# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-07T10:26:09+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica C (39,1983-)') AND volume = 52 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1001731","8.6233","0.0006","8.6233","0.0006","5.6384","0.0007","90","","90","","90","","419.3","","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","Diammonium oxovanadium(IV) vanadophosphate(V)","","- H8 N2 O8 P V2 -","- H10 N2 O8 P1.02 V1.98 -","- H20 N4 O16 P2.04 V3.96 -","2","0.25","","Boudin, S; Grandin, A; Labbe, P; Raveau, B","(N H4)2 (V O) (V P) O7, a layered structure comprising tetrahedral VP O7 groups","Acta Crystallographica C (39,1983-)","1996","52","","2668","2670","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001767","4.8984","0.0004","8.3919","0.0008","7.034","0.001","90","","109.33","0.01","90","","272.8","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium molybdenum(III) diphosphate","","- Li Mo O7 P2 -","- Li Mo O7 P2 -","- Li2 Mo2 O14 P4 -","2","1","","Ledain, S; Leclaire, A; Borel, M M; Raveau, B","Li Mo P2 O7","Acta Crystallographica C (39,1983-)","1996","52","","1593","1594","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005032","6.201","0.0012","10.511","0.002","10.07","0.002","90","","90","","90","","656.3","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Tribarium digallium nitride","","- Ba3 Ga2 N4 -","- Ba3 Ga2 N4 -","- Ba12 Ga8 N16 -","4","0.5","","Yamane, H; DiSalvo, F J","Ba3 Ga2 N4","Acta Crystallographica C (39,1983-)","1996","52","","760","761","","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2004329","5.311","0.001","9.495","0.001","11.442","0.002","94.13","0.02","93.79","0.02","93.6","0.02","572.92","0.16","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C26 H20 N4 O6 -","2","1","AB1126","Pomés Hernández, R.; Duque Rodríguez, J.; Novoa de Armas, H.; Toscano, R. A.","2-Cyano-<i>N</i>-furfuryl-3-(2-furyl)acrylamide","Acta Crystallographica Section C","1996","52","1","203","205","10.1107/S0108270195008560","","","0.71069","MoKα","","","0.041","","","0.039","","","","","1.17","1.17","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004330","12.981","0.005","14.021","0.004","12.356","0.006","109.81","0.04","117.51","0.03","90.36","0.04","1840.5","1.6","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H80 Cr Fe Mo6 Na2 O40 -","- C48 Co2 Mo6 Na2 O40 -","- C48 Co2 Mo6 Na2 O40 -","1","0.5","AB1128","Liu, H.; Xu, L.; Huang, J.; Chen, W.; Zhang, Q.","A Novel Octanuclear Mixed-Metal Cluster: Na~2~[Cr~0.5~Fe~0.5~Mo~3~O~4~(O~2~CEt)~8~]~2~","Acta Crystallographica Section C","1996","52","1","69","72","10.1107/S0108270195002927","","","0.71076","MoKα","","","0.056","","","0.064","","","","","1.09","1.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004331","8.653","0.002","20.225","0.004","14.724","0.003","90","","90","","90","","2576.8","0.9","293","2","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H9 Cl2 N O4 -","- C14 H9 Cl2 N O4 -","- C112 H72 Cl16 N8 O32 -","8","1","AB1148","Novoa de Armas, H.; Pomés Hernández, R.; Duque Rodríguez, J.; Toscano, R. A.","4,4'-Dichloro-2,2'-iminodibenzoic Acid","Acta Crystallographica Section C","1996","52","1","166","168","10.1107/S0108270195008572","","","1.54178","CuKα","","","0.056","","","0.0747","","","","","1.68","1.68","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004332","9.929","0.002","8.75","0.002","11.23","0.002","90","","107.21","0.02","90","","932","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4'S)-2-(Benzyl-oxazolidine-2'-one-3'carbonyl)-3-phenylacrylic acid methyl ester","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C42 H38 N2 O10 -","2","1","AB1277","Pohl, E.; Schünke, C.; Tietze, L. F.","(2<i>E</i>,4'<i>S</i>)-2-(4'-Benzyl-2'-oxo-3'-oxazolidinylcarbonyl)-3-phenylacrylic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","1","246","248","10.1107/S0108270195010730","","","0.71073","MoKα","","0.0298","0.0287","","0.0704","0.0693","","","","1.058","1.058","1.058","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004333","12.799","0.005","12.969","0.009","7.885","0.004","90","","99.01","0.04","90","","1292.7","1.2","293","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H26 N6 O20 U2 -","- C12 H40 N8 O20 U2 -","- C24 H80 N16 O40 U4 -","2","0.25","AB1283","Hämäläinen, R.; Turpeinen, U.; Mutikainen, I.","Di-μ-aqua-bis[bis(nitrato-<i>O</i>,<i>O</i>')dioxouranium(VI)] Bis(2-dimethylaminoethanol)","Acta Crystallographica Section C","1996","52","1","16","17","10.1107/S0108270195009255","","","0.71069","MoKα","","","0.057","","","0.062","","","","","2.04","2.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004334","12.848","0.004","6.356","0.003","12.391","0.004","90","","113.48","0.05","90","","928.1","0.7","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N S2 -","- C7 H13 N S2 -","- C28 H52 N4 S8 -","4","1","AB1284","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","5-<i>tert</i>-Butylthiazolidine-2-thione and 5-Phenylthiazolidine-2-thione","Acta Crystallographica Section C","1996","52","1","215","218","10.1107/S0108270195010699","","","0.71073","MoKα","","","0.05","","","0.0486","","","","","0.91","0.91","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004335","10.48","0.003","8.926","0.003","19.503","0.006","90","","90","","90","","1824.4","1","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N S2 -","- C9 H9 N S2 -","- C72 H72 N8 S16 -","8","1","AB1284","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","5-<i>tert</i>-Butylthiazolidine-2-thione and 5-Phenylthiazolidine-2-thione","Acta Crystallographica Section C","1996","52","1","215","218","10.1107/S0108270195010699","","","0.71073","MoKα","","","0.038","","","0.04","","","","","1.223","1.223","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004336","18.028","0.002","18.173","0.003","18.856","0.003","90","","113.985","0.011","90","","5644.2","1.5","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Racemic cis-dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV)","","- C22 H38 Cl2 O4 Ti -","- C22 H38 Cl2 O4 Ti -","- C176 H304 Cl16 O32 Ti8 -","8","2","AB1297","Glidewell, C.; Turner, G. M.; Ferguson, G.","Racemic <i>cis</i>-Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)titanium(IV)","Acta Crystallographica Section C","1996","52","1","11","14","10.1107/S0108270195012224","","","0.7107","MolybdenumKα","","0.2081","0.065","","0.2157","0.1796","","","","0.884","1.376","1.376","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004337","8.7777","0.0007","16.8264","0.0018","11.3773","0.0009","90","","93.077","0.007","90","","1678","0.3","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Dimethylamino-2-methoxy-3-methyl-6-[1,2-(Z)-dicarbomethoxyvinyl]amino pyrimidin-4-(3H)-one","","- C14 H20 N4 O6 -","- C14 H20 N4 O6 -","- C56 H80 N16 O24 -","4","1","AB1307","Low, J. N.; Ferguson, G.; Cobo, J.; Nogueras, M.; Sánchez, A.","6-[1,2-(<i>Z</i>)-Bis(methoxycarbonyl)vinyl]amino-5-dimethylamino-2-methoxy-3-methyl-4(3<i>H</i>)-pyrimidinone","Acta Crystallographica Section C","1996","52","1","254","256","10.1107/S0108270195012613","","","0.7107","MoKα","","0.0607","0.0386","","0.1169","0.1098","","","","1.058","1.197","1.197","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004338","7.2245","0.0015","8.7974","0.0013","9.181","0.002","81.627","0.013","80.521","0.013","76.58","0.015","556.31","0.19","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","2-amino-4,5-dicarbomethoxy-6-methoxypyridine","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C20 H24 N4 O10 -","2","1","AB1308","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.","2-Amino-6-methoxy-4,5-di(methoxycarbonyl)pyridine and 2-Amino-4,5-di(methoxycarbonyl)-6-methylthiopyridine","Acta Crystallographica Section C","1996","52","1","143","145","10.1107/S0108270195012601","","","0.7107","MoKα","","0.0626","0.0468","","0.1408","0.1335","","","","1.127","1.246","1.246","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004339","8.072","0.001","8.6448","0.0014","8.99","0.002","94.35","0.02","111.133","0.013","91.703","0.013","582.35","0.18","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","2-amino-4,5-dicarbomethoxy-6-methylthiopyridine","","- C10 H12 N2 O4 S -","- C10 H12 N2 O4 S -","- C20 H24 N4 O8 S2 -","2","1","AB1308","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.","2-Amino-6-methoxy-4,5-di(methoxycarbonyl)pyridine and 2-Amino-4,5-di(methoxycarbonyl)-6-methylthiopyridine","Acta Crystallographica Section C","1996","52","1","143","145","10.1107/S0108270195012601","","","0.7107","MoKα","","0.0424","0.0347","","0.0959","0.0922","","","","1.033","1.091","1.091","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004340","6.9874","0.0004","10.647","0.002","27.0341","0.0016","90","","90","","90","","2011.2","0.4","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-methylthio-5-nitroso-6-N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino- pyrimidin-4-(3H)-one","","- C16 H20 N4 O9 S -","- C16 H20 N4 O9 S -","- C64 H80 N16 O36 S4 -","4","1","AB1309","Cobo, J.; Melguizo, M.; Sánchez, A.; Nogueras, M.; Low, J. N.; Ferguson, G.","2-Methylthio-5-nitroso-6-<i>N</i>-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)amino-4(3<i>H</i>)-pyrimidinone","Acta Crystallographica Section C","1996","52","1","148","150","10.1107/S0108270195012595","","","0.7107","MoKα","","0.1538","0.0575","","0.1967","0.1578","","","","0.913","1.198","1.198","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004341","7.8019","0.001","15.889","0.002","10.202","0.002","90","","96.24","0.02","90","","1257.2","0.3","294","1","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino-4,5-dicarbomethoxy-6-methoxy- pyridine","","- C21 H26 N2 O12 -","- C21 H26 N2 O12 -","- C42 H52 N4 O24 -","2","1","AB1310","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.","6-Methoxy-4,5-di(methoxycarbonyl)-2-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)aminopyridine and 4,5-Di(methoxycarbonyl)-6-methylthio-2-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)aminopyridine","Acta Crystallographica Section C","1996","52","1","145","148","10.1107/S0108270195012583","","","0.7107","MoKα","","0.0747","0.0417","","0.1028","0.0932","","","","1.009","1.18","1.18","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004342","7.8583","0.0009","15.842","0.002","10.368","0.002","90","","94.047","0.014","90","","1287.5","0.3","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino-4,5-dicarbomethoxy-6- methylthiopyridine","","- C21 H26 N2 O11 S -","- C21 H26 N2 O11 S -","- C42 H52 N4 O22 S2 -","2","1","AB1310","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sánchez, A.","6-Methoxy-4,5-di(methoxycarbonyl)-2-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)aminopyridine and 4,5-Di(methoxycarbonyl)-6-methylthio-2-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)aminopyridine","Acta Crystallographica Section C","1996","52","1","145","148","10.1107/S0108270195012583","","","0.7107","MoKα","","0.0786","0.0459","","0.1131","0.1032","","","","0.993","1.161","1.161","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004343","4.6528","0.0006","8.98","0.0009","20.5944","0.0014","90","","91.752","0.008","90","","860.08","0.15","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Amino-1-methyl-5-hydroxoiminomethyluracil Hydrate","","- C6 H10 N4 O4 -","- C6 H10 N4 O4 -","- C24 H40 N16 O16 -","4","1","AB1318","Low, J. N.; Whyte, E. R.; Ferguson, G.; Moreno-Carretero, M. N.; Hueso-Ureña, F.","6-Amino-5-hydroxyiminomethyl-1-methyluracil Hydrate","Acta Crystallographica Section C","1996","52","1","170","172","10.1107/S0108270195013229","","","0.7107","MoKα","","0.0977","0.0453","","0.1159","0.102","","","","0.968","1.152","1.152","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004344","10.3023","0.0009","6.6712","0.0007","33.0305","0.0004","90","","95.489","0.008","90","","2259.7","0.3","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1:1 mixture of N,N'-bis(trans-2-phenyl-5-hydroxymethyl-1,3-dioxan-5- yl)ethanediamide and N,N'-bis(cis-2-phenyl-5-hydroxymethyl-1,3-dioxan-5- yl)ethanediamide","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C96 H112 N8 O32 -","4","1","AB1322","Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G.","Co-Crystallization of Stereoisomers of <i>N</i>,<i>N</i>'-Bis(2-phenyl-5-hydroxymethyl-1,3-dioxan-5-yl)ethanediamide","Acta Crystallographica Section C","1996","52","1","228","231","10.1107/S0108270195014478","","","0.7107","MolybdenumKα","","0.1013","0.0423","","0.1075","0.0941","","","","0.933","1.126","1.126","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004345","6.2996","0.0011","31.207","0.0012","6.378","0.003","90","","110.57","0.02","90","","1173.9","0.6","294","1","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(trans-2-phenyl-5-hydroxymethyl-1,3-dioxan-5-yl)ethanediamide","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C48 H56 N4 O16 -","2","0.5","AB1322","Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G.","Co-Crystallization of Stereoisomers of <i>N</i>,<i>N</i>'-Bis(2-phenyl-5-hydroxymethyl-1,3-dioxan-5-yl)ethanediamide","Acta Crystallographica Section C","1996","52","1","228","231","10.1107/S0108270195014478","","","0.7107","MolybdenumKα","","0.1309","0.0517","","0.1568","0.1162","","","","0.909","1.107","1.107","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004346","7.307","0.002","12.327","0.001","12.33","0.003","90","","100.12","0.01","90","","1093.3","0.4","298","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H9 N5 O5 -","- C9 H9 N5 O5 -","- C36 H36 N20 O20 -","4","1","AS1156","Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.","Molecular Co-Crystals of Carboxylic Acids. 23. The 1:1 Adducts of 3-Amino-1<i>H</i>-1,2,4-triazole with 5-Nitrosalicylic Acid and 3,5-Dinitrosalicylic Acid","Acta Crystallographica Section C","1996","52","1","231","235","10.1107/S0108270195010602","","","0.71073","MoKα","","","0.035","","","0.091","","","","","1.05","1.05","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004347","24.07","0.005","4.332","0.003","11.8298","0.0005","90","","90","","90","","1233.5","0.9","298","2","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H8 N6 O7 -","- C9 H8 N6 O7 -","- C36 H32 N24 O28 -","4","1","AS1156","Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.","Molecular Co-Crystals of Carboxylic Acids. 