2988;3053;320","IC862;875;879;I882;895;905;IC916;I917;1737;1786",".I2ClSB-S1","x","SUCYUK","Sb(CH3)I42-;tetraiodo(methyl)antimony(III) anion")
mo("(C6H5)SbCl4-1",15,"(C3C02~1,Sb;C2152;Cl2535;2592;2702;2768","ClC847;854;Cl87;872;896;ClC897;899;Cl958;1736;1742","M.Hall,D.B.Sowerby,JOMC,347,59,1988","x","GENMUH","Sb(C6H5)Cl42-;tetrachloro(phenyl)antimony(III) anion")
mo("SBGOMMEA",47,"M,Sb;C2451;2478;2490;2524;2592;2607;2660;2671;2705;2742","C295;307;311;314;315;321;322;327;336;515;516;520;521;522;524;528;532;533;540;1006;1083;1097;1121;1162;1224;1245;1309;1327;1347;1392;1396;1404;1420;1448;1462;1521;1533;1534;1544;1604;1606;1628;1653;1655","H.Sitzmann,Y.Ehleiter,G.Wolmershauser,A.Ecker,C.Uffing,H.Schnockel,'J.Organomet.Chem. ',527,209,1997","x","GOMMEA","Sb(C10H15)21+,AlI41-;bis(MCP)stibocenium cation with tetraiodoaluminium anion")
mo("SCBAKPOT",-13,"M,Sc;Cl2443;N2024;2025;2288;O2205","ClN895;1223;1358;ClO861;N825;865;1006;NO963;1012;1722","B.D.Ward,S.R.Dubberley,A.Maisse-Francois,L.H.Gade,P.Mountford,'J.Chem.Soc.,Dalton Trans. ',,4649,2002","x","BAKPOT","(C4H8O)Sc(C15H29N3Si2)Cl;chloro-(2-(2-methyl-1,3-bis(trimethylsilylamido)prop-2-yl)pyridine)-(tetrahydrofuran)-scandium")
mo("SCBOVCAQ",-49,"M,Sc;C2457;2463;2473;2475;2497;H2024","C331;332;333;336;544;546;555;561;827;857;1012;1051;1120;1169;1207;1344;1364;1380;1444;1483;1536;1689;1712;CH808;838;894;916;1041;1120;1209;1252;1346;1390;H552","M.F.Lappert,A.Singh,J.L.Atwood,W.E.Hunter,'Chem.Commun. ',,206,1983","x","BOVCAQ","Sc(C11H21Si2)2(BH4);bis(eta5-1,3-trimethylsilyl-cyclopentadienyl)-scandium(III)-tetrahydroborate")
mo("SCDOFGAG",-49,"M,Sc;C2452;2462;2472;2493;2494;2495;2499;2500;2521;2527;F2026;2035","C310;312;313;318;319;321;324;327;330;342;513;518;524;527;533;540;542;546;775;796;837;906;989;1038;1043;1067;1140;1145;1154;1216;1225;1308;1330;1335;1457;1460;1478;1535;1546;1724;CF816;837;838;843;849;876;883;903;1049;1102;1103;1137;1160;1189;1192;1242;1342;1354;1359;1365;F868","F.Bottomley,D.E.Paez,P.S.White,'J.Organomet.Chem. ',291,35,1985","x","DOFGAG","[Sc(C5H5)2F]3;cyclo-tris(bis(CP)-fluoro-scandium)")
mo("H2Se",3,",Se;H146","91","T.Oka,Y.Morino,J.Mol.Spect.,8,300,1962","mw","","SeH2;hydrogen selenide")
mo("Se(CH3)2",3,",Se;C198","98","E.Goldish,K.Hedburg,R.E.Marsh,V.Schomaker,JACS,77,2948,1955","ed","","Se(CH3)2;dimethylselenide")
mo("F-SEF4",-12,",Se;F168;177","866;1006;1693","I.C.Bowater,R.D.Brown,F.R.Burden,J.Mol.Spect.,28,454,1968","mw","","SeF4;selenium tetrafluoride")
mo("SeCl4-1",9,",Se;Cl2399;2412;2462;2491","885;898;903;914;1771;1788",".CH3CN-1","x","VIKHUS","SeCl42-;tetrachloroselenium(II) anion")
mo("F-SIH4",-8,",Si;H148","1095","D. R. J. Boyd JCP 23, 922 (1955)","ir","","SiH4;silane")
mo("F-SIHF3",-8,",Si;H1455;F1565","1083;HF1106","G. A. Heath, L. F. Thomas, J. Sheridan Trans. Farad Soc. 50, 779 (1954)","mw","","SiHF3;trifluorosilane")
mo("F-SIHCL3",-8,",Si;H147;Cl2021","1094;HCl1095","R. C. Mockler, J. H. Bailey, W. Gordy JCP 21, 1710, (1953)","mw","","SiHCl3;trichlorosilane")
mo("F-SIHBR3",-8,",Si;H157;Br216","HBr1084;Br1105","R.Spitzer,W.J.Howell,Jr.,V.Schomaker JACS,64,62,1942","ed","","SiHBr3;tribromosilane")
mo("F-SIF4",-8,",Si;F154","1095","L.O.Brockway,F.T.Wall,JACS,56,2373,1934","ed","","SiF4;silicon tetrafluoride")
mo("F-SICL4",-8,",Si;Cl201","1095","Nippon Kagaku Zasshi,69,104,1948","ed","","SiCl4;silicon tetrachloride")
mo("SIBR4",-8,"M,Si;Br2150","Br1095","TID","ed","","SiBr4;silicon tetrabromide")
mo("SII4",-8,"M,Si;I2430","I1095","TID","ed","","SiI4;silicon tetraiodide")
mo("SIBR2F2",-8,"M,Si;Br2160;F1544","Br1110;BrF1116;F990","TID","ed","","SiBr2F2;dibromodifluorosilane")
mo("SICLF3",-8,"M,Si;Cl2030;F1550","ClF1115;F1074","TID","ed","","SiClF3;chlorotrifluorosilane")
mo("SIBRCL3",-8,"M,Si;Br2190;Cl2050","BrCl1070;Cl1118","TID","ed","","SiBrCl3;bromotrichlorosilane")
mo("SIAFAKEX",-8,"M,Si;C1872;1873;N1743","C1055;1068;1077;CN1062;1119;1181",".GAAFAJUM","x","AFAKEX","[(C7H19LiN2Si2)Ga(CH3)3]2~~;.GAAFAKEX")
mo("SIBICRAG",-8,"M,Si;C1862;1863;1872;Sb2558","C1096;1098;CSb1070;1096;1112","","x","BICRAG",".GABICRAG;")
mo("F-SIF6",-16,",Si;F171","90;180","Z.Krist.,92,155,1935","x","","SiF62-;silicon hexafluoride anion")
mo("SMNASLOI",-38,"M,Sm;I3176;3205;O2535;2552;2665","I729;1435;IO715;723;732;816;826;917;947;1235;1401;O586;609;621;1137;1190;1220;1465;1633;1767","C.Runschke,G.Meyer,'Z.Anorg.Allg.Chem. ',623,981,1997","x","NASLOI","(C20H24O6)SmI3;(dibenzo-18-crown-6)-triiodo-samarium(III)")