23. The 1:1 Adducts of 3-Amino-1<i>H</i>-1,2,4-triazole with 5-Nitrosalicylic Acid and 3,5-Dinitrosalicylic Acid","Acta Crystallographica Section C","1996","52","1","231","235","10.1107/S0108270195010602","","","0.71073","MoKα","","","0.037","","","0.087","","","","","0.98","0.98","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004348","10.224","0.001","14.7","0.002","13.069","0.003","90","","103.63","0.02","90","","1908.9","0.6","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cu2 I2 N6 -","- C14 H16 Cu2 I2 N6 -","- C56 H64 Cu8 I8 N24 -","4","1","AS1186","Sheu, S.-C.; Lee, G.-H.; Ho, T.-I.; Lin, Y.-C.; Peng, S.-M.","A Polymeric Cu^I^ Complex of Bis(1-pyrazolylmethyl)(2-pyridylmethyl)amine (BPPA), [Cu~2~(μ-BPPA)(μ-I)~2~]~<i>n~</i>","Acta Crystallographica Section C","1996","52","1","56","59","10.1107/S0108270195009565","","","0.71073","MoKα","","","0.029","","","0.026","","","","","2.89","2.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004349","7.242","0.007","14.634","0.004","13.772","0.005","90","","97.89","0.07","90","","1445.7","1.6","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Al N -","- C16 H18 Al N -","- C64 H72 Al4 N4 -","4","1","AS1192","Wang, X.-M.; Sun, H.-S.; Wang, S.-X.; Huang, X.-Y.; You, X.-Z.","Adduct of AlMe~3~ with Benzo[<i>f</i>]quinoline","Acta Crystallographica Section C","1996","52","1","35","37","10.1107/S0108270195009681","","","0.71069","MoKα","","","0.064","","","0.073","","","","","2.11","2.11","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2004350","9.451","0.003","11.916","0.002","23.938","0.007","90","","90","","90","","2695.9","1.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(orthochlorophenyl) thiourea.","","- C13 H10 Cl2 N2 S -","- C13 H10 Cl2 N2 S -","- C104 H80 Cl16 N16 S8 -","8","2","AS1197","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","1,3-Bis(2-chlorophenyl)thiourea","Acta Crystallographica Section C","1996","52","1","134","136","10.1107/S0108270195009693","","","0.71073","MoKα","","0.061","0.0449","","0.1162","0.1092","","","","0.964","1.03","1.03","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004351","16.216","0.003","16.216","0.003","16.216","0.003","90","","90","","90","","4264.1","1.4","170","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","","","","","- C14 H37 Co P4 -","- C14 H37 Co P4 -","- C112 H296 Co8 P32 -","8","0.333333","BK1075","Stringer, G.; Taylor, N. J.; Marder, T. B.","Ethynyltetrakis(trimethylphosphine)cobalt(I), [Co(CCH){P(CH~3~)~3~}~4~]","Acta Crystallographica Section C","1996","52","1","80","82","10.1107/S0108270195010304","","","0.71073","MoKα","","","0.0349","","","0.0331","","","","","1.41","1.41","","","","","has coordinates","281832","2023-03-13","07:41:56",""
"2004352","6.132","0.005","13.956","0.018","5.507","0.009","90","","103.2","0.1","90","","458.8","1","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 N2 O6 V2 -","- C4 H12 N2 O6 V2 -","- C8 H24 N4 O12 V4 -","2","0.5","BK1134","Tyrselová, J.; Kuchta, L.; Pavelcík, F.","Piperazine Metavanadate","Acta Crystallographica Section C","1996","52","1","17","19","10.1107/S010827019500850X","","","0.71069","MoKα","","","0.034","","","0.0861","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004353","18.148","0.002","10.424","0.002","12.115","0.002","90","","90.15","0.02","90","","2291.8","0.6","223","5","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3,3-dimethylglutaronitrile","1,5-dicyano-3,3-dimethylpentane","","- C7 H10 N2 -","- C7 H10 N2 -","- C84 H120 N24 -","12","1.5","BK1139","Héroux, A.; Brisse, F.","3,3-Dimethylglutaronitrile","Acta Crystallographica Section C","1996","52","1","224","226","10.1107/S0108270195011814","","","1.5418","CuKα","","0.0517","0.043","","0.1215","0.1168","","","","1.065","1.136","1.136","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004354","6.5104","0.0018","12.812","0.003","13.48","0.002","90","","98.09","0.02","90","","1113.2","0.4","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","4-acetoxy-3(2'3'-epoxy-2'-methylbutyroyloxy)cuauhtemone","Rel-1S,2R,4aS,2'S,3'S-1-acetoxy-2-(2',3'-epoxy-2'- methylbutyroyloxy)-7-isopropylidene-1,4a-dimethyl-6-decalone","","- C22 H32 O6 -","- C22 H32 O6 -","- C44 H64 O12 -","2","1","BK1143","Ahmed, A. A.; Ali, B. A.; Krawiec, M.; Watson, W. H.","5-<i>O</i>-Acetylcuauhtemonyl 6-<i>O</i>-2',3'-Epoxy-2'-methylbutyrate","Acta Crystallographica Section C","1996","52","1","235","237","10.1107/S0108270195013424","","","1.54178","CuKα","","","0.0666","","","0.0631","","","","","3.21","3.21","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004355","29.321","0.023","18.671","0.017","4.693","0.003","90","","90","","90","","2569","3","220","2","220","2","","","","","","","","5","P n a 21","P 2c -2n","33","","6-(3-methoxyphenyl)-4-methylthio-2-oxo-2H-1-pyran-3-carbonitrile","","- C14 H11 N O3 S -","- C14 H11 N O3 S -","- C112 H88 N8 O24 S8 -","8","2","BM1028","Kumar, A.; Kumar, N.; Parmar, V. S.; Errington, W.","3-Cyano-6-(3-methoxyphenyl)-4-methylthio-2-pyranone","Acta Crystallographica Section C","1996","52","1","127","129","10.1107/S010827019500967X","","","0.71073","MoKα","","0.0831","0.0513","","0.1666","0.118","","","","1.105","1.105","1.105","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004356","6.16","0.004","16.172","0.006","17.307","0.007","90","","90","","90","","1724.1","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propandiamine","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","BM1029","Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propanediamine","Acta Crystallographica Section C","1996","52","1","125","127","10.1107/S0108270195009917","","","0.71073","MoKα","","0.1045","0.0378","","0.0773","0.064","","","","0.657","0.895","0.895","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004357","5.392","0.002","67.18","0.08","5.374","0.003","90","","90","","90","","1947","3","288","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C36 H76 Br N -","- C36 H76 Br N -","- C72 H152 Br2 N2 -","2","0.5","BM1031","Nyburg, S. C.","Di-<i>n</i>-octadecylammonium Bromide","Acta Crystallographica Section C","1996","52","1","192","194","10.1107/S0108270195012777","","","1.54184","CuKα","","","0.109","","","0.114","","","","","8.22","8.22","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004358","13.801","0.001","10.491","0.001","11.795","0.001","90","","105.03","0.01","90","","1649.3","0.3","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","Phenyl-(2-trimethylsilylethynyl)phenylmethanone","","- C18 H18 O Si -","- C18 H18 O Si -","- C72 H72 O4 Si4 -","4","1","BM1032","Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R.","Phenyl 2-(Trimethylsilylethynyl)phenyl Ketone and 2-(Trimethylsilylethynyl)benzaldehyde","Acta Crystallographica Section C","1996","52","1","259","262","10.1107/S0108270195011243","","","0.71073","MoKα","","","0.056","","","0.046","","","","","1.628","1.628","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004359","7.1006","0.0005","16.88","0.002","10.1754","0.0005","90","","90","","90","","1219.6","0.18","297","","","","","","","","","","","4","I m a 2","","","","(2-trimethylsilylethynyl)-benzaldehyde","","- C12 H14 O Si -","- C12 H14 O Si -","- C48 H56 O4 Si4 -","4","0.5","BM1032","Garcia, J. G.; Ramos, B.; Rodriguez, A.; Fronczek, F. R.","Phenyl 2-(Trimethylsilylethynyl)phenyl Ketone and 2-(Trimethylsilylethynyl)benzaldehyde","Acta Crystallographica Section C","1996","52","1","259","262","10.1107/S0108270195011243","","","1.54184","CuKα","","","0.032","","","0.043","","","","","2.289","2.289","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004360","9.006","0.002","9.655","0.003","12.468","0.003","97.16","0.02","97.22","0.02","97.22","0.02","1056.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(Benzo[a]phenazin-5-yl)-2-acetyloxynaphthalene","","- C28 H18 N2 O2 -","- C28 H18 N2 O2 -","- C56 H36 N4 O4 -","2","1","BM1035","McKee, V.; McCann, M.; Connaughton, N. C.; Kennedy, M. G.","1-(Benzo[<i>a</i>]phenazin-5-yl)-2-acetyloxy-naphthalene, C~28~H~18~N~2~O~2~","Acta Crystallographica Section C","1996","52","1","222","224","10.1107/S0108270195014028","","","0.71073","MoKα","","0.1268","0.0599","","0.1633","0.1273","","","","1.044","1.164","1.164","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004361","11.7739","0.0013","11.7739","0.0013","11.7739","0.0013","90","","90","","90","","1632.2","0.3","293","","293","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- C8 H12 Li N5 Zn -","- C8 H12 Li N5 Zn -","- C32 H48 Li4 N20 Zn4 -","4","0.0416667","BR1114","Bu, X.; Gier, T. E.; Stucky, G. D.","Tetramethylammonium Lithium Zinc Cyanide, [N(CH~3~)~4~]LiZn(CN)~4~","Acta Crystallographica Section C","1996","52","1","14","16","10.1107/S0108270195009176","","","0.7093","MolybdenumKα","","0.031","0.031","","0.033","0.033","","","","","3.05","3.05","","","","","has coordinates","198643","2020-10-21","18:00:00",""
"2004362","7.4251","0.0008","12.79","0.003","13.723","0.002","90","","90","","90","","1303.2","0.4","292","","292","","","","","","","","","6","C m c m","-C 2c 2","63","Neodymium cobalt hexacyanide tetrahydrate","Neodymium hexacyanocobaltate (III) tetrahydrate","","- C6 H8 Co N6 Nd O4 -","- C6 Co N6 Nd O4 -","- C24 Co4 N24 Nd4 O16 -","4","0.25","BR1115","Mullica, D. F.; Hayward, P. K.; Sappenfield, E. L.","Neodymium Hexacyanocobaltate(III) Tetrahydrate","Acta Crystallographica Section C","1996","52","1","61","63","10.1107/S0108270195010316","","","0.71073","MoKα","","0.024","0.022","","0.214","0.038","","","","","1.301","1.301","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004363","13.184","0.002","9.077","0.002","17.75","0.004","90","","91.98","0.01","90","","2122.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Hexyl-N-phenyl-2-(5-ethylthioindole)carboxamide","","- C23 H28 N2 O S -","- C23 H28 N2 O S -","- C92 H112 N8 O4 S4 -","4","1","CF1000","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, C.; Caubère, P.","<i>N</i>-Hexyl-<i>N</i>-phenyl-5-ethylthioindole-2-carboxamide","Acta Crystallographica Section C","1996","52","1","197","199","10.1107/S0108270195007414","","","1.54178","CuKα","","0.1866","0.0636","","0.2605","0.1629","","","","1.004","1.258","1.258","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:25",""
"2004364","12.0031","0.001","19.527","0.003","13.953","0.002","90","","102.3","0.009","90","","3195.3","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-Bis[penta(phenylthio)phenyl]ethane","","- C74 H54 S10 -","- C74 H54 S10 -","- C148 H108 S20 -","2","0.5","CF1010","Henderson, R. K.; MacNicol, D. D.; Rowan, S. J.","1,2-Bis[2,3,4,5,6-pentakis(phenylthio)phenyl]ethane","Acta Crystallographica Section C","1996","52","1","210","212","10.1107/S0108270195012716","","","0.71073","MoKα","","0.2186","0.0609","","0.1877","0.1296","","","","0.998","1.136","1.136","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004365","10.6896","0.0009","11.9963","0.0009","18.399","0.002","90","","98.748","0.008","90","","2332","0.4","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cyclopentadienyl(phenylthiolato)bis(t-butylisocyanide)carbonylmolybdenum(II)","","- C22 H28 Mo N2 O S -","- C22 H28 Mo N2 O S -","- C88 H112 Mo4 N8 O4 S4 -","4","1","CF1015","McDermott, L. C.; Muir, K. W.; Pétillon, F. Y.; Poder-Guillou, S.; Schollhammer, P.","<i>cis</i>-(Benzenethiolato)bis(<i>tert</i>-butyl isocyanide)carbonyl(cyclopentadienyl)molybdenum(II), [Mo(C~6~H~5~S)(C~5~H~9~N)~2~(C~5~H~5~)(CO)]","Acta Crystallographica Section C","1996","52","1","74","77","10.1107/S0108270195009486","","","0.71073","MoKα","","0.1061","0.0522","","0.1117","0.092","","","","1.009","1.064","1.064","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004366","25.4909","0.0004","14.586","0.0012","7.4","0.002","90","","90","","90","","2751.4","0.8","150","","150","","","","","","","","","2","P n a 21","P 2c -2n","33","triphenylmethane","","","- C19 H16 -","- C19 H16 -","- C152 H128 -","8","2","CF1020","Veldman, N.; Spek, A. L.; Schlotter, J. J. H.; Zwikker, J. W.; Jenneskens, L. W.","Low-Temperature Triphenylmethane","Acta Crystallographica Section C","1996","52","1","174","177","10.1107/S0108270195011164","","","0.71073","MoKα","","0.129","0.054","","","0.129","","","","0.971","0.971","0.971","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004367","9.2634","0.001","13.9834","0.0014","14.2332","0.0012","90","","90.701","0.011","90","","1843.5","0.3","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Tetracarbonylbis(tri-t-butyl phosphite)molybdenum(0)","","- C28 H54 Mo O10 P2 -","- C28 H54 Mo O10 P2 -","- C56 H108 Mo2 O20 P4 -","2","0.5","CF1022","Alyea, E. C.; Ferguson, G.; Song, S.-Q.","<i>trans</i>-Tetracarbonylbis(tri-<i>tert</i>-butyl phosphite)molybdenum(0)","Acta Crystallographica Section C","1996","52","1","66","69","10.1107/S0108270195007803","","","0.7107","MoKα","","0.0607","0.0388","","0.1059","0.0992","","","","1.034","1.141","1.141","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004368","9.8502","0.0011","20.462","0.002","9.2056","0.0012","90","","90","","90","","1855.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Cyano-2-methylsparteine perchlorate","","- C17 H28 Cl N3 O4 -","- C17 H28 Cl N3 O4 -","- C68 H112 Cl4 N12 O16 -","4","1","CF1028","Kubicki, M.; Borowiak, T.; Boczoń, Wł.","2-Cyano-2-methylsparteine Perchlorate","Acta Crystallographica Section C","1996","52","1","226","228","10.1107/S0108270195011231","","","1.54178","CuKα","","0.055","0.055","","0.148","0.148","","","","1.055","1.055","1.055","","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:25",""
"2004369","22.162","0.017","5.565","0.004","10.57","0.011","90","","109.33","0.07","90","","1230.1","1.9","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-nitro-2-furan carboxylic acid","","- C5 H3 N O5 -","- C5 H3 N O5 -","- C40 H24 N8 O40 -","8","1","CF1029","Alcock, N. W.; Errington, W.; Kemp, T. J.; Leciejewicz, J.","5-Nitro-2-furancarboxylic Acid","Acta Crystallographica Section C","1996","52","1","188","189","10.1107/S0108270195012789","","","0.71073","MoKα","","0.0429","0.0355","","0.0958","0.0897","","","","1.05","1.071","1.071","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:25",""