mo("SNCL4",-8,"M,Sn;Cl2300","Cl1095","TID","ed","","SnCl4;tin tetrachloride")
mo("SNBR4",-8,"M,Sn;Br2440","Br1095","TID","ed","","SnBr4;tin tetrabromide")
mo("SNI4",-8,"M,Sn;I2640","I1095","TID","ed","","SnI4;tin tetraiodide")
mo("SNACELID",-8,"M,Sn;C2104;2141;S2481;2538","C1262;CS990;1085;1111;1148;S887","M.I.Mohamed-Ibrahim,Suan See Chee,M.A.Buntine,M.J.Cox,E.R.T.Tiekink,'Organometallics ',19,5410,2000","x","ACELID","Sn(CH3)2(SCSOCH3)2;bis(methyl dithiocarbonato)-dimethyl-tin")
mo("SNAFASOP",-8,"M,Sn;C2171;Cl2313;2324","CCl1154;1178;Cl1020","H.Reuter,H.Eickmeier,H.Puff,N.Beckermann,D.Hanssgen,ACSC,58,m217,2002","x","AFASOP","Sn(C4H9)Cl3;t-butyl-trichloro-tin(IV)")
mo("SNBAKNIK",-8,"M,Sn;C2017;2222;S2521","C1315;CS1048;1106;S842","K.M.A.Malik,P.F.Lindley,J.W.Jeffery,'J.Bangladesh Acad.Sci. ',5,53,1981","x","BAKNIK","Sn(CH3)2(C5H8NS2)2;dimethyl-bis(1-pyrrolidinylcarbodithioato-S,S')-tin")
mo("SNBENBAX",-13,"M,Sn;C2100;2107;Cl2371;2497;O2358","C1466;CCl927;952;1045;1072;CO833;867;Cl944;ClO894;1762","G.Valle,S.Calogero,U.Russo,'J.Organomet.Chem. ',228,C79,1982","x","BENBAX","(C5H9N2O)Sn(CH3)2Cl2;dichlorodimethyl-tetramethylurea-tin(IV)")
mo("SNBAHNEE",-16,"M,Sn;C2156;S2720;2732","C1800;CS846;855;945;954;S889;911;1800","Yunyin Niu,Yuxiao Wang,Yinglin Song,Shixiong Liu,Hegen Zheng,Xinquan Xin,'Chem.Lett. ',,1004,2001","x","BAHNEE","Sn(C4H9)2(C24H20NP2S2)2;di-n-butyl-bis(imidobis(diphenylthiophosphinato))-tin(IV)")
mo("SNBARSUI",-16,"M,Sn;Cl2367;2387;O2137","Cl898;902;1800;ClO892;899;901;908;O1800","F.Fournet,F.Theobald,'Inorg.Chim.Acta ',52,15,1981","x","BARSUI","(C6H12O)2SnCl4,C6H12O;tetrachloro-bis(cyclohexanol)-tin(IV) bis(cyclohexanol)")
mo("SRMICSEW",-3,"M,Sr;O2534","O799","M.Westerhausen,C.Guckel,T.Habereder,M.Vogt,M.Warchhold,H.Noth,'Organometallics ',20,893,2001","x","MICSEW","(C4H8O)Sr2+, Zn[CH2Si(CH3)3]31-;bis(bis(/m~2~-trimethylsilylmethyl)-(tetrahydrofuran)-(trimethylsilylmethyl)-zinc)-strontium")
mo("SRGEGTOB",-16,"M,Sr;O2544","O776;812;1007;1777","A.Taeb,H.Krischner,C.Kratky,'Z.Kristallogr. ',177,263,1986","x","GEGTOB","(C6H15NO3)2Sr2+, N31-;bis(triethanolamine)-strontium(II) cation with azide anion")
mo("SRLINYEM",-21,"M,Sr;O2513;2539;2583;2597;2607;2623","O728;738;743;748;783;795;829;832;1058;1070;1337;1383;1394;1467;1474","H.Ptasiewicz-Bak,A.Ostrowski,J.Leciejewicz,'Pol.J.Chem. ',72,2014,1998","x","LINYEM","(H2O)4Sr(C5H3N2O2)2;cis-tetraaqua-bis(pyrazine-2-carboxylato)-strontium(II)")
mo("SRTANWAG",-22,"M,Sr;Br2962;3027;N2719;2726;2727;2750;2755","Br1779;BrN853;873;884;887;903;904;914;917;928;938;N706;724;733;735;1410;1429;1438;1455;1459","A.F.Waters,A.H.White,'Aust.J.Chem. ',49,35,1996","x","TANWAG","(C5H5N)5SrBr2;trans-dibromo-pentapyridyl-strontium(II)")
mo("SRBACLIB",-30,"M,Sr;N2727;2745;2748;O2504","N584;593;630;1170;1207;1216;1800;NO813;863;937;987;O1800","F.Benetollo,G.Bombieri,K.M.Samaria,L.M.Vallarino,J.W.Williams,'Polyhedron ',20,3143,2001","x","BACLIB","(C26H30N6)Sr(OSO2CF3)2;trans-bis(trifluoromethylsulfonato)-(meso-2,4,7,13,15,18-hexamethyl-3,6,14,17,23,24-hexazatricyclo(17.3.1.1^8,12^) tetracosa-1(23),2,6,8(24),9,11,13,17,19,21-decaene)-strontium(II)")
mo("taco6-1",16,",Ta;C2083","891;909;180",".nbco6-1","x","BUVGII","(CO)6Ta1-;hexacarbonyltantalum anion")
mo("mTapyr3Cl3",16,"MTAPYR~1,Ta;N2212;2213;2255;Cl2415;2429;243","NCl862;866;N882;NCl889;N893;NCl895;903;906;907;921;Cl925;946;1729;N1775;NCl1787","F.A.Cotton,C.A.Murillo,Xiaoping Wang Inorg.Chim.,Acta,245,115,1996","x","NAFRUH","(C5H5N)3TaCl3;mer-trichloro-tris(pyridine)tantalum(III)")
mo("F-TAF7B",-23,",Ta;F1917;1936;1952;1953;1954;1965;1975","73;75;762;766;773;775;787;795;802;803;847;904;962;1208;1217;1234;1265;1411;1459;1562;159","C. C. Toradi, L. H. Brixner J. Solid State Chem. 67, 21 (1987)","x","","TaF72-;heptafluoro-tantalum(V) anion")
mo("F-TAF8A",-26,",Ta;F1933;1973;1974;2005;2006;2019","728;733;734;735;736;758;766;77;771;773;1164;1169;1194;1368;1408;1441;1442;1449;145","J.L.Hoard,W.T.Martin,M.E.Smith,J.F.Whitney,JACS,76,3820,1954","x","","TaF83-;octafluoro-tantalum(V) anion")
mo("tacp2h3-1",-50,"TACP2H~1,Ta;H1769;1774;1776;C2379;2381;2385;2387;2388;2393;2395;2403;2406;2413","342;344;345;346;347;349;572;573;574;575;576;H628;63;HC685;686;69;691;79;797;826;C84;HC845;C862;HC864;872;898;914;937;C942;HC943;955;C965;HC977;997;100;C1079;1091;1112;1127;HC1168;C1172;HC1189;1208;121"+"3;C1227;HC1235;1244;1258;H;HC1259;C1278;1282;HC1299;C1303;1307;HC1321;1336;1337;C1407;1411;1433;1483;1491;1535;1543;1584;1622;1646","R .D.Wilson,T.F.Koetzle,D.W.Hart,A.Kvick,D.L.Tipton,R.Bau,JACS,99,1775,1977","nd","TACPTH","Ta(C5H5)2H3;bis(CP)trihidridotantalum(V)")
mo("TBGENMER",-16,"M,Tb;Cl2564;2568;2585;2729;2749;N2522","Cl801;888;905;913;944;963;975;1008;1647;1663;ClN810;828;853;873;1715","G.Crisci,G.Meyer,'Z.Anorg.Allg.Chem. ',624,927,1998","x","GENMER","[(CH3CN)TbCl4]2;bis(/m~2~-chloro)-bis(acetonitrile)-hexachloro-diterbium(III) anion")
mo("TBXEFHAR",-16,"M,Tb;Cl2631;2657;2691","Cl841;872;876;893;922;938;949;1712;1771","W.Urland,J.Hallfeldt,'Z.Anorg.Allg.Chem. ',626,2569,2000","x","XEFHAR","TbCl63-;hexachloroterbium(III) anion")
mo("TBYIYJEV",-16,"M,Tb;Cl2621;2637;O2344","Cl881;919;1800;ClO891;898;902;909;O1800","W.J.Evans,J.L.Shreeve,J.W.Ziller,R.J.Doedens,'Inorg.Chem. ',34,576,1995","x","YIYJEV","(C4H8O)2TbCl41-;tetrachloro-bis(tetrahydrofuran)-terbium(III) anion")
mo("TBXABROI",-22,"M,Tb;Cl2610;2619;2693;2737;O2361;2386;2400","Cl894;914;919;925;1445;1712;ClO721;724;726;732;831;850;886;890;929;958;1422;1429;O700;1445;1453","J.Hallfeldt,W.Urland,'J.Alloys and Compounds ',344,161,2002","x","XABROI","(H2O)3TbCl41-;tetrachloro-triaqua-terbium(III) anion")
mo("TBYIYJE2",-22,"M,Tb;Cl2598;O2385;2406;2430","Cl1799;ClO853;854;899;946;947;O720;724;728;1431;1436;1440",".TBYIYJEV","x","YIYJEV","(C4H8O)4TbCl21+;Dichloro-pentakis(tetrahydrofuran)-terbium(III) anion")
mo("TBBUVX~1",-32,"M,Tb;O2379;2380;2527;2528","O666;723;751;905;1200;1346;1388","A.Chatterjee,E.N.Maslen,K.J.Watson,'Acta Crystallogr.,Sect.B:Struct.Sci. ',44,381,1988","x","BUVXEV01","(H2O)9Tb3+;nonaaqua-terbium(III)")
mo("TBHIZHAZ",-36,"M,Tb;Cl2616;2621;2628;N2512;2542;2544;2568","Cl886;942;990;ClN787;791;805;811;822;876;1138;1252;1285;1673;1676;1782;N641;649;652;995;998;1096","R.Wietzke,M.Mazzanti,J.-M.Latour,J.Pecaut,P.-Y.Cordier,C.Madic,'Inorg.Chem. ',37,6690,1998","x","HIZHAZ","[((C5H4N)CH2)3N]2TbCl3  ;trichloro-tris(2-pyridylmethyl)amido-terbium(III)")
mo("TBHULDEX",-38,"M,Tb;N2492;2499;2509;O2393;2398;2428;2431;2435;2448","N1173;1190;1237;NO639;640;643;644;715;728;735;740;757;762;1322;1344;1353;1354;1355;1404;O745;756;768;785;811;851;889;924;1278;1281;1283;1451;1483;1498","Lin Chen,Xian-Hong Yin,Min-Yu Tan,Chun-Gu Xia,Kai-Bei Yu,'Acta Crystallogr.,Sect.E:Struct.Rep.Online ',58,m666,2002","x","HULDEX","C21H9N3O12Tb13-;tris(pyridine-2,6-dicarboxylato-N,O,O')-terbium(III)")
mo("TBPEGYAB",-47,"M,Tb;C2524;2529;2534;2535;2537;2542;2553;2627;2644;2652;2665;2679","C307;309;310;311;316;318;320;322;324;325;508;509;512;513;606;608;612;613;614;616;618;826;832;833;835;837;838;839;920;921;923;925;1057;1058;1074;1078;1088;1093;1100;1101;1115;1122;1143;1149;1151;1153;1201;1211;1226;1227;1250;1254;1317;1320;1325;1326;1381;1391;1429;1430;1439;1448;1507;1517;1533;1534;1554;1558;1598;1601;1611;1613","H.Schumann,J.Winterfeld,R.D.Kohn,L.Esser,J.Sun,A.Dietrich,'Chem.Ber. ',126,907,1993","x","PEGYAB","Tb(C8H8)(C13H21);(/h^8^-cyclooctatetraenyl)-(/h^5^-1,3-di-t-butylcyclopentadienyl)-terbium(III)")
mo("TBYORNUO",-49,"M,Tb;Br2871;2872;C2584;2592;2599;2600;2604;2607;2615;2618;2650","Br843;BrC831;836;843;858;917;939;990;1007;1062;1064;1109;1132;1199;1233;1285;1304;1337;1339;1359;C286;287;295;297;304;312;315;333;484;489;492;500;503;506;510;514;517;789;874;877;946;1025;1075;1129;1132;1192;1195;1237;1239;1265;1288;1352;1354;1368;1387;1388;1434;1525;1613;1649;1692","J.Schmitz,H.Schilder,H.Lueken,'J.Alloys and Compounds ',209,49,1994","x","YORNUO","[Tb(C10H10)Br]2;bis((/m~2~-bromo)-bis(CP)-terbium)")
mo("TCDOLBUB",-13,"M,Tc;N1623;2135;S2356","N990;1620;NS822;910;1122;S1356","J.Baldas,J.Bonnyman,G.A.Williams,'Inorg.Chem. ',25,150,1986","x","DOLBUB","Tc(C9H6NS)2N;bis(8-quinolinethiolato)-nitrido-technetium(V)")
mo("TCBAPPIR",-16,"M,Tc;N2114;2139;O1754","N831;969;1800;NO889;897;903;911;O1800","S.A.Zuckman,G.M.Freeman,D.E.Troutner,W.A.Volkert,R.A.Holmes,D.G.VanDerveer,E.K.Barefield,'Inorg.Chem. ',20,2386,1981","x","BAPPIR","(C10H24N4)TcO21+, Cl1O41-;trans-dioxo-(tetraaza-14-crown-4)-technetium(V) cation with perchlorate anion")
mo("TCCEPO~1",-16,"M,Tc;Cl2409;2416;P2405;2408;2425","Cl1788;ClP816;819;824;825;963;975;982;996;P905;908;913;917;1641;1642","U.Mazzi,D.A.Clemente,G.Bandoli,L.Magon,A.A.Orio,'Inorg.Chem. ',16,1042,1977","x","CEPOPT10","(C10H15O2P)4TcCl2;dichloro-tetrakis(diethyl-phenylphosphonite) technetium(II)")