"2004370","14.341","0.005","12.451","0.007","23.866","0.013","90","","90","","90","","4262","4","293","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C29 H72 Cl2 Cu3 N8 O5 -","- C30 H76 Cl2 Cu3 N8 O6 -","- C120 H304 Cl8 Cu12 N32 O24 -","4","0.5","CF1030","Wang, S.","Cu~3~(bdmap)~4~Cl~2~(CH~3~OH), bdmap = 1,3-Bis(dimethylamino)-2-propanolato. A Clamp-Shaped Molecule","Acta Crystallographica Section C","1996","52","1","41","43","10.1107/S0108270195009462","","","0.71073","MoKα","","","0.068","","","0.052","","","","","2.42","2.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004371","8.269","0.004","11.31","0.005","12.332","0.005","92.45","0.03","95.02","0.03","105.78","0.04","1102.9","0.9","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","catena-{1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane-S,S'-mercury(II)- bis(μ-chloro)-mercury(II)dichloride}","","- C12 H24 Cl4 Hg2 O4 S2 -","- C12 H24 Cl4 Hg2 O4 S2 -","- C24 H48 Cl8 Hg4 O8 S4 -","2","1","CF1033","Blake, A. J.; Parsons, S.; Radek, C.; Schröder, M.","<i>catena</i>-{[HgCl~2~([18]aneS~2~O~4~)]HgCl~2~} at 150K: a Redetermination and Reinterpretation","Acta Crystallographica Section C","1996","52","1","21","24","10.1107/S0108270195008717","","","0.71073","MoKα","","0.0375","0.0342","","0.0933","0.0871","","","","1.109","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004372","12.525","0.003","8.49","0.002","15.697","0.006","90","","104.19","0.03","90","","1618.2","0.9","299","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","CR1175","Gi, H.-J.; Wang, T.; Zhao, K.","1β-(4-Methoxybenzyl)-8α-vinyl-7-oxabicyclo[4.3.0]nonan-6β-ol","Acta Crystallographica Section C","1996","52","1","186","187","10.1107/S0108270195008225","","","0.71073","MoKα","","","0.057","","","0.061","","","","","5.7","5.7","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004373","7.0549","0.001","12.4741","0.001","14.1928","0.001","90","","90","","90","","1249","0.2","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C48 H44 N12 O20 -","4","1","CR1177","Moreno Fuquen, R.; De Almeida Santos, R. H.; Lechat, J. R.","The 1:1 Complex Formed by 4-Nitropyridine <i>N</i>-Oxide and 4-Aminobenzoic Acid","Acta Crystallographica Section C","1996","52","1","220","222","10.1107/S0108270195010262","","","0.71073","MoKα","","0.0665","0.0448","","0.131","0.1134","","","","1.83","1.796","1.796","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004374","9.302","0.0008","14.08","0.001","14.1587","0.0012","90","","90","","90","","1854.4","0.3","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-O-Acetyl-7,8-dihydromorphine-6-O-sulfate","","- C19 H23 N O7 S -","- C19 H23 N O7 S -","- C76 H92 N4 O28 S4 -","4","1","CR1191","Brock, C. P.; Kottayil, S.; Butterfield, D. A.; Crooks, P. A.","A Dihydromorphine-6-<i>O</i>-sulfate","Acta Crystallographica Section C","1996","52","1","122","125","10.1107/S0108270195010250","","","0.71073","MoKα","","0.1287","0.0419","","0.1224","0.0994","","","","1.007","1.163","1.163","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004375","7.179","0.0004","7.819","0.0004","17.987","0.002","90","","92.44","0.01","90","","1008.74","0.14","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","1-Bromo-2,7-dimethylnaphthalene","","- C12 H11 Br -","- C12 H11 Br -","- C48 H44 Br4 -","4","1","CR1195","Brown, L. A.; Laxman, R. K.; Maverick, A. W.; Fronczek, F. R.","1-Bromo-2,7-dimethylnaphthalene","Acta Crystallographica Section C","1996","52","1","95","97","10.1107/S0108270195010274","","","0.71073","MoKα","","","0.058","","","0.042","","","","","1.657","1.657","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004376","17.649","0.003","16.428","0.001","18.743","0.003","90","","106.636","0.007","90","","5206.8","1.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium bis(dimethyldithiocarbamyl)acetate","","- C20 H37 N3 O2 S4 -","- C20 H37 N3 O2 S4 -","- C160 H296 N24 O16 S32 -","8","2","DE1009","Ng, S. W.","Dicyclohexylammonium Bis(dimethyldithiocarbamyl)acetate","Acta Crystallographica Section C","1996","52","1","181","183","10.1107/S0108270195011279","","","0.71073","MoKα","","0.0764","0.0462","","0.1225","0.1055","","","","1.015","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004379","8.641","0.004","21.921","0.004","16.298","0.004","90","","97.67","0.03","90","","3059.5","1.7","296","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Ag2 N4 O S8 W2 -","- C12 H36 Ag2 N4 O S8 W2 -","- C48 H144 Ag8 N16 O4 S32 W8 -","4","0.5","FG1066","Huang, Q.; Wu, X.; Sheng, T.; Wang, Q.","The Polymeric Cluster Compound [(tmenH~2~).(W~2~Ag~2~S~8~).(tmen).(H~2~O)]~<i>n~</i> (tmen = <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine)","Acta Crystallographica Section C","1996","52","1","29","31","10.1107/S0108270195009000","","","0.71073","MoKα","","","0.053","","","0.054","","","","","1.44","1.44","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2004380","8.848","0.004","10.77","0.005","11.335","0.006","100.27","0.02","101.96","0.02","113.93","0.02","923.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dicarbonyl(1,10-phenanthroline)[(1,2,3-η)-2-propenyl]molybdenum Trifluoroacetate","","- C19 H13 F3 Mo N2 O4 -","- C19 H13 F3 Mo N2 O4 -","- C38 H26 F6 Mo2 N4 O8 -","2","1","FG1067","Eriksson, L.; Sjögren, M. P. T.; Åkermark, B.","(η^3^-Allyl)dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (I), and [<i>syn</i>(1,2,3-η)-2-Butenyl]dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (II)","Acta Crystallographica Section C","1996","52","1","77","80","10.1107/S0108270195009425","","","0.7106","MoKα","","0.0366","0.0302","","0.0744","0.0715","","","","1.042","1.072","1.072","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004381","20.191","0.009","7.009","0.003","28.944","0.017","90","","109.4","0.02","90","","3864","3","293","2","293","2","","","","","","","","6","A 1 2/n 1","-A 2yab","15","","Dicarbonyl(1,10-phenantroline)[syn-(1,2,3-η)-2-butenyl]molybdenum Trifluoroacetate","","- C20 H15 F3 Mo N2 O4 -","- C20 H15 F3 Mo N2 O4 -","- C160 H120 F24 Mo8 N16 O32 -","8","1","FG1067","Eriksson, L.; Sjögren, M. P. T.; Åkermark, B.","(η^3^-Allyl)dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (I), and [<i>syn</i>(1,2,3-η)-2-Butenyl]dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (II)","Acta Crystallographica Section C","1996","52","1","77","80","10.1107/S0108270195009425","","","0.7106","MoKα","","0.1339","0.0697","","0.0905","0.0791","","","","1.034","1.191","1.191","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004382","20.275","0.006","17.006","0.004","11.038","0.004","90","","90","","90","","3806","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(dl)-Pheniramine hydrogen maleate","","","- C20 H2 N O4 -","- C20 H24 N2 O4 -","- C160 H192 N16 O32 -","8","1","FG1077","Parvez, M.; Rusiewicz, M.","<small>DL</small>-Pheniramine Hydrogen Maleate","Acta Crystallographica Section C","1996","52","1","83","85","10.1107/S010827019501047X","","","0.71069","MoKα","","","0.069","","","0.069","","","","","2.64","2.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004383","15.915","0.002","10.777","0.002","14.387","0.002","90","","92.681","0.012","90","","2464.9","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetato)bis(pyridine-2-amidoxime-N,N')nickel(II) - Ethanol (1/2)","","- C20 H32 N6 Ni O8 -","- C20 H32 N6 Ni O8 -","- C80 H128 N24 Ni4 O32 -","4","0.5","FG1090","Werner, M.; Berner, J.; Jones, P. G.","Bis(acetato)bis(pyridine-2-amidoxime-<i>N</i>,<i>N</i>')nickel(II)–Ethanol (1/2)","Acta Crystallographica Section C","1996","52","1","72","74","10.1107/S0108270195009413","","","0.71073","MoKα","","0.0686","0.0454","","0.1002","0.0899","","","","1.042","1.071","1.071","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004384","8.016","0.001","11.552","0.001","14.409","0.002","90","","90","","90","","1334.3","0.3","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 N2 O3 -","- C12 H20 N2 O3 -","- C48 H80 N8 O12 -","4","1","HA1110","Charalambous, J.; Thomas, T. A.; Carugo, O.; Castellani, C. B.","5-Hexylamino-1,2-benzoquinone 2-Oxime Monohydrate","Acta Crystallographica Section C","1996","52","1","150","152","10.1107/S0108270195003696","","","1.54184","CuKα","","","0.046","","","0.023","","","","","1.12","1.12","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004385","9.7749","0.0014","16.821","0.003","15.293","0.002","90","","99.501","0.014","90","","2480","0.7","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Potassium-dibenzo[18]crown-6 triiodide","[(dibenzo[b,k][1,4,7,10,13,16]hexaoxa-cyclooctadeca-2,11-diene)potassium] triiodide","","- C20 H24 I3 K O6 -","- C20 H24 I3 K O6 -","- C80 H96 I12 K4 O24 -","4","1","HA1143","Blake, A. J.; Gould, R. O.; Parsons, S.; Radek, C.; Schröder, M.","Potassium Dibenzo-18-crown-6 Triiodide","Acta Crystallographica Section C","1996","52","1","24","27","10.1107/S0108270195010626","","","0.71073","MoKα","","0.0543","0.0419","","0.1159","0.1056","","","","1.046","1.084","1.084","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:25",""
"2004386","8.446","0.003","23.76","0.08","10.454","0.002","90","","90","","90","","2098","7","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C88 H80 N16 O8 S8 -","8","1","HA1147","Hansell, D. P.; Robinson, K. J.; Wallis, J. D.; Povey, D. C.","<i>N</i>-[3-Methyl-2(3<i>H</i>)-thiazolylidene]benzamide Containing a Short Intramolecular S···O Contact","Acta Crystallographica Section C","1996","52","1","136","139","10.1107/S0108270195011577","","","0.71069","MoKα","","","0.041","","","0.045","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004387","6.814","0.002","12.083","0.006","13.762","0.007","90","","96.15","0.03","90","","1126.6","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[triaqua(2-aminopyrimidine)μu-sulphato-o,o^,^-cobalt(II)] dihydrate","","- C8 H26 Co2 N6 O16 S2 -","- C8 H26 Co2 N6 O16 S2 -","- C16 H52 Co4 N12 O32 S4 -","2","0.5","HR1034","Lumme, P. O.; Knuuttila, H.; Lindell, E.","Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)aquacopper(ii)-μ-sulfato-<i>O</i>:<i>O</i>' Dihydrate] (4)","Acta Crystallographica Section C","1996","52","1","51","56","10.1107/S0108270195001338","","","0.71069","MoKα","","0.118","0.061","","0.128","0.055","","","","4.477","2.44","2.44","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004388","6.426","0.003","11.027","0.006","13.68","0.01","93.11","0.06","90.64","0.06","95.06","0.04","964","1","295","1","295","1","","","","","","","","6","P -1","-P 1","2","","catena-[Diaqua2(2-aminopyrimidine)-μ-sulphato-o,o^,^-nickel(II)] 2-aminopyrimidine","","- C12 H19 N9 Ni O6 S -","- C12 H19 N9 Ni O6 S -","- C24 H38 N18 Ni2 O12 S2 -","2","1","HR1034","Lumme, P. O.; Knuuttila, H.; Lindell, E.","Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)aquacopper(ii)-μ-sulfato-<i>O</i>:<i>O</i>' Dihydrate] (4)","Acta Crystallographica Section C","1996","52","1","51","56","10.1107/S0108270195001338","","","0.71069","MoKα","","0.193","0.092","","0.105","0.069","","","","3.113","3.02","3.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004389","7.28","0.002","10.391","0.003","22.329","0.007","90","","90","","90","","1689.1","0.9","295","1","295","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[Pentaaqua(2-aminopyrimidine)nickel(II)]2-aminopyrimidine","","- C8 H20 N6 Ni O9 S -","- C8 H20 N6 Ni O9 S -","- C32 H80 N24 Ni4 O36 S4 -","4","1","HR1034","Lumme, P. O.; Knuuttila, H.; Lindell, E.","Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)aquacopper(ii)-μ-sulfato-<i>O</i>:<i>O</i>' Dihydrate] (4)","Acta Crystallographica Section C","1996","52","1","51","56","10.1107/S0108270195001338","","","0.71069","MoKα","","0.052","0.034","","0.049","0.036","","","","3.275","2.48","2.48","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004390","4.927","0.002","19.119","0.009","7.93","0.004","90","","94.77","0.03","90","","744.4","0.6","295","1","295","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[Aqua2(2-aminopyrimidine)-μ-o,o~,~ -copper(II)] dihydrate","","- C8 H16 Cu N6 O7 S -","- C8 H16 Cu N6 O7 S -","- C16 H32 Cu2 N12 O14 S2 -","2","0.5","HR1034","Lumme, P. O.; Knuuttila, H.; Lindell, E.","Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)aquacopper(ii)-μ-sulfato-<i>O</i>:<i>O</i>' Dihydrate] (4)","Acta Crystallographica Section C","1996","52","1","51","56","10.1107/S0108270195001338","","","0.71069","MoKα","","0.065","0.039","","0.042","0.035","","","","1.742","2.06","2.06","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004391","7.5415","0.001","18.3253","0.0024","13.382","0.003","90","","90","","90","","1849.4","0.5","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Ge O8 -","- C16 H24 Ge O8 -","- C64 H96 Ge4 O32 -","4","0.5","HU1094","Chiang, H.-C.; Hwang, S.-F.; Ueng, C.-H.","Bis(1,2-benzenediolato)dimethanolgermanium(IV)","Acta Crystallographica Section C","1996","52","1","31","33","10.1107/S0108270195007463","","","0.7107","MoKα","","","0.035","","","0.039","","","","","2.36","2.36","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004392","9.84","0.002","10.379","0.004","13.804","0.003","111.5","0.02","105.4","0.02","102.12","0.02","1188.1","0.7","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 As O2 Se -","- C27 H23 As O2 Se -","- C54 H46 As2 O4 Se2 -","2","1","JZ1054","Lu, W.-M.; Huang, Z.-Z.; Huang, X.","α-Phenylselenomethoxycarbonylmethyl(triphenyl)arsorane","Acta Crystallographica Section C","1996","52","1","89","91","10.1107/S0108270195007815","","","0.71073","MoKα","","","0.048","","","0.054","","","","","1.973","1.973","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004393","8.988","0.006","16.861","0.004","17.737","0.002","90","","96.48","0.03","90","","2670.8","1.9","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,8-Dichloro-1,1,2,2-tetraphenylnaphthocyclobutene","","- C36 H24 Cl2 -","- C36 H24 Cl2 -","- C144 H96 Cl8 -","4","1","JZ1061","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Extremely Long C—C Bonds in Strained 1,1,2,2-Tetraphenylcyclobutaarenes: 3,8-Dichloro-1,1,2,2-tetraphenylcyclobuta[<i>b</i>]naphthalene, C~36~H~24~Cl~2~, and 3,6,9,10-Tetrachloro-4,5-dimethyl-1,1,2,2,7,7,8,8-octaphenyldicyclobuta[<i>b</i>,<i>h</i>]phenanthrene Toluene Solvate, C~68~H~46~Cl~4~.1.5C~7~H~8~","Acta Crystallographica Section C","1996","52","1","177","180","10.1107/S0108270195011097","","","0.7107","MoKα","","0.0696","0.048","","0.156","0.1391","","","","0.924","0.965","0.965","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004394","11.415","0.004","14.316","0.002","18.785","0.004","85.29","0.02","79.11","0.03","82.63","0.03","2984.3","1.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","4,5,8,11-tetrachloro-9,10-dimethyl-1,1,2,2,6,6,7,7-octaphenyl- phenanthrodicyclobutene toluene solvate","","- C78.5 H58 Cl4 -","- C78.5 H54 Cl4 -","- C157 H108 Cl8 -","2","1","JZ1061","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Extremely Long C—C Bonds in Strained 1,1,2,2-Tetraphenylcyclobutaarenes: 3,8-Dichloro-1,1,2,2-tetraphenylcyclobuta[<i>b</i>]naphthalene, C~36~H~24~Cl~2~, and 3,6,9,10-Tetrachloro-4,5-dimethyl-1,1,2,2,7,7,8,8-octaphenyldicyclobuta[<i>b</i>,<i>h</i>]phenanthrene Toluene Solvate, C~68~H~46~Cl~4~.1.5C~7~H~8~","Acta Crystallographica Section C","1996","52","1","177","180","10.1107/S0108270195011097","","","0.7107","MoKα","","0.0733","0.061","","0.1953","0.1863","","","","1.317","1.397","1.397","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004395","6.522","0.003","6.852","0.001","10.539","0.001","71.24","0.01","78.88","0.03","63.29","0.03","397.7","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","2,8-Dithia-1-phospha-5-arsabicyclo[3.3.0]octan-1-oxide","","- C4 H8 As O P S2 -","- C4 H8 As O P S2 -","- C8 H16 As2 O2 P2 S4 -","2","1","JZ1062","Jurkschat, K.; Schollmeyer, D.","2,8-Dithia-1-phospha-5-arsabicyclo[3.3.0]octane 1-Oxide","Acta Crystallographica Section C","1996","52","1","250","252","10.1107/S0108270195011449","","","0.7107","MoKα","","0.036","0.0297","","0.0826","0.0797","","","","1.12","1.146","1.146","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004396","10.26","0.007","10.819","0.005","16.266","0.009","90","","106.07","0.07","90","","1735","1.8","295","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C68 H88 N8 O20 -","4","2","KA1119","Tomas, A.; Lemoine, P.; Viossat, B.; Robin, S.; Zhu, J.; Galons, H.","(<i>S</i>)-3-(1,1-Dimethyloxycarbonylamino)-1-phenylmethyloxypiperidine-2,6-dione, C~17~H~22~N~2~O~5~","Acta Crystallographica Section C","1996","52","1","199","201","10.1107/S010827019500905X","","","0.71069","MoKα","","","0.058","","","0.06","","","","","1.01","1.01","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004397","10.262","0.003","10.595","0.003","11.95","0.004","88.36","0.02","84.28","0.02","83.07","0.02","1283.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,10-phenanthroline)cyanocopper(II) Tricyanomethanide Dihydrate.","","- C29 H20 Cu N8 O2 -","- C29 H20 Cu N8 O2 -","- C58 H40 Cu2 N16 O4 -","2","1","KA1132","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L.","Cyanobis(1,10-phenanthroline)copper(II) Tricyanomethanide Dihydrate","Acta Crystallographica Section C","1996","52","1","48","50","10.1107/S0108270195008638","","","0.71069","MoKα","","0.0975","0.0438","","0.1196","0.1084","","","","0.913","1.094","1.094","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2004398","16.451","0.001","9.481","0.001","16.577","0.001","90","","102.34","0.01","90","","2525.8","0.4","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","dimethyl 2,3-bis(diphenylmethylene)-1,4-butanedicarboxylate or 2,3-di(methyl carboxylate)-1,1,4,4-tetraphenyl-1,3-butadiene","","- C32 H26 O4 -","- C32 H26 O4 -","- C128 H104 O16 -","4","0.5","KA1141","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene","Acta Crystallographica Section C","1996","52","1","118","122","10.1107/S0108270195011358","","","0.71073","MoKα","","0.0616","0.0497","","0.1551","0.1436","","","","1.021","1.061","1.061","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004399","10.3","0.008","16.004","0.002","17.788","0.003","90","","92.06","0.03","90","","2930","2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3-bis(diphenylmethylene)-1,4-butanedioic acid diethanol solvate or 2,3-dicarboxylic acid-1,1,4,4-tetraphenyl-1,3-butadiene diethanol solvate","","- C34 H34 O6 -","- C34 H34 O6 -","- C136 H136 O24 -","4","1","KA1141","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene","Acta Crystallographica Section C","1996","52","1","118","122","10.1107/S0108270195011358","","","0.71073","MoKα","","0.1192","0.0832","","0.2542","0.2181","","","","1.341","1.51","1.51","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004400","14.643","0.004","8.889","0.001","19.682","0.004","90","","105.22","0.02","90","","2472","0.9","295","2","295","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","2,3-dimethylbromide-1,1,4,4-tetraphenyl-1,3-butadiene","","- C30 H24 Br2 -","- C30 H24 Br2 -","- C120 H96 Br8 -","4","1","KA1141","Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.","Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene","Acta Crystallographica Section C","1996","52","1","118","122","10.1107/S0108270195011358","","","0.71073","MoKα","","0.1347","0.1013","","0.2372","0.2224","","","","1.316","1.522","1.522","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004401","9.267","0.002","10.344","0.003","12.149","0.002","97.29","0.02","104.51","0.02","105.49","0.02","1062.8","0.5","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 N2 O14 S2 -","- C46 H46 N2 O16 S2 -","- C46 H46 N2 O16 S2 -","1","0.5","KA1145","Bien, J. T.; Shang, M.; Smith, B. D.","7,7'-Bis[(aza-18-crown-6)carbonyl]thioindigo","Acta Crystallographica Section C","1996","52","1","183","186","10.1107/S0108270195012455","","","0.71073","MoKα","","","0.05085","","","0.06747","","","","","2.256","2.256","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004402","32.549","0.008","6.604","0.001","14.933","0.005","90","","95.21","0.02","90","","3196.6","1.4","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H50 Cl2 Zr -","- C32 H50 Cl2 Zr -","- C128 H200 Cl8 Zr4 -","4","0.5","KH1008","Tian, J.; Li, H.; Hu, N.-H.; Huang, B.-T.","A New Zirconocene Complex, [{η^5^-C~5~H~4~-C(CH~2~)~5~(CH~2~)~2~CH(CH~3~)~2~}~2~ZrCl~2~]","Acta Crystallographica Section C","1996","52","1","19","21","10.1107/S0108270195005543","","","0.71073","MoKα","","","0.035","","","0.044","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004403","10.38","0.007","4.65","0.004","16.04","0.01","90","","92.25","0.07","90","","773.6","1","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","0.5","KH1043","Yoneda, A.; Hakushi, T.; Newkome, G. R.; Matsushita, T.","<i>trans</i>-1,2-Bis(8-hydroxy-2-quinolinyl)ethene: Comparison with <i>trans</i>-Stilbene","Acta Crystallographica Section C","1996","52","1","172","174","10.1107/S0108270195011450","","","0.71069","MoKα","","","0.036","","","0.032","","","","","2.45","2.45","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004404","13.527","0.004","15.592","0.005","12.429","0.006","104.91","0.03","94.72","0.03","101.19","0.02","2460.7","1.7","296","","","","","","","","","","","9","P -1","-P 1","2","","","","- C44 H50 Ag Br2 Fe N P2 S4 W -","- C44 H50 Ag Br2 Fe N P2 S4 W -","- C88 H100 Ag2 Br4 Fe2 N2 P4 S8 W2 -","2","1","KH1045","Lin, P.; Huang, Q.; Sheng, T.; Wu, X.","The Heterotrimetallic Linear Complex Tetraethylammonium Dibromo-2κ^2^<i>Br</i>-tetra-μ-sulfido-1:2κ^4^<i>S</i>;1:3κ^4^<i>S</i>-bis(triphenylphosphine-3κ<i>P</i>)-2-iron-3-silver-1-tungsten, [Et~4~N][Br~2~FeS~2~WS~2~Ag(PPh~3~)~2~]","Acta Crystallographica Section C","1996","52","1","27","29","10.1107/S0108270195009723","","","0.71073","MoKα","","","0.044","","","0.053","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004405","9.019","0.002","9.986","0.001","11.599","0.002","65.32","0.01","71.77","0.01","71.57","0.01","880.5","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","bis[aqua-3,3'-iminobispropylamine)copper(II)] pyromellitate octahydrate","mu-(1,2,4,5-benzenetetracarboxylato)bis[aqua(1,7-diamino-4-aza- heptane)copper(II)] octahydrate","","- C22 H56 Cu2 N6 O18 -","- C22 H56 Cu2 N6 O18 -","- C22 H56 Cu2 N6 O18 -","1","0.5","KH1050","Chen, W.; Tioh, N. H.; Zou, J.-Z.; Xu, Z.; You, X.-Z.","A Tetracarboxylatobenzene-Bridged Binuclear Copper(II) Complex","Acta Crystallographica Section C","1996","52","1","43","45","10.1107/S0108270195010444","","","0.71073","MoKα","","0.0366","0.0323","","0.0856","0.0836","","","","1.115","1.154","1.154","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004406","6.903","0.001","22.275","0.002","14.6622","0.0009","90","","95.722","0.011","90","","2243.3","0.4","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,6,7,8,9,11,12,13,14-dodecahydro-1,6,14-trioxo- benzo[b]benzo[4,5]furo[3,2-d]oxoninium hydroxide","","- C24 H31.5 O5.43 -","- C24 H31.41 O5.41 -","- C96 H125.64 O21.64 -","4","1","LI1137","Barnes, J. C.","A Trimer from 5,5-Dimethylcyclohexan-1,3-dione Containing an O-Protonated Furan Ring","Acta Crystallographica Section C","1996","52","1","262","264","10.1107/S0108270195009279","","","0.71069","MoKα","","0.0847","0.056","","0.157","0.1328","","","","0.85","1.006","1.006","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004407","7.336","0.001","7.401","0.002","10.408","0.004","90","","93.34","0.02","90","","564.1","0.3","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H10 Cd Cl4 N2 -","- C6 H10 Cd Cl4 N2 -","- C12 H20 Cd2 Cl8 N4 -","2","0.5","MU1132","Ye, Q.; Meng, Q.-J.; You, X.-Z.; Huang, X.-Y.","The Intercalation Compound 1,4-Benzenediammonium Tetrachlorocadmate(II)","Acta Crystallographica Section C","1996","52","1","33","35","10.1107/S0108270195007797","","","0.71069","MoKα","","","0.055","","","0.064","","","","","2.45","2.45","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004408","9.461","0.004","12.298","0.006","12.603","0.006","90","","98.6","0.03","90","","1449.9","1.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(phosphonomethyl)acrylic acid hemihydrate","2-(phosphonomethyl)acrylic acid hemihydrate","","- C4 H8 O0.5 P -","- C4 H8 O5.5 P -","- C32 H64 O44 P8 -","8","2","MU1185","Weichsel, A.; Lis, T.","2-(Phosphonomethyl)acrylic Acid Hemihydrate and Ammonium 2-(Phosphonomethyl)acrylate: Analogues of Phosphoenolpyruvate (PEP)","Acta Crystallographica Section C","1996","52","1","97","101","10.1107/S0108270195009802","","","0.71069","MoKα","","0.0386","0.0377","","0.1053","0.1041","","","","1.087","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004409","6.324","0.003","7.71","0.003","16.444","0.006","90","","91.52","0.03","90","","801.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ammonium 2-(phosphonomethyl)acrylate","ammonium 2-(phosphonomethyl)acrylate","","- C4 H10 N O5 P -","- C4 H10 N O5 P -","- C16 H40 N4 O20 P4 -","4","1","MU1185","Weichsel, A.; Lis, T.","2-(Phosphonomethyl)acrylic Acid Hemihydrate and Ammonium 2-(Phosphonomethyl)acrylate: Analogues of Phosphoenolpyruvate (PEP)","Acta Crystallographica Section C","1996","52","1","97","101","10.1107/S0108270195009802","","","0.71069","MoKα","","0.0696","0.038","","0.1186","0.1017","","","","1.051","1.092","1.092","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004410","15.275","0.002","9.588","0.004","17.717","0.002","90","","106.78","0.01","90","","2484.3","1.1","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N Ni S8 -","- C20 H22 N Ni S8 -","- C80 H88 N4 Ni4 S32 -","4","1","MU1192","Zuo, J.-L.; Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.","<i>N</i>-Methylquinolinium Bis(6,7-dihydro-5<i>H</i>-1,4-dithiepine-2,3-dithiolato)nickelate(III)","Acta Crystallographica Section C","1996","52","1","46","48","10.1107/S0108270195009838","","","0.71069","MoKα","","","0.056","","","0.068","","","","","1.78","1.78","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004411","20.96","0.013","13.809","0.013","14.503","0.008","90","","94.151","0.014","90","","4187","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","mer-Bis[2,6-bis(1-phenyliminoethylpyridine)-N,N',N""]copper(II) diperchlorate","","- C42 H38 Cl2 Cu N6 O8 -","- C42 H38 Cl2 Cu N6 O8 -","- C168 H152 Cl8 Cu4 N24 O32 -","4","1","MU1197","Blake, A. J.; Lavery, A. J.; Schröder, M.","<i>mer</i>-Bis[2,6-bis(1-phenyliminoethyl)pyridine-<i>N</i>,<i>N</i>',<i>N</i>'']copper(II) Diperchlorate","Acta Crystallographica Section C","1996","52","1","37","39","10.1107/S0108270195009851","","","0.71073","MoKα","","0.219","0.0943","","0.2258","0.171","","","","0.894","1.288","1.288","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004412","4.5834","0.0005","11.6598","0.0008","12.0208","0.0009","65.239","0.006","84.621","0.008","89.296","0.008","580.52","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","S-methyl β-N-(4-methoxyphenyl)methylendithiocarbazate","","- C10 H12 N2 O S2 -","- C10 H12 N2 O S2 -","- C20 H24 N4 O2 S4 -","2","1","MU1198","Fun, H.-K.; Yip, B.-C.; Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.","Methyl 3-(4-Methoxyphenylmethylene)dithiocarbazate","Acta Crystallographica Section C","1996","52","1","87","89","10.1107/S0108270195009899","","","0.71073","MoKα","","0.0494","0.0326","","0.0869","0.0817","","","","0.925","1.037","1.037","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004413","10.888","0.001","9.381","0.001","26.597","0.003","90","","90","","90","","2716.6","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-dibenzylthiourea.","","- C15 H16 N2 S -","- C15 H16 N2 S -","- C120 H128 N16 S8 -","8","1","MU1200","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","1,3-Dibenzylthiourea and 1,3-Dicyclohexylthiourea","Acta Crystallographica Section C","1996","52","1","139","142","10.1107/S0108270195009875","","","0.71073","MoKα","","0.0537","0.0395","","0.114","0.1064","","","","1.032","1.117","1.117","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004414","12.611","0.002","11.224","0.001","10.435","0.001","90","","110.7","0.01","90","","1381.