mo("TCCUHXUY",-16,"M,Tc;Br2538;2570;N2141;2147;O1684;1855","Br1743;BrN891;900;901;909;BrO852;884;892;972;N1787;NO885;904;925;O1730","P.H.Fackler,M.E.Kastner,M.J.Clarke,'Inorg.Chem. ',23,3968,1984","x","CUHXUY","(C5H4N2O2)Tc(OCH2CH3)(O)Br2;dibromo-ethoxo-oxo-bis(4-nitropyridine)-technetium(V)")
mo("TCCUMBIV",-16,"M,Tc;Cl2359;N2179;2216;O1650;1948;1994","ClN864;1683;ClO898;910;1004;N1009;NO762;807;821;887;903;1642;O886;1055;1618","B.E.Wilcox,M.J.Heeg,E.Deutsch,'Inorg.Chem. ',23,2962,1984","x","CUMBIV","Tc(C10H8NO)2(O)Cl;cis-chloro-bis(2-methyl-8-quinolinolato)-oxo-technetium(V)")
mo("TCDUCRAU",-16,"M,Tc;Br2543;2582;C2080;2081;2138;N1726","Br1701;BrC828;874;878;888;893;926;BrN921;977;C838;874;1708;CN924;962;1749","K.E.Linder,A.Davison,J.C.Dewan,C.E.Costello,S.Maleknia,'Inorg.Chem. ',25,2085,1986","x","DUCRAU","[(CH3)3CNC)3TcBr2(NO);dibromo-tris(t-butyl-isocyanide)-nitrosyl-technetium(I)")
mo("TCFOKCIR",-16,"M,Tc;C1900;1983;1986;2007;2024;Tc3034","C883;901;903;904;925;926;946;952;1701;1747;CTc840;851;862;897;1773","M.F.Bailey,L.F.Dahl,'Inorg.Chem. ',4,1140,1965","x","FOKCIR","[(CO)5Tc]2;decacarbonyl-ditechnetium")
mo("TCACESAC",-15,"M,Tc;N2257;O1659;S2289;2294;2329","NO1053;NS813;832;1481;OS1066;1100;1113;S862;870;1384","P.Bouziotis,I.Pirmettis,M.Pelecanou,C.P.Raptopoulou,A.Terzis,M.Papdopoulos,E.Chiotellis,'Chem.-Eur.J. ',7,3671,2001","x","ACESAC","Tc(C6H10NS)(C7H9OS)2(O);bis(p-anisylthiolato)-(N,N-diethylaminoethylthiolato)-oxo-technetium")
mo("TCLILRED",-15,"M,Tc;Cl2311;2319;2324;2334;N1554","Cl866;867;877;881;1516;1575;ClN1008;1017;1039;1045","U.Abram,'Z.Anorg.Allg.Chem. ',626,619,2000","x","LILRED","TcCl4N1-;tetrachloro-nitrido-technetium(VI) anion")
mo("TCCUZCEF",-15,"M,Tc;Cl2323;N1581","Cl869;1533;ClN1033","J.Baldas,J.F.Boas,J.Bonnyman,G.A.Williams,'J.Chem.Soc.,Dalton Trans. ',,2395,1984","x","CUZCEF","TcCl4N1-, As(C6H5)41+;tetrachloro-nitrido-technetium(VI) anion with tetraphenylarsonium cation")
mo("TCFISCIT",-15,"M,Tc;O1658;S2315;2317;2319;2321","OS1082;1083;1084;1087;S833;835;852;1431;1433","S.F.Colmanet,M.F.Mackay,'Aust.J.Chem. ',40,1301,1987","x","FISCIT","Tc(C6H4S2)2(O)1-, As(C6H5)41+;tetraphenylarsonium bis(benzene-1,2-dithiolato)-oxo-technetium(V) anion")
mo("TCFONNIF",-15,"M,Tc;N1881;1900;2062;O1675","N774;777;825;874;1334;1348;NO1119;1126;1131;1140","S.Jurisson,K.Aston,C.K.Fair,E.O.Schlemper,P.R.Sharp,D.E.Troutner,'Inorg.Chem. ',26,3576,1987","x","FONNIF","Tc(C12H23N4O2)(O);(3,3,8,8-tetramethyl-4,7-diazadecane-2,9-dione dioximato-N,N',N'',N''')-oxo-technetium(V)")
mo("TeBr2",3,",Te;Br251;2511","98","M.T.Rogers,R.A.Spurr,JACS ,69,2102,1947","ed","","TeBr2;tellurium(II) bromide")
mo("(CF3)2TeF2-2",8,"(CF3)2~2,Te;F1973;1979;C2181;219","FC799;814;859;861;C946;F1603","H.Preut,B.Wilkes,D.Naumann,ACC,46,1113,1990","x","VEJWUC","Te(CF3)2F2;difluoro-bis(trifluoromethyl)tellurium(IV)")
mo("TeCl4-1",9,",Te;Cl2601;2614","899;901;180",".N(CH2CH3)4-1","x","DAMFAY","TeCl42-;tetrachlorotellurium(II) anion")
mo("TeI4-1",9,",Te;I224;2765","894;906;1788;180",".N(CH2CH3)4-1","x","DAMFIG","TeI42-;tetraiodotellurium(II) anion")
mo("(CH3)4Te-1",12,"(CH3)4~1,Te;C2126;2274;2309","848;849;1091;1622","A.J.Blake,C.R.Pulham,T.M.Greene,A.J.Downs,A.Haaland,H.P.Verne,H.V.Volden,C.J.Marsden,B.A.Smart,JACS,116,6043,1994","x","POBWOS","Te(CH3)4;tetramethyltellurium(IV)")
mo("(CF3)2TeF2-1",12,"(CF3)2~1,Te;F1972;C2187","FC806;845;C965;F1576","","x","VEJWUC",".(CF3)2TeF2-2;")
mo("(CH3)2TeCl2-1",12,"(CH3)2~2,Te;C2111;2116;Cl2488;2541","ClC865;866;877;893;C966;Cl1724","R.F.Ziolo,J.M.Troup,JACS,105,229,1983","x","DMTECL01","Te(CH3)2Cl2;dichlorodimethyltellurium(IV)")
mo("(CH3)2TeI2-1",12,"(CH3)2~3,Te;C2134;2156;I2845;2981","IC886;903;911;C913;IC914;I1783","L.Y.Y.Chan,F.W.B.Einstein,JCSD,,316,1972","x","DIDMTE","Te(CH3)2I2;diiodo(dimethyl)tellurium(IV)")
mo("(CH3)2TeI2-2",12,"(CH3)2~4,Te;C2126;2129;I2874;2955","IC875;899;902;904;C953;I1773",".(CH3)2TeI2-1","x","DIDMTE",".(CH3)2TeI2-1;")
mo("(C6H5)2TeF2-1",12,"(C991B~1,Te;F2006;C2115","FC876;878;C968;F1731","F.J.Berry,A.J.Edwards,JCSD,,2306,1980","x","FPHTEL","Te(C6H5)2F2;difluoro(diphenyl)tellurium(IV)")
mo("(C6H5)2TeCl2-1",12,"(C5CBE~1,Te;C2098;2115;Cl2481;2528","ClC88;885;887;891;C988;Cl1755","N.W.Alcock,W.D.Harrison,JCSD,,251,1982","x","OPNTED10","Te(C6H5)2Cl2;dichloro(diphenyl)tellurium(IV)")