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-dicyclohexyl thiourea.","","- C13 H24 N2 S -","- C13 H24 N2 S -","- C52 H96 N8 S4 -","4","1","MU1200","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","1,3-Dibenzylthiourea and 1,3-Dicyclohexylthiourea","Acta Crystallographica Section C","1996","52","1","139","142","10.1107/S0108270195009875","","","0.71073","MoKα","","0.0613","0.0367","","0.0919","0.0853","","","","0.897","1.039","1.039","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004415","31.26","0.03","7.5","0.011","15.79","0.014","90","","99.78","0.07","90","","3648","7","150","0.2","150","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(4-n-heptylbenzoyloxy)benzoic acid","","- C21 H24 O4 -","- C21 H23 O4 -","- C168 H184 O32 -","8","2","MU1202","Blake, A. J.; Fallis, I. A.; Parsons, S.; Schröder, M.; Bruce, D. W.","4-(4-<i>n</i>-Heptylbenzoyloxy)benzoic Acid","Acta Crystallographica Section C","1996","52","1","194","197","10.1107/S0108270195009863","","","0.71073","MoKα","","0.2666","0.1078","","0.35","0.2345","","","","1.051","1.422","1.422","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004416","9.812","0.009","5.038","0.003","7.778","0.007","90","","111.95","0.09","90","","356.6","0.6","80","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","disodium D-3-phosphoglycerate","","- C3 H5 Na2 O7 P -","- C3 H5 Na2 O7 P -","- C6 H10 Na4 O14 P2 -","2","1","MU1203","Lis, T.; Jerzykiewicz, L. B.","Disodium <small>D</small>-3-Phosphoglycerate (a Reinvestigation at 80 K) and Bis(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Dihydrate at 85 K","Acta Crystallographica Section C","1996","52","1","129","134","10.1107/S0108270195009905","","","0.71069","MoKα","","0.0235","0.0205","","0.0569","0.055","","","","1.077","1.067","1.067","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004417","12.427","0.005","6.556","0.003","13.085","0.005","90","","94.64","0.06","90","","1062.6","0.8","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","bis(cyclohexylammonium) D-3-phosphoglycerate dihydrate","","- C15 H37 N2 O9 P -","- C15 H37 N2 O9 P -","- C30 H74 N4 O18 P2 -","2","1","MU1203","Lis, T.; Jerzykiewicz, L. B.","Disodium <small>D</small>-3-Phosphoglycerate (a Reinvestigation at 80 K) and Bis(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Dihydrate at 85 K","Acta Crystallographica Section C","1996","52","1","129","134","10.1107/S0108270195009905","","","0.71069","MoKα","","0.0494","0.0295","","0.0764","0.0699","","","","","1.094","1.094","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004418","34.138","0.013","7.3857","0.0011","6.072","0.007","90","","123.04","0.03","90","","1283.4","1.6","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Didecyloxybenzene","","- C26 H46 O2 -","- C26 H46 O2 -","- C52 H92 O4 -","2","0.5","MU1205","Kooijman, H.; Spek, A. L.; Keegstra, E. M. D.; Zwikker, J. W.; Jenneskens, L. W.","Attractive Edge–Face Arene–Arene Interactions in Combination with Close Packing of Alkoxy Chains for 1,4-Didecyloxybenzene","Acta Crystallographica Section C","1996","52","1","85","87","10.1107/S0108270195010766","","","1.54184","CuKα","","","0.0681","","0.136","0.136","","","","1.823","1.823","1.823","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004419","13.224","0.002","10.058","0.001","17.423","0.002","90","","90","","90","","2317.4","0.5","293","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H16 Cu N6 S2 -","- C26 H16 Cu N6 S2 -","- C104 H64 Cu4 N24 S8 -","4","0.5","MU1208","Parker, O. J.; Aubol, S. L.; Breneman, G. L.","<i>cis</i>-Diisothiocyanatobis(1,10-phenanthroline)copper(II), [Cu(NCS)~2~(C~12~H~8~N~2~)~2~]","Acta Crystallographica Section C","1996","52","1","39","41","10.1107/S0108270195009887","","","0.71073","MoKα","","","0.04","","","0.07","","","","","2.48","2.48","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004420","19.929","0.004","10.855","0.003","18.334","0.004","90","","117.28","0.03","90","","3525.1","1.7","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Cl Co N5 O4 -","- C14 H19 Cl Co N5 O4 -","- C112 H152 Cl8 Co8 N40 O32 -","8","2","NA1144","Solans, X.; Font-Bardia, M.; López, C.; Alvarez, S.","Anhydrous <i>trans</i>-(Aniline)chlorobis(dimethylglyoximato)cobalt(III)","Acta Crystallographica Section C","1996","52","1","63","66","10.1107/S0108270195009644","","","0.71069","MoKα","","","0.041","","","0.095","","","","","0.936","0.936","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2004421","15.51","0.01","15.178","0.005","25.66","0.03","90","","106.9","0.1","90","","5780","9","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(tris{μ-2,5-bis[2-(2'-pyridyl)- ethynyl]thiophene-N,N'-dinitratocobalt(II)})","","- C54 H30 Co3 N12 O18 S3 -","- C54 H30 Co3 N12 O18 S3 -","- C216 H120 Co12 N48 O72 S12 -","4","1","NA1163","Driessen, W. L.; Neenan, T. X.","<i>catena</i>-Poly[dinitratocobalt(II)-μ-2,5-bis{2-(2-pyridyl)ethynyl}thiophene-<i>N</i>:<i>N</i>'], [Co(NO~3~)~2~(C~18~H~10~N~2~S)]~3~","Acta Crystallographica Section C","1996","52","1","59","61","10.1107/S0108270195008535","","","0.71073","MoKα","","0.165","0.06","","0.064","0.056","","","","1.617","2.271","2.271","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004422","3.979","0.001","10.8","0.002","18.713","0.005","90","","90.71","0.03","90","","804.1","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","NA1176","Carugo, O.; Charalambous, J.; Raghvani, D. V.; Sardone, N.","5-Ethoxy-1,2-benzoquinone 2-Oxime","Acta Crystallographica Section C","1996","52","1","153","155","10.1107/S0108270195007141","","","1.54184","CuKα","","","0.066","","","0.057","","","","","0.981","0.981","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004423","7.524","0.002","14.819","0.003","11.763","0.002","90","","107.26","0.03","90","","1252.5","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 21-acetoxy-11β-hydroxy-1,4-pregnadiene-(22S)-16α,17α-orthoacetate","","- C26 H34 O8 -","- C26 H34 O8 -","- C52 H68 O16 -","2","1","NA1177","Pniewska, B.; Anulewicz, R.; Uszycka-Horawa, T.","(22<i>S</i>)-21-Acetoxy-11β-hydroxy-16α,17α-methylorthoacetoxypregna-1,4-diene-3,20-dione","Acta Crystallographica Section C","1996","52","1","212","215","10.1107/S0108270195009589","","","1.54178","CuKα","","0.0514","0.0475","","0.1355","0.132","","","","1.052","1.067","1.067","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004424","5.916","0.001","13.112","0.003","20.253","0.004","90","","90","","90","","1571","0.5","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-N-[(2S)-2-(tert-butoxycarbonylamino)propylidene]benzylamine N-oxide","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C60 H88 N8 O12 -","4","1","NA1197","Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A.","Structures of Chiral Nitrones. II. (<i>Z</i>)-<i>N</i>-[(2<i>S</i>)-2-(<i>tert</i>-Butoxycarbonylamino)propylidene]benzylamine <i>N</i>-Oxide","Acta Crystallographica Section C","1996","52","1","218","219","10.1107/S0108270195009358","","","0.71073","MoKα","","0.0524","0.0416","","0.1078","0.0999","","","","1.07","1.078","1.078","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004425","6.199","0.003","6.199","0.003","19.859","0.006","90","","90","","120","","660.9","0.5","293","","","","","","","","","","","3","P -6 c 2","P -6c 2","188","","","","- Dy O19 Ta7 -","- Dy0.1667 O14.8332 Ta6.1667 -","- Dy0.3334 O29.6664 Ta12.3334 -","2","0.166667","OH1087","Guo, G.-C.; Zhuang, J.-N.; Wang, Y.-G.; Chen, J.-T.; Zhuang, H.-H.; Huang, J.-S.; Zhang, Q.-E.","Dysprosium Tantalum Oxide, DyTa~7~O~19~","Acta Crystallographica Section C","1996","52","1","5","7","10.1107/S0108270195010353","","","0.71069","MoKα","","","0.0471","","","0.0548","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004426","6.798","0.004","13.675","0.008","9.722","0.007","90","","99.72","0.04","90","","890.8","1","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 N O -","- C22 H19 N O -","- C44 H38 N2 O2 -","2","1","PA1165","Mousser, A.; Badeche, S.; Merazig, H.; Benhaoua, H.; Ait Sidhoum, D.","<i>N</i>-Benzyl-3,4-diphenyl-2-azetidinone","Acta Crystallographica Section C","1996","52","1","201","203","10.1107/S0108270195004598","","","1.54184","CuKα","","","0.068","","","0.078","","","","","1.448","1.448","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004427","8.818","0.002","10.875","0.001","12.023","0.002","110.45","0.01","92.53","0.02","107.3","0.01","1017.2","0.3","293","","293","","","","","","","","","5","P 1","P 1","1","","7,10,19,22-Tetraoxa-4,13-diaza[16.8^4,13^](9,10) anthracenophane, (HClO~4~)~2~,C~6~H~5~CH~3~","","- C39 H54 Cl2 N2 O12 -","- C39 H52 Cl2 N2 O12 -","- C39 H52 Cl2 N2 O12 -","1","1","PA1177","Lahrahar, N.; Marsau, P.; Bouas-Laurent, H.; Desvergne, J.-P.; Fages, F.","Molecular, Crystal Structure and Fluorescence Emission Properties of Diprotonated 7,10,19,22-Tetraoxa-4,13-diaza[16.8^4,13^](9,10)anthracenophane (<i>A</i>~33~.2H^+^)","Acta Crystallographica Section C","1996","52","1","113","116","10.1107/S0108270195007979","","","1.54178","CuKα","","","0.06","","","0.048","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004428","23.093","0.009","25.688","0.01","6.05","0.002","90","","97.16","0.04","90","","3561","2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-{[4-(4-bromophényl)]-3-butène-2-one-1-yl}-2-{[3-(2,6,6-triméthyl-1- cyclohexène-1-yl)]-2-propène-1-one-1-yl}-3-[(4-bromophényl)-1-yl]- 1,2,3,4,5,6,7,8-octahydro-8,8-diméthyl-naphtalène","","- C40 H46 Br2 O2 -","- C40 H46 Br2 O2 -","- C160 H184 Br8 O8 -","4","1","PA1183","Ginderow, D.","3-(4-Bromophényl)-1-[4-(4-bromophényl)-3-butène-2-one-1-yl]-2-[3-(2,6,6-triméthyl-1-cyclohexène-1-yl)-2-propène-1-one-1-yl]-1,2,3,4,5,6,7,8-octahydro-8,8-diméthylnaphtalène","Acta Crystallographica Section C","1996","52","1","256","259","10.1107/S0108270195008985","","","1.5418","CuKα","","0.0704","0.0517","","0.1694","0.1452","","","","1.083","1.083","1.083","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:25",""
"2004429","12.661","0.003","16.54","0.005","9.677","0.002","90","","101.57","0.02","90","","1985.3","0.9","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O -","- C24 H29 N O -","- C96 H116 N4 O4 -","4","1","PA1188","Nogue, D.; Paugam, R.; Wartski, L.; Nierlich, M.; Vigner, D.; Lance, M.","Two <i>cis</i> Ring-Fused <i>exo</i> <i>N</i>-Aryl Heterocycles: 1-Phenyl-2-(2,4,6-trimethylphenyl)decahydroquinolin-4-one and 1-(4-Trifluoromethylphenyl)-2-phenyldecahydroquinolin-4-one","Acta Crystallographica Section C","1996","52","1","207","210","10.1107/S0108270195009036","","","0.71073","MoKα","","","0.057","","","0.056","","","","","1.34","1.34","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004430","7.15","0.001","12.214","0.002","10.944","0.001","90","","101.2","0.01","90","","937.5","0.2","294","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 F3 N O -","- C22 H22 F3 N O -","- C44 H44 F6 N2 O2 -","2","1","PA1188","Nogue, D.; Paugam, R.; Wartski, L.; Nierlich, M.; Vigner, D.; Lance, M.","Two <i>cis</i> Ring-Fused <i>exo</i> <i>N</i>-Aryl Heterocycles: 1-Phenyl-2-(2,4,6-trimethylphenyl)decahydroquinolin-4-one and 1-(4-Trifluoromethylphenyl)-2-phenyldecahydroquinolin-4-one","Acta Crystallographica Section C","1996","52","1","207","210","10.1107/S0108270195009036","","","0.71073","MoKα","","","0.059","","","0.061","","","","","0.87","0.87","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004431","6.547","0.002","7.057","0.003","9.687","0.004","107.48","0.03","102.07","0.03","102.23","0.03","398.9","0.3","155","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 O3 -","- C10 H6 O3 -","- C20 H12 O6 -","2","1","PT1002","Thomson, M. A.; Kar, M.; Anderson, O. P.; Lenz, T. G.; Vaughan, J. D.","2-Phenylmaleic Anhydride","Acta Crystallographica Section C","1996","52","1","168","169","10.1107/S0108270195009620","","","0.71073","MoKα","","","0.049","","","0.074","","","","","1.207","1.207","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004432","5.774","0.001","40.748","0.006","10.648","0.001","90","","99.053","0.009","90","","2474","0.6","297","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C112 H128 O24 -","8","2","PT1013","Lalancette, R. A.; Coté, M. L.; Thompson, H. W.","(±)-<i>trans</i>-2-Benzoylcyclohexanecarboxylic Acid. Structure and Hydrogen-Bonding Pattern of a γ-Keto Acid","Acta Crystallographica Section C","1996","52","1","244","246","10.1107/S0108270195010407","","","0.71073","MoKα","","","0.0531","","","0.063","","","","","1.56","1.56","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004433","20.48","0.004","10.952","0.002","12.931","0.003","90","","117.58","0.03","90","","2570.8","1.2","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 Br4 N6 O -","- C18 H32 Br4 N6 O -","- C72 H128 Br16 N24 O4 -","4","0.5","PT1017","Nieslanik, B.; Duesler, E. N.; Miao, L.; Jackels, S. C.; Paine, R. T.","Pyo~2~[18]diene-N~6~.4HBr.H~2~O","Acta Crystallographica Section C","1996","52","1","205","207","10.1107/S0108270195009632","","","0.71073","MoKα","","","0.0596","","","0.0582","","","","","0.99","0.99","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004434","9.375","0.005","20.676","0.005","8.866","0.005","90","","90","","90","","1718.6","1.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2:3,4-Di-O-isopropylidene-6-O-methacryloyl-a-D-galactopyranose","","- C16 H24 O7 -","- C16 H24 O7 -","- C64 H96 O28 -","4","1","SX1002","Ojala, W. H.; Gleason, W. B.; Connelly, M. P. E.; Wallis, R. R.; Kremer, J. J.","Polymerizable Methacrylate Carbohydrate Derivatives: 1,2:3,4-Di-<i>O</i>-isopropylidene-6-<i>O</i>-methacryloyl-α-<small>D</small>-galactopyranose and 1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-methacryloyl-α-<small>D</small>-glucofuranose","Acta Crystallographica Section C","1996","52","1","155","158","10.1107/S0108270195009991","","","1.54178","CuKα","","0.0868","0.0406","","0.1239","0.1032","","","","1.026","1.079","1.079","","","","","has coordinates","301791","2025-08-18","23:15:25",""
"2004435","7.275","0.002","8.945","0.002","13.486","0.002","90","","97.148","0.015","90","","870.8","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2:5,6-di-O-isopropylidene-3-O-methacryloyl-a-D-glucofuranose","","- C16 H24 O7 -","- C16 H24 O7 -","- C32 H48 O14 -","2","1","SX1002","Ojala, W. H.; Gleason, W. B.; Connelly, M. P. E.; Wallis, R. R.; Kremer, J. J.","Polymerizable Methacrylate Carbohydrate Derivatives: 1,2:3,4-Di-<i>O</i>-isopropylidene-6-<i>O</i>-methacryloyl-α-<small>D</small>-galactopyranose and 1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-methacryloyl-α-<small>D</small>-glucofuranose","Acta Crystallographica Section C","1996","52","1","155","158","10.1107/S0108270195009991","","","1.54178","CuKα","","0.0414","0.0364","","0.1043","0.0949","","","","1.071","1.022","1.022","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:25",""