mo("(C6H5)2TeBr2-1",12,"(C58CB~1,Te;C2177;Br2682","CBr906;908;C939;Br1779","G.D.Christofferson,J.D.McCullough,Acta Cryst.,11,249,1958","x","DPHTEB","Te(C6H5)2Br2;dibromo(diphenyl)tellurium(IV)")
mo("(C6H5)2TeI2-1",12,"(C9918~1,Te;C2133;I2928","IC914;916;C953;I1755","N.W.Alcock,W.D.Harrison,JCSD,,869,1984","x","CIFLEI","Te(C6H5)2I2;diiodo(diphenyl)tellurium(IV)")
mo("(C6H5)2TeI2-2",12,"(C9D18~1,Te;C2122;2139;I2893;2958","IC899;905;924;945;C967;I1744","","x","CIFLIM",".(C6H5)2TeI2-1;")
mo("(C6H5)2TeI2-3",12,"(C9128~1,Te;C2145;2153;I2883;2942","IC907;911;921;933;C942;I1742","","x","CIFLIM",".(C6H5)2TeI2-1;")
mo("TeBr6-1",16,",Te;Br2689;2695;2696","874;893;898;902;907;926;180","F.Dahan,O.Lefebvre-Soubeyran,ACB,32,2859,1976","x","ABUBTE","TeBr62-;tetrabromotellurium(IV) anion")
mo("TeF5minus",15,"TEF5MI~1,Te;F185;196","79;879;88;158","S.H.Mestin,R.R.Ryan,L.B.Asprey,IOC,9,2100,1970","x","","TeF51-;pentafluorotellurium(IV) anion")
mo("THCL4",-8,"M,Th;Cl2610","Cl1095","TID","ed","","ThCl4;thorium tetrachloride")
mo("TICL4",-8,"M,Ti;Cl2180","Cl1095","TID","ed","","TiCl4;titanium tetrachloride")
mo("TIBR4",-8,"M,Ti;Br2310","Br1095","TID","ed","","TiBr4;titanium tetrabromide")
mo("Ti(CO)6",16,"TI(CO)6,Ti;C2035;2037;204","875;883;889;911;917;925;180","J.E.Ellis,Kai-Ming Chi,JACS,112,6022,1990","x","SIDGIV","(CO)6Ti2-;hexacarbonyltitanium anion")
mo("mTipyr3Cl3",16,"MTIPYR~1,Ti;N2187;2223;2249;Cl235;2355;2392","NCl852;879;886;N89;NCl897;899;905;N914;NCl924;Cl925;945;173;N177;NCl1788","E.M.Lisetsky,L.O.Atovmyan,Yu.G.Borod'ko,Nouv.J.Chim.,5,603,1981","x","SITHAE","(C5H5N)3TiCl3;mer-trichloro-tris(pyridine)titatium(III)")
mo("fTiAnCl3",16,",Ti;N2164;2173;Cl2176;2195","N788;803;NCl888;892;901;Cl998;1001;NCl1652;1654","P.P.K.Claire,G.R.Willey,M.G.B.Drew,JCS,Chem.Comm.,,1100,1987","x","FIKZIG","(CH3CN)3TiCl3;fac-tris(acetonitrile)trichlorotitanium(III)")
mo("mTiAnCl3",16,",Ti;N2159;2165;2232;Cl2323;2332;2362","NCl854;868;N872;NCl881;N886;NCl896;899;909;918;933;Cl934;944;172;N1755;NCl1787","S.I.Troyanov,A.I.Tursina Koord.Khim.,12,1559,1986","x","DUDKUI10","(CH3CN)3TiCl3~;mer-tris(acetonitrile)trichlorotitanium(III)")
mo("TIBUMREG",-16,"M,Ti;Cl2242;2246;2441;2458;O1964","Cl830;892;897;903;942;947;976;1711;1718;ClO855;894;901;1736","","x","BUMREG",".MGBUMREG;")
mo("TICSOXTI",-22,"M,Ti;O2070;2101;2115;2130;2134","O702;727;735;857;887;895;929;940;1402;1436;1462;1731","M.G.B.Drew,D.J.Eve,ACS B,33,2919,1977","x","CSOXTI","(H2O)3Ti(C2O4)21-;triaqua-bis(oxalato-O,O')-titanium(III) anion")
mo("F-TINO3A",-28,",Ti;O2051;2054;2062;2069;2071;2073;208;2081","616;62;621;622;744;745;802;813;822;825;828;83;846;852;876;916;924;942;1276;1291;1297;1309;136;1363;1366;1613;1615","C.D.Cramer,S.C.Wallwork,JCS A,,1496,1966","x","","Ti(NO3)4;titanium(IV) tetranitrate")
mo("Ti(C6H6)2",-47,"TI(C6H~1,Ti;C222;2223;2228;2236;2239;2247","363;364;368;369;37;657;659;661;662;778;78;102;1022;1138;1139;1141;1143;143;1431;1432;1436;1437;180","G.G.Tairova,E.F.Kvashina,O.N.Krasochka,G.A.Kichigina,Yu.A.Shvetsov,E.M.Lisetsky,L.O.Atovmyan,Yu.G.Borod'ko Nouv.J.Chim.,5,603,1981","x","BELGOO10","Ti(C6H6)2;bis(eta6-benzene)titanium(0)")
mo("ticp2me2-1",-49,"TICP2M~1,Ti;C2171;2181;236;2371;2385;2393;2396;2402;2408;2415;2421;243","337;339;34;341;343;344;345;562;563;565;566;567;568;569;769;77;779;796;806;819;824;827;875;889;909;913;1019;1023;1034;1035;1088;1094;1103;111;1131;1139;1151;1211;1218;1225;1232;1243;1254;1334;1338;1342"+";1355;136;1385;1388;145;1458;1561;1571;1574;1584;1646","U.Thewalt,T.Wohrle,JOMC,464,C17,1994","x","PIGZOU","Ti(CH3)2(C5H5)2;bis(CP)dimethyltitanium(IV)")
mo("TLBUQVIS",-6,"M,Tl;P2880;2934;2953","P708;768;775","I.R.Shapiro,D.M.Jenkins,J.C.Thomas,M.W.Day,J.C.Peters,'Chem.Commun. ',,2152,2001","x","BUQVIS","Tl[B(C6H5)(CH2P(C6H5)2)3];(tris(diphenylphosphinomethyl)(phenyl)borate-P,P',P'')-thallium(I)")
mo("TLDEPHAH",-13,"M,Tl;Br2545;2551;O2377","Br1108;1384;BrO826;902;1002;O1595","W.Hiller,M.E.Garcia-Fernandez,M.R.Bermejo,M.V.Castano,ACSC,42,60,1986","x","DEPHAH","(C5H5NO)2TlBr3;tribromo-bis(pyridine-N-oxide)-thallium(III)")
mo("TLBOWKIH",-16,"M,Tl;N2229;2252;2328;2336;2376;2431","N759;767;795;847;849;853;891;937;1012;1021;1081;1087;1546;1565;1627","Guibin Ma,A.Ilyukhin,J.Glaser,I.Toth,L.Zekany,'Inorg.Chim.Acta ',320,92,2001","x","BOWKIH","(C2H8N2)3Tl3+;tris(ethylenediamine)-thallium(III) cation")