"2004436","7.121","0.004","35.583","0.007","5.238","0.004","90","","90","","90","","1327.2","1.3","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 -","- C13 H14 N O5 -","- C52 H56 N4 O20 -","4","1","SZ1005","Gomez de Anderez, D.; Gil, H.; Helliwell, M.; Mata Segreda, J.","<i>N</i>-(<i>p</i>-Tolyl)-amine-1-<small>D</small>-fructose from a Small Crystal","Acta Crystallographica Section C","1996","52","1","252","254","10.1107/S0108270195011255","","","1.54178","CuKα","","","0.091","","","0.095","","","","","2.44","2.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004437","9.851","0.001","10.563","0.002","12.933","0.003","90","","90","","90","","1345.8","0.4","292","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","SZ1016","De Simone, C. A.; Goulart, M. O. F.; Pereira, M. A.; Zukerman-Schpector, J.","Emmotin 2: (2<i>R</i>,3<i>S</i>)-2,6-Dihydroxy-3-(1-hydroxy-1-methylethyl)-8-methyl-1,2,3,4-tetrahydronaphthalene-5-carbaldehyde","Acta Crystallographica Section C","1996","52","1","117","118","10.1107/S0108270195010158","","","0.71073","MoKα","","","0.0452","","","0.0493","","","","","1.41","1.41","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004438","9.411","0.002","14.457","0.003","7.853","0.002","90","","105.95","0.03","90","","1027.3","0.4","297","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N O5 -","- C8 H13 N O5 -","- C32 H52 N4 O20 -","4","1","SZ1021","Prayzner, P.; Ojadi, E. C. A.; Golen, J. A.; Williard, P. G.","<i>N</i>-Acetyliminodiacetate Dimethyl Ester","Acta Crystallographica Section C","1996","52","1","112","113","10.1107/S0108270195010225","","","0.71073","MoKα","","","0.0536","","","0.0603","","","","","1.51","1.51","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004439","9.83","0.002","9.239","0.002","19.654","0.002","90","0.01","96.11","0.01","90","0.01","1774.8","0.6","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","1-trityl-4-nitroimidazole","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C88 H68 N12 O8 -","4","1","SZ1038","Skrzypczak-Jankun, E.; Kurumbail, R. G.","1-Trityl-4-nitroimidazole","Acta Crystallographica Section C","1996","52","1","189","191","10.1107/S0108270195010183","","","0.71073","MoKα","","0.065","0.039","","","0.054","","","","","1.8","1.8","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004440","7.3972","0.0003","9.7969","0.0006","13.3883","0.0008","95.405","0.005","96.186","0.004","91.666","0.004","959.55","0.09","293","","293","","","","","","","","","3","P -1","-P 1","2","","Methyl(10E)-trans-bicyclo[12.3.0]heptadeca-7-ylidene-10-methyl- 10-ene-4,17-dione-1-carboxylate","","- C21 H30 O4 -","- C21 H30 O4 -","- C42 H60 O8 -","2","1","SZ1039","Drouin, M.; Berthiaume, G.; Deslongchamps, P.","14-Membered Macrocycles: Methyl <i>trans</i>-(10<i>E</i>)-5-Methyl-8-methylene-11,15-dioxobicyclo[12.3.0]heptadec-4-ene-14-carboxylate, (I), and Methyl <i>trans</i>-(2<i>E</i>,10<i>E</i>)-10-Methyl-7-methylene-4,17-dioxobicyclo[12.3.0]heptadeca-2,10-diene-1-carboxylate, (II)","Acta Crystallographica Section C","1996","52","1","107","110","10.1107/S0108270195010092","","","0.7093","MolybdenumKα~1~","","0.047","0.037","","0.062","0.06","","","","","1.68","1.68","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004441","9.5791","0.0013","9.883","0.003","12.2588","0.0012","73.344","0.017","68.083","0.017","64.29","0.018","959.2","0.4","293","","293","","","","","","","","","3","P -1","-P 1","2","","Methyl(2E,10E)-trans-bicyclo[12.3.0]heptadeca-7-ylidene-10-methyl-2,10-diene- 4,17-dione-1-carboxylate.","","- C21 H28 O4 -","- C21 H28 O4 -","- C42 H56 O8 -","2","1","SZ1039","Drouin, M.; Berthiaume, G.; Deslongchamps, P.","14-Membered Macrocycles: Methyl <i>trans</i>-(10<i>E</i>)-5-Methyl-8-methylene-11,15-dioxobicyclo[12.3.0]heptadec-4-ene-14-carboxylate, (I), and Methyl <i>trans</i>-(2<i>E</i>,10<i>E</i>)-10-Methyl-7-methylene-4,17-dioxobicyclo[12.3.0]heptadeca-2,10-diene-1-carboxylate, (II)","Acta Crystallographica Section C","1996","52","1","107","110","10.1107/S0108270195010092","","","0.7093","MolybdenumKα~1~","","0.091","0.073","","0.084","0.083","","","","","4.83","4.83","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004442","20.155","0.006","12.151","0.002","22.026","0.004","90","","99.81","0.02","90","","5315","2","298","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Cl3 I4 N6 S18 Tl -","- C34 Cl4 I4 N6 S18 Tl -","- C136 Cl16 I16 N24 S72 Tl4 -","4","1","SZ1040","Geiser, U.; Schlueter, J. A.; Kini, A. M.; Achenbach, C. A.; Komosa, A. S.; Williams, J. M.","3,4-Pyrazino-3',4'-ethylenedithio-2,2',5,5'-tetrathiafulvalenium Tetraiodothallate(III) Solvate (3:1) with 1,1,2-Trichloroethane, (PEDT‒TTF)~3~TlI~4~.TCE","Acta Crystallographica Section C","1996","52","1","159","162","10.1107/S0108270195010079","","","0.7107","MoKα","","","0.07","","","0.051","","","","","1.77","1.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004443","11.996","0.003","13.048","0.003","25.017","0.008","98.93","0.02","90.46","0.02","114","0.02","3522.9","1.8","230","2","230","2","","","","","","","","8","P -1","-P 1","2","Holmium carbons apart carborane cluster","","","- C44 H100 B8 Cl4 Ho2 Li2 N6 Si4 -","- C44 H100 B8 Cl4 Ho2 Li2 N6 Si4 -","- C88 H200 B16 Cl8 Ho4 Li4 N12 Si8 -","2","1","SZ1042","Zhang, H.; Wang, Y.; Maguire, J. A.; Hosmane, N. S.","A Dinuclear Holmium(III) `Carbons Apart' Carborane Cluster, [C~34~H~92~B~8~Cl~4~Ho~2~Li~2~N~6~Si~4~].C~10~H~8~","Acta Crystallographica Section C","1996","52","1","8","11","10.1107/S0108270195010110","","","0.71073","MoKα","","0.0592","0.0419","","0.1254","0.1042","","","","1.044","1.066","1.066","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004444","9.89","0.005","9.258","0.004","8.878","0.005","108.26","0.04","78.48","0.04","67.38","0.04","663.3","0.7","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C34 H28 O4 -","2","1","SZ1043","Selladurai, S.; Subramanian, K.; Lakshmi, S.; Chen, Y.-S.; Holt, E. J.; Narasinga Rao, S.","5-Methyl-3-(1-phenylethylidene)-2,3-dihydrobenzo[<i>b</i>]furan-2-one","Acta Crystallographica Section C","1996","52","1","94","95","10.1107/S0108270195010122","","","0.71073","MoKα","","","0.063","","","0.083","","","","","1.271","1.271","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004445","16.305","0.007","10.366","0.004","6.9","0.004","90","","90","","90","","1166.2","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(6SR,7RS,8SR)-7-methyl-8-phenyl-3-oxabicyclo[4.2.0]oct-1-en-8-ol","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","SZ1044","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran","Acta Crystallographica Section C","1996","52","1","237","244","10.1107/S0108270195010134","","","1.54056","CuKα","","0.064","0.0429","","0.134","0.0975","","","","1.28","1.107","1.107","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004446","11.031","0.002","8.3","0.001","6.625","0.001","102.37","0.01","93.66","0.01","98.31","0.01","583.44","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(1SR,2RS,8RS)8-methylthio-3-oxatricyclo[6.4.0.0^2,7^]dodec-6-en-1-ol","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C24 H36 O4 S2 -","2","1","SZ1044","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran","Acta Crystallographica Section C","1996","52","1","237","244","10.1107/S0108270195010134","","","1.54178","CuKα","","0.0375","0.0322","","0.1007","0.0899","","","","1.027","1.091","1.091","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004447","18.992","0.007","10.595","0.003","11.875","0.005","90","","90","","90","","2389.5","1.5","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","(1RS,2RS,6SR,7SR,8RS)8-methyl-3-oxatricyclo[6.4.0.0^2,7^]dodeca-1,6,7-triol","","- C12 H20 O4 -","- C12 H20 O4 -","- C96 H160 O32 -","8","1","SZ1044","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran","Acta Crystallographica Section C","1996","52","1","237","244","10.1107/S0108270195010134","","","1.54178","CuKα","","0.1213","0.1071","","0.2212","0.21","","","","1.244","1.265","1.265","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004448","10.798","0.003","12.1","0.003","12.359","0.003","106.24","0.02","104.27","0.03","103.54","0.02","1420.6","0.7","294","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","2","SZ1046","Schaefer, W. P.; Henling, L. M.; McBay, H. C.; Abulū, J.","A Pinacol Precursor to a Chiral Spiro Compound","Acta Crystallographica Section C","1996","52","1","104","107","10.1107/S0108270195010213","","","0.71073","MoKα","","","","","","","","","","","1.38","1.38","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004449","6.982","0.001","8.106","0.006","8.389","0.001","106.75","0.04","108.51","0.04","97.3","0.03","418.4","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","3-Map","2-amino-3-methylpyridinium bromide monohydrate","","- C6 H11 Br N2 O -","- C6 H11 Br N2 O -","- C12 H22 Br2 N4 O2 -","2","1","TA1032","Coffey, T.; Robinson, W. T.; Turnbull, M. M.","2-Amino-3-methylpyridinium Bromide Monohydrate","Acta Crystallographica Section C","1996","52","1","248","250","10.1107/S0108270195011139","","","0.71073","MoKα","","0.0528","0.0428","","0.1279","0.1079","","","","0.998","1.013","1.013","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004450","6.042","0.002","13.688","0.003","10.904","0.003","90","0.02","99.13","0.03","90","0.02","890.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one","","- C9 H8 N2 O4 -","- C9 H8 N2 O4 -","- C36 H32 N8 O16 -","4","1","TA1035","Waters, J. M.; Kitson, T. M.","3,4-Dihydro-3-methyl-6-nitro-2<i>H</i>-1,3-benzoxazin-2-one and <i>p</i>-Nitrophenyl Dimethylcarbamate","Acta Crystallographica Section C","1996","52","1","101","104","10.1107/S0108270195010894","","","0.71073","MoKα","","0.1068","0.0421","","0.1683","0.1395","","","","1.08","1.227","1.227","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004451","11.207","0.002","12.195","0.001","7.3631","0.0009","90","0.01","90","0.01","90","0.01","1006.3","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","p-nitrophenyl dimethylcarbamate","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C36 H40 N8 O16 -","4","1","TA1035","Waters, J. M.; Kitson, T. M.","3,4-Dihydro-3-methyl-6-nitro-2<i>H</i>-1,3-benzoxazin-2-one and <i>p</i>-Nitrophenyl Dimethylcarbamate","Acta Crystallographica Section C","1996","52","1","101","104","10.1107/S0108270195010894","","","0.71073","MoKα","","0.0865","0.0465","","0.165","0.1433","","","","1.106","1.24","1.24","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004452","22.939","0.001","6.574","0.002","16.481","0.002","90","","114.67","0.01","90","","2258.5","0.8","293","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H26 O7 -","- C25 H26 O7 -","- C100 H104 O28 -","4","1","VJ1017","Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.","Tricoccin R2","Acta Crystallographica Section C","1996","52","1","92","94","10.1107/S0108270195007037","","","1.5418","CuKα","","","0.049","","","0.058","","","","","1.08","1.08","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004453","10.181","0.002","14.635","0.002","16.076","0.002","90","","90","","90","","2395.3","0.6","292","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O5 -","- C27 H34 O5 -","- C108 H136 O20 -","4","1","VJ1018","Sekar, K.; Parthasarathy, S.; Schenk, H.; Mondon, A.; Epe, B.","Tricoccin S~43~","Acta Crystallographica Section C","1996","52","1","110","112","10.1107/S0108270195001533","","","1.5418","CuKα","","","0.064","","","0.078","","","","","1.442","1.442","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004454","9.968","0.002","11.207","0.004","13.394","0.001","100.86","0.01","104.42","0.02","101.63","0.01","1373.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Terbutaline hemisulfate","5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-benzenediol hemisulfate.","","- C12 H20 N O5 S0.5 -","- C12 H20 N O5 S0.5 -","- C48 H80 N4 O20 S2 -","4","2","VJ1027","Sengupta, R.; Dattagupta, J. K.","A β-Adrenergic Agonist: Protonated Terbutaline Hemisulfate","Acta Crystallographica Section C","1996","52","1","162","164","10.1107/S0108270195011395","","","1.54178","CuKα","","0.0868","0.0623","","0.2858","0.2326","","","","0.856","0.863","0.863","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004455","9.708","0.002","14.039","0.001","26.302","0.002","90","","90","","90","","3584.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Oxymetazoline hydrochloride monohydrate","3-[(4,5-dihydro-1H-imidazole-2-yl)methyl]-6-(1,1-dimethylethyl) -2,4-dimethylphenol Hydrochloride monohydrate.","","- C16 H27 Cl N2 O2 -","- C16 H27 Cl N2 O2 -","- C128 H216 Cl8 N16 O16 -","8","1","VJ1028","Sengupta, R.; Dattagupta, J. K.","An α-Adrenergic Agonist: Protonated Oxymetazoline Hydrochloride Monohydrate","Acta Crystallographica Section C","1996","52","1","164","166","10.1107/S0108270195011401","","","1.54178","CuKα","","0.0828","0.0793","","0.223","0.2193","","","","1.105","1.131","1.131","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004456","14.452","0.003","13.089","0.003","17.558","0.003","90","","96.01","0.03","90","","3303.1","1.2","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C136 H144 N32 O24 -","8","4","AB1224","Kelderman, E.; Verboom, W.; Engbersen, J. F. J.; Reinhoudt, D. N.; Harkema, S.","<i>trans</i>-(3a<i>R</i>)-1,2,3,3a-Tetrahydro-3a-(methoxymethyl)-5-methyl-7-nitropyrrolo[1,2-<i>a</i>]quinoline-4,4(5<i>H</i>)-dicarbonitrile: Four Independent Molecules in the Unit Cell","Acta Crystallographica Section C","1996","52","2","458","460","10.1107/S0108270195011863","","","0.71073","MoKα","","","0.052","","","0.061","","","","","2.14","2.14","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004457","10.22","0.001","10.22","","20.973","0.002","90","","90","","90","","2190.6","0.3","294.2","","294.2","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C10 H28 Cl2 N2 O14 Pt -","- C10 H28 Cl2 N2 O14 Pt -","- C40 H112 Cl8 N8 O56 Pt4 -","4","0.5","AB1271","Whalen, J. T.; Chang, S.-C.; Norman, R. E.","Dichloro(ethylenediaminetetraacetic acid-<i>N</i>,<i>N</i>')platinum(II)‒Water (1/6)","Acta Crystallographica Section C","1996","52","2","297","300","10.1107/S0108270195009243","","","0.7107","MoKα","","","0.0416","","","0.0527","","","","","1.989","1.989","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2004458","13.847","0.002","12.2","0.001","15.981","0.002","90","","105.72","0.01","90","","2598.7","0.6","298","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Mn(ω-nap)~2~ dipyridine adduct","bis(ω-nitroacetophenonato)Mn(II) cis-dipyridine adduct","","- C26 H22 Mn N4 O6 -","- C26 H22 Mn N4 O6 -","- C104 H88 Mn4 N16 O24 -","4","0.5","AB1273","Hicke, S.; Mueller, T. E.; Falvello, L. R.","<i>cis</i>-Dipyridine Complex of Bis(ω-nitroacetophenonato)manganese(II)","Acta Crystallographica Section C","1996","52","2","307","309","10.1107/S0108270195008304","","","0.71073","MoKα","","0.1301","0.0582","","0.1185","0.104","","","","1.054","1.202","1.202","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004459","6.795","0.005","6.929","0.005","7.457","0.004","91.96","0.05","102.13","0.05","118.82","0.06","297","0.4","300","","","","","","","","","","","5","P -1","-P 1","2","","","","- Cl4 H4 O4 Rb2 U -","- Cl4 H4 O4 Rb2 U -","- Cl4 H4 O4 Rb2 U -","1","0.5","AB1276","Anson, C. E.; Al-Jowder, O.; Jayasooriya, U. A.; Powell, A. K.","Dirubidium Tetrachlorodioxouranium(VI)‒Water (1:2)","Acta Crystallographica Section C","1996","52","2","279","281","10.1107/S0108270195011723","","","0.71069","MoKα","","","0.051","","","0.0507","","","","","2.79","2.79","","","","","has coordinates","189249","2020-10-21","18:00:00",""
"2004460","4.944","0.002","13.005","0.002","20.234","0.003","85.07","0.01","89.71","0.02","79.45","0.02","1274.2","0.6","122","2","122","2","","","","","","","","4","P -1","-P 1","2","N-acetyl-N,O-di(propylcarbamoyl)hydroxylamine","N-[(propylamino)carbonyl]-N-{[(propylamino)carbonyl]oxy}-acetamide.","","- C10 H19 N3 O4 -","- C10 H19 N3 O4 -","- C40 H76 N12 O16 -","4","2","AB1290","B. B. Nielsen; K. Frydenvang; I. K. Larsen","The Ribonucleotide Reductase R1 Inhibitor <i>N</i>-Acetyl-<i>N</i>,<i>O</i>-di(propylcarbamoyl)hydroxylamine, an Analogue of Caracemide","Acta Crystallographica Section C","1996","52","2","387","390","10.1107/S0108270195012236","","","0.71073","MoKα","","0.0826","0.0698","","0.1958","0.1755","","","","1.046","1.017","1.017","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004461","7.519","0.004","14.202","0.003","7.885","0.003","90","","109.26","0.04","90","","794.9","0.6","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-amino-4-methoxy-2-methylthiopyrimidine","","- C6 H9 N3 O S -","- C6 H9 N3 O S -","- C24 H36 N12 O4 S4 -","4","1","AB1323","Low, J. N.; Ferguson, G.; Godino, M. L.; Cobo, J.; Lopez, R.; Melguizo, M.; Nogueras, M.; Sanchez, A.","6-Amino-4-methoxy-2-methylthiopyrimidine","Acta Crystallographica Section C","1996","52","2","418","420","10.1107/S010827019501448X","","","0.7107","MolybdenumKα","","0.0872","0.0636","","0.1636","0.1533","","","","1.003","1.13","1.13","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004462","12.748","0.002","20.265","0.003","8.562","0.002","90","","90.38","0.01","90","","2211.8","0.7","293","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H48 N10 Na4 O31 P4 -","- C20 H48 N10 Na4 O31 P4 -","- C40 H96 N20 Na8 O62 P8 -","2","1","AS1187","Watanabe, D.; Ishikawa, M.; Yamasaki, M.; Ozaki, M.; Katayama, T.; Nakajima, H.","Tetrasodium <i>P</i>^1^,<i>P</i>^4^-Bis(5'-adenosyl)tetraphosphate Dodecahydrate","Acta Crystallographica Section C","1996","52","2","338","340","10.1107/S0108270195010419","","","1.54184","CuKα","","","0.036","","","0.054","","","","","1.28","1.28","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004463","7.679","0.002","5.891","0.001","14.8","0.003","90","","91.28","0.03","90","","669.3","0.2","298","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 -","- C18 H18 -","- C36 H36 -","2","0.5","AS1191","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","1,1'-Diphenyl-1,1'-bicyclopropyl and 1,1'-Diphenyl-1,1'-bicyclobutyl","Acta Crystallographica Section C","1996","52","2","397","400","10.1107/S0108270195011929","","","0.71073","MoKα","","","0.0397","","","0.0473","","","","","1.24","1.24","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004464","11.2","0.01","7.627","0.007","17.56","0.01","90","","90","","90","","1500","2","298","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C20 H22 -","- C20 H22 -","- C80 H88 -","4","0.5","AS1191","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","1,1'-Diphenyl-1,1'-bicyclopropyl and 1,1'-Diphenyl-1,1'-bicyclobutyl","Acta Crystallographica Section C","1996","52","2","397","400","10.1107/S0108270195011929","","","0.71073","MoKα","","","0.0354","","","0.0437","","","","","1.37","1.37","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004465","10.322","0.003","14.909","0.001","9.8059","0.0008","90","","109.48","0.01","90","","1422.7","0.4","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H19 N O2 -","- C19 H20 N O2 -","- C76 H80 N4 O8 -","4","1","AS1204","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Coumarin 106, C~18~H~19~NO~2~","Acta Crystallographica Section C","1996","52","2","364","365","10.1107/S0108270195010845","","","1.54184","CuKα","","","0.051","","","0.066","","","","","2.85","2.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004466","7.686","0.003","7.242","0.001","9.924","0.001","90","","98.31","0.02","90","","546.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-bromo-5-(α-D-2-deoxyribofuranosyl)pyridine","","- C10 H12 Br N O3 -","- C10 H12 Br N O3 -","- C20 H24 Br2 N2 O6 -","2","1","AS1213","Neidle, S.; Capaldi, D. C.; Bernadette, J. V.; Reese, C. B.","The α-Pyridyl Nucleoside Analogue 2-Bromo-5-(2-deoxy-α-<small>D</small>-ribofuranosyl)pyridine","Acta Crystallographica Section C","1996","52","2","407","409","10.1107/S0108270195013060","","","0.7107","MoKα","","0.0446","0.0434","","0.1139","0.1132","","","","0.909","0.932","0.932","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004467","12.266","0.001","11.879","0.001","10.412","0.002","90","","93.76","0.01","90","","1513.8","0.3","297","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O4 -","- C19 H20 N O4 -","- C76 H80 N4 O16 -","4","1","AS1214","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","An Orange Form of Coumarin 314","Acta Crystallographica Section C","1996","52","2","395","397","10.1107/S010827019501239X","","","1.54184","CuKα","","","0.055","","","0.089","","","","","4.29","4.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004468","10.04","0.01","9.572","0.004","10.68","0.005","90","","98.16","0.06","90","","1016","1.2","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 S -","- C11 H11 N3 S -","- C44 H44 N12 S4 -","4","1","AS1216","Kingsford-Adaboh, R.; Kashino, S.; Sasaki, K.; Rouf, A. S. S.; Hirota, T.","5-Amino-8-methyl-1,2-dihydrothieno(and furo)[2,3-<i>h</i>][1,6]naphthyridines","Acta Crystallographica Section C","1996","52","2","372","375","10.1107/S0108270195013035","","","0.71073","MoKα","","","0.038","","","0.031","","","","","1.49","1.49","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004469","9.975","0.005","9.695","0.005","10.145","0.009","90","","97.92","0.06","90","","971.7","1.1","297","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","AS1216","Kingsford-Adaboh, R.; Kashino, S.; Sasaki, K.; Rouf, A. S. S.; Hirota, T.","5-Amino-8-methyl-1,2-dihydrothieno(and furo)[2,3-<i>h</i>][1,6]naphthyridines","Acta Crystallographica Section C","1996","52","2","372","375","10.1107/S0108270195013035","","","0.71073","MoKα","","","0.038","","","0.036","","","","","1.87","1.87","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004470","10.631","0.002","10.84","0.002","11.08","0.002","90","","92.31","0.02","90","","1275.8","0.4","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Ir N O S -","- C13 H12 Ir N O S -","- C52 H48 Ir4 N4 O4 S4 -","4","1","BK1135","Theron, M.; Purcell, W.; Basson, S. S.","(η^4^-Cycloocta-1,5-diene)(2-pyridinethiolato <i>N</i>-oxide-κ<i>O</i>,κ<i>S</i>)iridium(I)","Acta Crystallographica Section C","1996","52","2","336","338","10.1107/S0108270195008729","","","0.71073","MoKα","","","0.038","","","0.038","","","","","0.77","0.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004471","13.463","0.003","13.463","0.003","9.864","0.004","90","","90","","90","","1787.9","0.9","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","Chloro-(5,10,15,20-Tetraphenylporphinato)manganese(III)","","- C44 H28 Cl Mn N4 -","- C44 H28 Cl Mn N4 -","- C88 H56 Cl2 Mn2 N8 -","2","0.125","BK1136","Cheng, B.; Scheidt, W. R.","Chloro(5,10,15,20-tetraphenylporphyrinato)manganese(III) with 4/<i>m</i> Symmetry","Acta Crystallographica Section C","1996","52","2","361","363","10.1107/S0108270195009371","","","0.71073","MoKα","","0.0713","0.0546","","0.1466","0.1293","","","","1.101","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004472","13.59","0.002","5.003","0.002","17.627","0.002","90","","108.26","0.01","90","","1138.1","0.5","173","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 F N O3 -","- C14 H10 F N O3 -","- C56 H40 F4 N4 O12 -","4","1","BK1161","Ojala, W. H.; Clemons, J. E.; Ojala, C. R.","2-(2-Fluorobenzoylamino)benzoic Acid","Acta Crystallographica Section C","1996","52","2","484","485","10.1107/S0108270195010560","","","1.54178","CuKα","","","0.034","","","0.037","","","","","2.12","2.12","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004473","15.379","0.001","19.324","0.001","3.915","0.001","90","","90","","90","","1163.5","0.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-phenylquinoline-4-carboxylic acid","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","BK1182","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","2-Phenylquinoline-4-carboxylic Acid","Acta Crystallographica Section C","1996","52","2","409","411","10.1107/S0108270195013217","","","0.71073","MoKα","","","0.034","","","0.04","","","","","1.42","1.42","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004474","40.302","0.004","40.302","0.004","40.302","0.004","90","","90","","90","","65461","11","130","2","130","2","","","","","","","","7","F d -3 :2","-F 2uv 2vw 3","203","none","[{μu~3~-gold(triphenylphosphine)}tris{μu-bis(diphenylphosphino)methane}- triplatinum] hexafluorphosphate/tetrafluroborate (0.75:0.25)","","- C93 H81 Au B0.25 F5.5 P7.75 Pt3 -","- C93 H81 Au B0.25 F5.51 P7.75 Pt3 -","- C2976 H2592 Au32 B8 F176.32 P248 Pt96 -","32","0.333333","BM1016","Muir, K. W.; Manojlovic-Muir, L.; Fullard, J.","The PF~6~^{-^}/BF~4~^{-^} Mixed Salt of the Cluster Cation [Pt~3~(μ~3~-AuPPh~3~)(μ-dppm)~3~]^+^, dppm = Ph~2~PCH~2~PPh~2~","Acta Crystallographica Section C","1996","52","2","295","297","10.1107/S0108270195007852","","","0.71073","MoKα","","0","0.0499","","0","0.1256","","","","0","1.086","1.086","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004475","9.53","0.01","8.31","0.01","12.39","0.01","90","","90","","90","","981.2","1.8","286","","288","","","","","","","","","5","C m c 21","C 2c -2","36","","trimethylammonium trichlorostannate(IV)","","- C3 H10 Cl3 N Sn -","- C3 H10 Cl3 N Sn -","- C12 H40 Cl12 N4 Sn4 -","4","0.5","BM1018","Halfpenny, J.","Trimethylammonium Trichlorostannate(II)","Acta Crystallographica Section C","1996","52","2","340","342","10.1107/S0108270195009668","","","0.71073","MoKα","","","0.031","","","0.031","","","","","0.906","0.906","","","","","has coordinates","198514","2020-10-21","18:00:00",""
"2004476","10.55","0.02","12.26","0.02","9.76","0.02","113.1","0.1","99.1","0.2","99","0.2","1113","4","295","1","295","1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N4 O2.5 -","- C11 H11 N4 O2.5 -","- C44 H44 N16 O10 -","4","2","BM1021","Capparelli, M. V.; Charris, J. E.; Domínguez, J. N.","5-(<i>p</i>-Anisidino)-4-cyano-2,3-dihydro-3-pyrazolone Hemihydrate, C~11~H~10~N~4~O~2~.0.5H~2~O","Acta Crystallographica Section C","1996","52","2","447","449","10.1107/S0108270195009206","","","0.71069","MoKα","","","0.0388","","","0.0389","","","","","1.574","1.574","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004477","8.433","0.002","12.987","0.006","7.743","0.003","98.92","0.04","98.9","0.03","105.53","0.03","789.8","0.6","296","","296","","","","","","","","","3","P -1","-P 1","2","C1TET-TTF","bis(methylthio)ethylenedithiotetrathiafulvalene","","- C10 H10 S8 -","- C10 H10 S8 -","- C20 H20 S16 -","2","1","BM1022","Zhang, B.; Li, Y.-L.; Han, H.-X.; Yang, J.-K.; Zhu, D.-B.; Maruyama, Y.-S.","Bis(methylthio)ethylenedithiotetrathiafulvalene","Acta Crystallographica Section C","1996","52","2","400","403","10.1107/S0108270195012832","","","0.71069","MolybdenumKα","","","0.06","","","0.081","","","","","2.06","2.06","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004478","15.273","0.005","9.931","0.007","19.1975","0.0015","90","","97.933","0.012","90","","2884","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraethylammonium Bis(isothiocyanato)triphenylstannate","","- C28 H35 N3 S2 Sn -","- C28 H35 N3 S2 Sn -","- C112 H140 N12 S8 Sn4 -","4","0.5","BM1025","Cox, P. J.; Wardell, J. L.","Tetraethylammonium Bis(isothiocyanato)triphenylstannate","Acta Crystallographica Section C","1996","52","2","317","319","10.1107/S0108270195009437","","","0.71069","MoKα","","0.0521","0.0466","","0.1109","0.1093","","","","1.032","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004479","10.269","0.004","19.958","0.003","15.066","0.003","90","","103.8","0.02","90","","2998.