mo("TLBEZMUO",-30,"M,Tl;C2097;2115;O2676;2738;2782;2795;2805;2979","C1775;CO842;857;876;887;892;896;909;915;922;932;938;O571;597;602;608;610;624;1164;1176;1202;1215;1217;1762;1776;1788","D.L.Hughes,M.R.Truter,'Chem.Commun. ',,727,1982","x","BEZMUO","(C20H36O6)Tl(CH3)21+;(cis-cisoid-cis-dicyclohexano-18-crown-6)-dimethyl-thallium(III) cation")
mo("TMDAKQAH",-16,"M,Tm;Cl2592;2602;2609;","Cl860;885;886;899;902;915;970;1745;1777;","A.Becker,W.Urland,'J.Alloys and Compounds ',275,62,1998","x","DAKQAH","TmCl63-;hexachloro-thulium(III) anion")
mo("TMZADXAD",-16,"M,Tm;C2416;2421;2425;O2391;2401;2429;","C998;1014;1029;CO847;854;879;908;909;916;1618;1636;1662;O780;795;810;","L.N.Bochkarov,T.A.Stepantseva,L.N.Zakharov,G.K.Fukin,A.I.Yanovsky,Yu.T.Struchkov,'Organometallics ',14,2127,1995","x","ZADXAD","(C4H8O)3Tm(C6H5)3;triphenyl-tris(tetrahydrofuran)-thulium")
mo("TMACEQII",-22,"M,Tm;I3151;O2438;2502;2551;","I1790;IO800;841;895;967;998;O670;767;771;1380;1417;1541;","M.N.Bochkarev,I.L.Fedushkin,S.Dechert,A.A.Fagin,H.Schumann,'Angew.Chem.,Int.Ed.Engl. ',40,3176,2001","x","ACEQII","(C4H8O)(C4H10O2)2TmI2;bis(1,2-bis(dimethoxy)ethane)-diiodo-tetrahydrofuran-thulium(II)")
mo("TMZZZA~1",-32,"M,Tm;O2340;2341;2503;2504;2505;","O662;727;751;905;906;1200;1345;1388;","R.E.Gerkin,W.J.Reppart,'Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. ',40,781,1984","x","ZZZARJ01","(H2O)9Tm3+;nonaaqua-thulium(III)")
mo("TMXIFJIF",-41,"M,Tm;H2221;2302;2443;","H374;379;397;798;809;899;929;939;1167;1178;1186;1190;1201;1539;1540;","A.S.Antsyshkina,G.G.Sadikov,A.P.Borisov,V.D.Mashaev,'Zh.Neorg.Khim.(Russ.)(Russ.J.Inorg.Chem.) ',46,1273,2001","x","XIFJIF","Tm(BH4)41-;tetrakis(tetrahydroborato)-thulium(III)")
mo("TMRACYUQ",-47,"M,Tm;C2588;2589;2596;2597;2598;2599;2618;2620;2628;2630;2632;2633;2637;2638;","C309;310;311;312;313;314;315;317;592;594;595;599;600;601;602;603;604;803;805;806;807;809;815;816;818;819;820;883;885;886;891;892;902;903;904;905;906;915;918;924;965;967;975;976;978;981;983;986;993;997;998;1001;1002;1006;1007;1181;1183;1187;1194;1196;1197;1199;1200;1205;1207;1209;1211;1212;1218;1219;1221;1467;1468;1474;1477;1480;1481;1486;1487;1489;1493;1496;1498;1505;1506;1773;1774;1778;1783;1784;1788;1793;","G.W.Rabe,M.Zhang-Presse,J.A.Golen,A.L.Rheingold,'Acta Crystallogr.,Sect.E:Struct.Rep.Online ',59,m255,2003","x","RACYUQ","Tm(C8H8)21-;(/h^8^-cyclooctatetraenyl)-thulium(III) anion")
mo("TMVODMEG",-50,"M,Tm;C2627;2633;2637;2648;2650;I3015;N2789;","C308;309;310;510;512;830;873;949;1048;1095;1172;1212;1258;1335;1336;1480;1512;1520;1567;1750;CI875;1017;1060;1326;1364;CN645;713;779;875;879;911;1087;1152;1180;1205;IN790;N1579;","I.L.Fedushkin,F.Girgsdies,H.Schumann,M.N.Bochkarev,'Eur.J.Inorg.Chem. ',,2405,2001","x","VODMEG","Tm(C9H14N)2I;iodo-bis(/h^5^-dimethylaminoethylcyclopentadienyl)-thulium(II)")
mo("TMWOFMUZ",-51,"M,Tm;C2557;2604;2627;2631;2633;2642;2650;2670;2674;2688;2709;2713;2749;2784;2843;","C290;295;296;300;301;304;307;308;311;312;488;491;498;499;501;503;504;505;506;509;687;708;731;734;744;772;774;784;802;842;852;913;925;931;934;935;943;951;954;964;1005;1019;1032;1043;1051;1058;1071;1081;1094;1103;1114;1125;1126;1142;1156;1170;1188;1195;1201;1206;1211;1214;1215;1224;1226;1227;1228;1229;1230;1252;1258;1262;1276;1284;1309;1345;1350;1357;1388;1401;1407;1417;1423;1439;1462;1502;1507;1529;1539;1553;1558;1649;1654;1709;","S.Al-Juaid,Y.K.Gun'ko,P.B.Hitchcock,M.F.Lappert,Shun Tian,'J.Organomet.Chem. ',582,143,1999","x","WOFMUZ","Tm(C12H23Si2)3;tris(/h^5^-(bis(trimethylsilyl)methyl)-cyclopentadienyl)-thulium(III)")

mo("U_OBUKIF",-16,"M,U;Br2809;2819;O1780","Br882;918;1800;BrO886;894;906;914;O1800","J.A.Danis,M.R.Lin,B.L.Scott,B.W.Eichhorn,W.H.Runde,'Inorg.Chem. ',40,3389,2001","x","OBUKIF","UBr4O22-;dioxo-tetrabromo-uranium(VI) anion")
mo("F-UO2F5A",-22,",U;O1679;1854;F2215;2229;2235;2241;2276","716;717;719;72;729;OF843;875;881;884;902;906;908;941;955;F1429;1431;1438;1443;1446;O1782","W. H. Zachariasen Acta Cryst. (1954). 7, 783-787","x","","UO2F53-;dioxofluouranate(VI) anion")
mo("V_QAVCEV",-13,"M,V;O1614;1944;1979;1998","O712;767;985;989;998;1004;1079;1235;1286;1478","M.Biagioli,L.Strinna-Erre,G.Micera,A.Panzanelli,M.Zema,'Inorg.Chim.Acta ',310,1,2000","x","QAVCEV","[V(C2H2O3)(O)2]22-;bis(/m~2~-glycolato)-dioxo-vanadium(V)) anion")
mo("vco6-3",16,",V;C1993;1995;2003;2004;2006","887;896;897;899;90;904;907;1792;1795","S.Bellard,K.A.Rubinson,G.M.Sheldrick,ACB,35,271,1979","x","FONGUK","(CO)6V;vanadium(0) hexacarbonyl")
mo("vco6-1",16,",V;C1879;1917;1928;1935;1944;1954","872;876;878;889;897;899;914;916;918;929;934;1787;1793","F.Calderazzo,G.Pampaloni,D.Vitali,P.F.Zanazzi,JCSD,,1993,1982","x","BOBHIJ","(CO)6V1-;hexacarbonylvanadium anion")
mo("vco6-2",16,",V;C1933;1937;1938;1943;1945;1964","828;865;873;874;883;896;903;917;921;93;95;974;172;1723;173",".cupph33-1","x","DEZYUC",".vco6-1;")
mo("vco6-4",16,",V;C1856;1865;187;1871;1885;1893","867;873;881;883;886;891;896;897;938;941;954;1747;1756;1767","L.D.Silverman,P.W.R Corfield,S.J.Lippard,,IOC,20,3106,1981","x","ZEFXUD",".vco6-1;")
mo("mVpyr3Cl3",16,"MVPYR3~1,V;N2165;2168;2181;Cl2327;233;2332","NCl86;869;N883;89;NCl894;90;901;902;908;919;Cl928;944;1729;N1773;NCl1785","K.L.Sorensen,J.W.Ziller,N.M.Doherty,ACC,50,407,1994","x","WEHZUE","(C5H5N)3VCl3;mer-trichloro-tris(pyridine)vanadium(III)")
mo("vtbnc6-1",16,",V;C2086;209;2128","867;891;896;904;909;933;180","L.D.Silverman,P.W.R.Corfield,S.J.Lippard,IOC,20,3106,1981","x","ZEFXUD","[(CH3)3CNC]6V2+;hexakis(tert-butylisocyanide)vanadium(II) cation")
mo("V_DABKEW",-16,"M,V;O1967;2005","O805;898;902;995;1800","I.E.Grey,I.C.Madsen,K.Sirat,P.W.Smith,ACSC,41,681,1985","x","DABKEW","(H2O)2V(C2O4)21-, Cs1+, H2O;trans-diaqua-bis(oxalato)-vanadium(III) anion with cesium cation and water")
mo("V_KABFEY",-15,"M,V;O1613;1909;1920;1997;2001","O811;824;853;918;1065;1067;1068;1076;1455;1465","J.T.Wrobleski,M.R.Thompson,'Inorg.Chim.Acta ',150,269,1988","x","KABFEY","[V(C4H2O6)(O)]24-;bis((/m~2~-d,l-tartrato)-oxo-vanadium(IV)) anion")
mo("vcp2-1",-47,",V;C2239;2242;2244;2245;2256","349;357;364;366;586;591;597;599;602;1198;1201;1203;1209;1214;1434;1436;1443;1451;180","M.Yu.Antipin,E.B.Lobkovskii,K.N.Semenenko,G.L.Soloveichik,Yu.T.Struchkov,Zh.Strukt.Khim 20,942,1979","x","CPNDYV","V(C5H5)2;bis(CP)vanadium(II) (vanadocene)")
mo("vcp2-2",-47,",V;C2241;2258;2273;2275;2283","356;361;366;371;372;599;612;615;62;118;1185;1188;1201;1428;1429;1434;1439;1444;180","R.D.Rogers,J.L.Atwood,D.Foust,M.D.Rausch,J.Cryst.Mol.Struct.,11,183,1981","x","CPNDYV02",".vcp2-1;")
mo("v2cp2ph-1",-47,"V2CP2P~1,V;C2226;2231;2233;2238;2242;2264;2265;2271;2273;2276","364;365;367;378;379;38;609;61;611;684;685;686;81;811;1058;1068;1076;110;1107;1108;113;1157;1179;1188;1209;1243;1244;1301;1305;1343;1383;1384;1442;1455;1505;152;1551;1601;1607;1665;1669;1707;1713","K.Angermund,K.H.Claus,R.Goddard,C.Kruger Angew.Chem.,Int.Ed.Engl.,24,237,1985","x","CAMXAP01","[V(C5H5)]2(C6H6);(/m~2~-/h~12~-benzene)-bis(/h~5~-cyclopentadienyl)-di-vanadium(I)")
mo("wco6-1",16,",W;C2018;2025;2032","892;895;898;899;902;903;91;1787;1796","F.Heinemann,H.Schmidt,K.Peters,D.Thiery,Z.Kristallogr.,198,123,1992","x","KOVSOD","(CO)6W;tungsten hexacarbonyl")
mo("W_03162",45,"M,W;C1965;1976;1983;2308;2317;2345;2356;2376;Mo3224;","C346;349;350;352;356;579;581;584;585;588;781;792;873;889;963;973;1059;1061;1078;1178;1183;1207;1213;1400;1423;1441;1526;1547;CMo709;717;871;1033;1060;1288;1385;1409;","","x","",".MO_03162;")
mo("W_04182",45,"M,W;C2234;2282;2319;2379;2414;S2330;2338;2456;2462;","C336;348;354;367;368;581;583;589;592;605;CS800;808;875;904;938;949;964;968;988;1022;1141;1206;1278;1317;1322;1323;1351;1364;1453;1483;S705;824;835;836;1303;1306;","G.Miessler,L.Taylor,private communication","x","","W(C5H5)(S2C4F6)(C3H6NS2);(CP)-(N,N-dimethyldithiocarbamato)-1,2-bis(trifluoromethyl)ethylene-1,2-dithiolato-tungsten")
mo("F-XEF2",-2,",Xe;F200","180","H.A.Levy,P.A.Agron,JACS,85,241,1963","nd","","XeF2;xenon difluoride")
mo("F-XEO3",-6,",Xe;O176","103","D.H.Templeton,A.Zalkin,J.D.Forrester,S.M.Williamson,JACS,85,817,1963","x","","XeO3;xenon trioxide")
mo("F-XEO4",-8,",Xe;O174","1095","G.Gundersen,K.Hedberg,J.L.Huston,JCP,52,812,1970","ed","","XeO4;xenon tetroxide")
mo("F-XEF4",-9,",Xe;F1953","90;180","J.H.Burns,P.A.Agron,H.A.Levy,Science,139,1208,1963","x","","XeF4;xenon tetrafluoride")
mo("F-XEO2F2",-12,",Xe;O171;F190","OF873;O1057;F171","S.W.Peterson,R.D.Willett,J.L.Huston,JCP,59,453,1973","nd","","XeO2F2;xenon dioxide difluoride")
mo("F-XEO6",-16,",Xe;O1839;1851;1881;1886","874;89;893;907;91;925;926;178;1786;180","J.A.Ibers,W.C.Hamilton,D.R.MacKenzie,IOC,3,1412,1964","x","","XeO64-;perxenate anion")
mo("F-XEF5",-15,",Xe;F179;185","879;899;1758","N.Bartlett,M.Gennis,D.D.Gibler,B.K.Morrell,A.Zalkin,IOC,12,1717,1973","x","","XeF51+;xenon pentafluoride cation")
mo("F-XEOF4",-15,",Xe;O170;F190","899;OF918;F1764","J.F.Martins,E.B.Wilson,J.Mol.Spect.,26,410,1968","x","","XeOF4;xenon oxide tetrafluoride")
mo("XeF5-1",18,",Xe;F1978;2001;2018;2029;2033","715;717;722;723;1437;1438;1439;144;1446",".(CH3)4N","x","SOBWAH","XeF51-;xenon pentafluoride anion")
mo("F-XEF8A",26,",Xe;F1946;1958;1971;2052;2099","727;731;734;747;758;762;768;773;777;1126;1166;1174;1409;1416;1428;1433","S.W.Peterson,J.H.Holloway,B.A.Coyle,J.M.Williams,Science,173,1238,1971","x","","XeF82-;xenon octafluoride anion")
mo("Y_GINROK",-26,"M,Y;Cl2625;2647;O2326;2364;2430;2458;2465;2472","Cl826;ClO752;763;783;801;834;884;1218;1248;1319;1401;1453;1530;O654;659;660;664;723;737;744;782;851;1005;1006;1317;1369;1413;1496","R.D.Rogers,A.N.Rollins,M.M.Benning,'Inorg.Chem. ',27,3826,1988","x","GINROK","(C8H16O4)(H2O)Y(OCH3)Cl21+;aqua-(12-crown-4)-dichloro-(methanolato-O)-yttrium cation")
mo("ycp3-1",-51,",Y;C2614;2615;2633;2634;2663;2664;2682;2694;2696;2703;2742;2793;2805;2858","286;287;294;295;298;301;304;305;306;307;308;311;477;48;486;497;50;503;504;505;506;507;686;709;712;727;733;749;77;78;799;808;842;898;906;934;947;952;957;962;971;974;983;997;999;1001;1022;1048;1051;1073"+";1084;1104;1113;113;1135;1136;1146;1151;1162;1181;1195;120;1202;1205;1207;1211;1225;1238;1242;1244;1246;1258;1271;1273;1277;1286;1297;1355;1404;142;1423;1424;144;1443;1449;1461;1468;1498;150;155;157;1"+"576;1699;1704","M.Adam,U.Behrens,R.D.Fischer,ACC,47,968,1991","x","SIXZEE","Y(C5H5)3;tris(CP)yttrium(III)")
mo("YBFOBTOF",-48,"M,Yb;C2656;2668;2677;2679;2681;2684;2693;2696;2710;2765","C303;304;305;306;307;310;503;504;505;506;507;811;846;860;953;955;960;1004;1005;1069;1123;1146;1154;1156;1195;1221;1228;1235;1259;1295;1299;1338;1341;1372;1445;1446;1453;1457;1461;1496;1536;1560;1630;1643;1731","","x","FOBTOF",".BEFOBTOF;")
mo("ybcp3-1",-51,",Yb;C2581;2584;2599;261;2614;2631;2633;2636;2637;2679;2681;2687;2693;2709","299;301;304;305;306;307;309;311;313;315;316;317;318;501;504;505;506;511;512;513;514;515;516;518;519;702;712;715;718;724;725;802;803;807;831;832;93;937;945;959;96;969;986;991;1007;1014;1021;1023;1025;1"+"034;1037;1042;1068;1113;1116;112;1138;1146;1147;1192;1199;1208;1217;1218;1221;1236;1243;1251;1252;1263;1269;1275;128;1283;1294;1295;1307;1311;1313;1323;1325;1335;1339;1353;1492;1516;1517;1518;1523;154"+"7;1563;1598;1601;1614;1634;1648","S.H.Eggers,J.Kopf,R.D.Fischer,ACC,43,2288,1987","x","FUTSAO","Yb(C5H5)3;tris(CP)ytterbium(III)")
mo("ZNMICSEW",-4,"M,Zn;C2019;2076;2094","C1145;1201;1254","","x","MICSEW",".SRMICSEW;")
mo("1aaysite",8,",Zn;N194;2081;S2215;2377","N1057;SN1069;1079;1096;1115;S1148","(see PDB file)","x","1aay","Zn2+ (enzyme);structural zinc; zinc finger domain; mouse")
mo("1ca2site",8,",Zn;N191;1995;O2087;N2103","1016;1075;ON1079;1127;N1135;ON","(see PDB file)","x","1ca2","Zn2+ (enzyme)~;catalytic zinc; carbonic anhydrase; human")
mo("1ymesite",13,",Zn;N1936;O1945;N2076;O2209;2288","582;ON895;O912;ON986;N1017;ON1018;O115;ON1162;1187;1567","(see PDB file)","x","1yme","Zn2+ (enzyme)~~;catatlytic zinc; carboxypeptidase; bovine")
mo("ZNQUKROD",-22,"M,Zn;O2012;2016;2151;2186;2220;2250;2289","O707;717;724;731;735;847;850;873;881;890;892;893;895;987;991;1424;1433;1437;1440;1443;1754","K.R.Fewings,P.C.Junk,D.Georganopoulou,P.D.Prince,J.W.Steed,'Polyhedron ',20,643,2001","x","QUKROD","(C10H20O5)(H2O)2Zn12+;diaqua-(15-crown-5)-zinc cation")
mo("ZNMEYLUX",-26,"M,Zn;O2203;2209;2211;2241;2260;2288;2319;2407","O714;715;716;726;728;732;734;763;771;785;787;788;796;797;827;1093;1139;1143;1161;1398;1411;1416;1418;1428;1434;1449;1457","P.C.Junk,M.K.Smith,J.W.Steed,'Polyhedron ',20,2979,2001","x","MEYLUX","(C8H16O4)2Zn12+;bis(12-crown-4)-zinc cation")
mo("zrcp2me2-1",-49,"ZRCP2M~1,Zr;C2274;228;249;2498;2507;2522;2528;2534;2537;2538;2542;2553","314;32;321;322;324;521;527;528;529;53;532;534;535;783;785;794;809;824;839;843;852;897;898;908;912;956;1009;1017;1029;1037;109;1098;1106;1107;1148;115;121;1217;1219;1222;1227;1232;1264;1307;1312;1316;1"+"325;1336;1344;1365;1374;1456;1464;1531;1544;1576;1582;1694","W.E.Hunter,D.C.Hrncir,R.V.Bynum,R.A.Penttila,J.L.Atwood,Organometallics,2,750,1983","x","DMZRCA10","Zr(CH3)2(C5H5)2;bis(CP)dimethylzirconium(IV)")
mo("zrcp3-1",-51,",Zr;C2564;2589;259;2591;2592","308;314;32;517;522;527;707;812;813;948;1009;101;1018;1132;120;1223;1224;1267;1268;1303;1315;1316;1519;152;1617","W.W.Lukens,Junior,R.A.Andersen,Organometallics,14,3435,1995","x","ZEPVUL","Zr(C5H5)3;tris(CP)zirconium(III)")