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N,N'-methylenedipyridinium cis-difluorotetrachloroosmate(IV)","","- C22 H24 Cl8 F4 N4 Os2 -","- C11 H12 Cl4 F2 N2 Os -","- C88 H96 Cl32 F16 N16 Os8 -","8","2","BM1027","Bruhn, C.; Preetz, W.","Dipyridiniomethane <i>cis</i>- and <i>trans</i>-Difluorotetrachloroosmate(IV), <i>cis</i>- and <i>trans</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~4~F~2~]","Acta Crystallographica Section C","1996","52","2","321","325","10.1107/S0108270195010717","","","0.71069","MoKα","","0.0467","0.029","","0.0756","0.0642","","","","1.182","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004480","7.7562","0.0005","10.0127","0.0008","11.0057","0.0009","89.649","0.007","70.346","0.006","75.112","0.006","774.86","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N,N'-methylenedipyridinium trans-difluorotetrachloroosmate(IV)","","- C11 H12 Cl4 F2 N2 Os -","- C11 H12 Cl4 F2 N2 Os -","- C22 H24 Cl8 F4 N4 Os2 -","2","1","BM1027","Bruhn, C.; Preetz, W.","Dipyridiniomethane <i>cis</i>- and <i>trans</i>-Difluorotetrachloroosmate(IV), <i>cis</i>- and <i>trans</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~4~F~2~]","Acta Crystallographica Section C","1996","52","2","321","325","10.1107/S0108270195010717","","","0.71069","MoKα","","0.0231","0.0148","","0.0389","0.0343","","","","1.132","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004481","28.103","0.004","18.37","0.003","23.755","0.006","90","","123.58","0.01","90","","10217","4","293","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","","","","","- C63 H56 Cl3 O4.5 S -","- C63 H55 Cl3 O4.5 S -","- C504 H440 Cl24 O36 S8 -","8","1","BR1035","Parvez, M.","A 5,18:9,14-Di-<i>o</i>-benzeno-6,17:7,16:8,15-trimethanobenzo[1'',2'':3,4;4'',5'':3',4']dicyclobuta[1,2-<i>b</i>:1',2'-<i>b</i>']dianthracene Derivative","Acta Crystallographica Section C","1996","52","2","444","447","10.1107/S0108270195009607","","","0.71069","MoKα","","","0.098","","","0.112","","","","","3.42","3.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004482","7.9268","0.0004","7.9268","0.0004","9.1025","0.0005","90","","90","","90","","571.95","0.05","298","","","","","","","","","","Synthetic","3","P -4 21 c","P -4 2n","114","","","Hydroromarchite","- H4 O8 Sn6 -","- O8 Sn6 -","- O16 Sn12 -","2","0.25","BR1120","Abrahams, I.; Grimes, S. M.; Johnston, S. R.; Knowles, J. C.","Tin(II) Oxyhydroxide by X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","2","286","288","10.1107/S0108270195012625","","","1.54184","CuKα","","","0.0332","","","0.0436","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2004483","9.004","0.001","9","0.001","12.963","0.002","85.25","0.01","85.55","0.01","82.45","0.01","1035.4","0.2","113","2","","","","","","","","","","3","P -1","-P 1","2","","","","- Cl10 Re6 Te4 -","- Cl10 Re6 Te4 -","- Cl20 Re12 Te8 -","2","1","BR1121","Mironov, Y. V.; Cody, J. A.; Ibers, J. A.","Hexachlorotetra-μ~3~-chloro-tetra-μ~3~-telluro-octohexarhenium(III)","Acta Crystallographica Section C","1996","52","2","281","283","10.1107/S0108270195013205","","","1.54056","CuKα~1~","","","0.0479","","","0.112","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004484","16.373","0.004","10.4066","0.0006","17.629","0.005","90","","90.101","0.014","90","","3003.8","1.1","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aquachlorotriphenyltin.3,4,7,8-tetramethyl-1,10-phenanthroline","","- C34 H33 Cl N2 O Sn -","- C34 H33 Cl N2 O Sn -","- C136 H132 Cl4 N8 O4 Sn4 -","4","1","CF1017","Ng, S. W.","A 1:1 Adduct of Aquachlorotriphenyltin with 3,4,7,8-Tetramethyl-1,10-phenanthroline","Acta Crystallographica Section C","1996","52","2","354","356","10.1107/S0108270195009498","","","0.71073","MoKα","","0.048","0.0319","","0.0814","0.073","","","","1.002","1.025","1.025","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004485","10.2784","0.0014","10.5411","0.0014","17.794","0.003","90","","101.332","0.011","90","","1890.3","0.5","294","1","294","1","","","","","","","","3","P 1 21 1","P 2yb","4","","Tris(4-methoxyphenyl)methanol","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","2","CF1052","Ferguson, G.; Glidewell, C.; Patterson, I. L. J.","Tris(4-methoxyphenyl)methanol","Acta Crystallographica Section C","1996","52","2","420","423","10.1107/S0108270195013990","","","0.7107","MoKα","","0.0869","0.0407","","0.0979","0.0872","","","","0.927","1.141","1.141","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004486","7.7383","0.0017","15.098","0.002","22.515","0.005","90","","90","","90","","2630.5","0.9","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H45 Na O6 -","- C27 H46 Na O6 -","- C108 H184 Na4 O24 -","4","1","CR1178","Wahle, M. C.; Stowell, J. G.; Byrn, S. R.","Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate Ethanolate (Sodium Cholate Ethanolate)","Acta Crystallographica Section C","1996","52","2","325","328","10.1107/S0108270195009152","","","1.54184","CuKα","","","0.047","","","0.109","","","","","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004487","22.076","0.003","8.722","0.001","6.552","0.001","90","","90","","90","","1261.6","0.3","293","2","293","","","","","","","","","6","P c a 21","P 2c -2ac","29","C12 H7 Br Cl2 N2 O1","N-(4-bromophenyl)-5,6-dichloronicotinamide","","- C12 H7 Br Cl2 N2 O -","- C12 H7 Br Cl2 N2 O -","- C48 H28 Br4 Cl8 N8 O4 -","4","1","CR1196","Jethmalani, J. M.; Camp, A. G.; Soman, N. G.; Hawley, J. W.; Setliff, F. L.; Holt, E. M.","<i>N</i>-(4-Bromophenyl)-5,6-dichloronicotinamide and 6-Chloro-5-fluoro-<i>N</i>-(3-pyridyl)nicotinamide","Acta Crystallographica Section C","1996","52","2","438","441","10.1107/S0108270195012078","","","0.71073","MoKα","","0.157","0.049","","0.176","0.112","","","","0.731","0.951","0.951","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004488","7.995","0.002","12.483","0.002","11.32","0.002","90","","108.37","0.01","90","","1072.2","0.4","298","","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(3-pyridyl)-6-chloro-5-fluoronicotinamide","","- C11 H7 Cl F N3 O -","- C11 H7 Cl F N3 O -","- C44 H28 Cl4 F4 N12 O4 -","4","1","CR1196","Jethmalani, J. M.; Camp, A. G.; Soman, N. G.; Hawley, J. W.; Setliff, F. L.; Holt, E. M.","<i>N</i>-(4-Bromophenyl)-5,6-dichloronicotinamide and 6-Chloro-5-fluoro-<i>N</i>-(3-pyridyl)nicotinamide","Acta Crystallographica Section C","1996","52","2","438","441","10.1107/S0108270195012078","","","0.71073","MoKα","","0.0512","0.0398","","0.0671","0.0588","","","","","1.57","1.57","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004489","8.052","0.002","9.627","0.003","10.017","0.003","72.38","0.02","73.2","0.02","88.54","0.02","706.8","0.4","301","","301","","","","","","","","","3","P -1","-P 1","2","","dimethyl 2,2,6,6-tetramethyl-4-oxa-3,5-dioxoheptanedioate","","- C12 H18 O7 -","- C12 H18 O7 -","- C24 H36 O14 -","2","1","CR1201","Graham, J. E.; Bunce, R. A.; Holt, E. M.","Dimethyl 2,2,6,6-Tetramethyl-3,5-dioxo-4-oxaheptanedioate","Acta Crystallographica Section C","1996","52","2","436","438","10.1107/S0108270195012066","","","0.71073","MoKα","","0.0579","0.0406","","0.0602","0.0516","","","","","1.15","1.15","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004490","23.593","0.001","7.0418","0.0004","14.8968","0.0006","90","","117.422","0.004","90","","2196.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(o-phénylènediammonium) cyclo-Tétraphosphate Dihydrate","","- C12 H24 N4 O14 P4 -","- C12 H24 N4 O14 P4 -","- C48 H96 N16 O56 P16 -","4","0.5","DU1114","Soumhi, E. H.; Jouini, T.","Bis(<i>o</i>-phénylènediammonium) <i>cyclo</i>-Tétraphosphate Dihydrate","Acta Crystallographica Section C","1996","52","2","432","433","10.1107/S010827019500309X","","","0.71069","MoKα","","0.0477","0.0404","","0.1072","0.1027","","","","1.134","1.171","1.171","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:26",""
"2004491","15.204","0.002","6.1593","0.0005","5.3998","0.0004","90","","105.401","0.009","90","","487.51","0.09","293","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","potassium manganese(II) hydroxy-vanadate","","- H2 K2 Mn3 O10 V2 -","- H2 K2 Mn3 O10 V2 -","- H4 K4 Mn6 O20 V4 -","2","0.25","DU1128","Liao, J.-H.; Guyomard, D.; Piffard, Y.; Tournoux, M.","K~2~Mn~3~(OH)~2~(VO~4~)~2~, a New Two-Dimensional Potassium Manganese(II) Hydroxyvanadate","Acta Crystallographica Section C","1996","52","2","284","286","10.1107/S0108270195010559","","","0.71073","MoKα","","0.052","0.04","","0.048","0.046","","","","1.82","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004492","8.1678","0.0009","9.226","0.001","8.6395","0.0008","90","","109.678","0.008","90","","613.02","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","potassium manganese(II) polyvanadate","","- K2 Mn O12 V4 -","- K2 Mn O12 V4 -","- K4 Mn2 O24 V8 -","2","0.5","DU1131","Liao, J.-H.; Sigala, C.; Guyomard, D.; Piffard, Y.","K~2~Mn(VO~3~)~4~, a New Three-Dimensional Potassium Manganese(II) Polyvanadate","Acta Crystallographica Section C","1996","52","2","283","284","10.1107/S0108270195012509","","","0.71073","MoKα","","0.054","0.037","","0.039","0.034","","","","1.13","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004493","4.461","0.001","7.044","0.001","7.346","0.001","80.75","0.01","73.85","0.01","81.78","0.01","217.66","0.07","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","Diphosphorus Tetraiodide","","- I4 P2 -","- I4 P2 -","- I4 P2 -","1","0.5","DU1134","Žák, Z.; Černík, M.","Diphosphorus Tetraiodide at 120K","Acta Crystallographica Section C","1996","52","2","290","291","10.1107/S0108270195012510","","","0.71073","MoKα","","0.0348","0.0316","","0.1045","0.0915","","","","1.212","1.234","1.234","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004494","14.13","0.003","13.071","0.006","14.831","0.003","90","","90.33","0.02","90","","2739.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexa(paraphénolammonium) cyclo-Hexaphosphate Octahydrate","","- C36 H64 N6 O32 P6 -","- C36 H64 N6 O32 P6 -","- C72 H128 N12 O64 P12 -","2","0.5","DU1139","Soumhi, E. H.; Jouini, T.","Hexa(<i>para</i>-phénolammonium) <i>cyclo</i>-Hexaphosphate Octahydrate","Acta Crystallographica Section C","1996","52","2","434","436","10.1107/S0108270195011528","","","0.71069","MoKα","","0.0593","0.0358","","0.1114","0.0808","","","","1.231","1.006","1.006","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004495","5.992","0.001","23.577","0.009","6.563","0.002","90","","104.35","0.02","90","","898.2","0.5","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Au Cl N6 P2 -","- C12 H24 Au Cl2 N6 P2 -","- C24 H48 Au2 Cl4 N12 P4 -","2","0.5","FG1043","Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P.","Bis(1,3,5-triaza-7-phosphaadamantane-<i>P</i>)gold(I) Chloride","Acta Crystallographica Section C","1996","52","2","305","307","10.1107/S0108270195008183","","","0.71073","MoKα","","","0.0585","","","0.1103","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004496","8.027","0.001","12.368","0.001","12.017","0.001","90","","102.55","0.01","90","","1164.5","0.2","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cd N6 S2 -","- C16 H36 Cd N6 S2 -","- C32 H72 Cd2 N12 S4 -","2","0.5","FG1048","Pariya, C.; Chaudhuri, N. R.; Seth, S.; Das, A.","Bis(<i>N</i>^1^-isopropyl-2-methylpropane-1,2-diamine)diisothiocyanatocadmium(II)","Acta Crystallographica Section C","1996","52","2","358","360","10.1107/S0108270195008195","","","1.5418","CuKα","","","0.05","","","0.059","","","","","1.086","1.086","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004497","10.856","0.003","15.051","0.002","10.407","0.002","97.3","0.02","103.21","0.02","96.04","0.02","1626.1","0.6","220","","220","","","","","","","","","7","P -1","-P 1","2","(±)-cis-dichloro{(isopropylamino)([1,1'-binaphthyl]-2,2'-dioxy)-phosphane} (triethylphosphine)platinum (II)","","","- C30 H37 Cl4 N O2 P2 Pt -","- C30 H37 Cl4 N O2 P2 Pt -","- C60 H74 Cl8 N2 O4 P4 Pt2 -","2","1","FG1071","Parvez, M.; Babu, R. P. K.; Krishnamurthy, S. S.","(±)-<i>cis</i>-Dichloro[<i>P</i>-(isopropylamino)dinaphtho[2,1-<i>d</i>:1',2'-<i>f</i>][1,3,2]dioxaphosphepine](triethylphosphine)platinum(II) Dichloromethane Solvate","Acta Crystallographica Section C","1996","52","2","333","336","10.1107/S010827019500922X","","","0.71069","MoKα","","","0.039","","","0.037","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004498","10.332","0.002","7.69","0.003","15.406","0.002","90","","92.77","0.01","90","","1222.6","0.6","295","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","Tetraphenylphosphonium tri-iodide","","","- C24 H20 I3 P -","- C24 H20 I3 P -","- C48 H40 I6 P2 -","2","0.5","FG1087","Parvez, M.; Wang, M.; Boorman, P. M.","Tetraphenylphosphonium Triiodide","Acta Crystallographica Section C","1996","52","2","377","378","10.1107/S0108270195010456","","","0.71069","MoKα","","","0.023","","","0.022","","","","","1.4","1.4","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004499","9.506","0.001","4.725","0.001","19.166","0.008","90","","91.79","0.01","90","","860.4","0.4","296","2","296","","","","","","","","","5","P 1 21 1","P 2yb","4","iodoindomethacin","1-(4-iodobenzoyl)-5-methoxy-2-methylindole-3-acetic acid","","- C19 H16 I N O4 -","- C19 H16 I N O4 -","- C38 H32 I2 N2 O8 -","2","1","FG1089","Loll, P. J.; Garavito, R. M.; Carrell, C. J.; Carrell, H. L.","1-(4-Iodobenzoyl)-5-methoxy-2-methyl-3-indoleacetic Acid, an Iodinated Indomethacin Analog","Acta Crystallographica Section C","1996","52","2","455","457","10.1107/S0108270195010468","","","0.71073","MoKα","","0.0482","0.0335","","0.0813","0.0786","","","","1.003","1.11","1.11","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004500","6.855","0.002","7.606","0.002","13.587","0.003","75.01","0.02","87.88","0.02","70.56","0.02","644.4","0.3","295","1.5","","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H4 N2 S6 -","- C10 H4 N2 S6 -","- C20 H8 N4 S12 -","2","1","HU1079","Zhong, Z. J.; You, X.-Z.; Yu, K.","4,5-Dicyano-4',5'-ethylenedithiotetrathiafulvalene (CNET): a New Unsymmetrical TTF Derivative","Acta Crystallographica Section C","1996","52","2","449","451","10.1107/S0108270195009942","","","0.71073","MoKα","","","0.0367","","","0.035","","","","","1.433","1.433","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004501","5.189","0.001","5.886","0.001","16.223","0.003","90","","91.06","0.03","90","","495.41","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-furancarboxylic acid","","- C5 H4 O3 -","- C5 H4 O3 -","- C20 H16 O12 -","4","1","JZ1035","Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.","The Role of C—H···O Bonds in Stabilizing 3-Furancarboxylic Acid and its Complexes with Calcium and Strontium","Acta Crystallographica Section C","1996","52","2","342","347","10.1107/S0108270195003246","","","1.54178","CuKα","","0.0342","0.0342","","0.092","0.092","","","","1.118","1.118","1.118","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004502","7.108","0.001","29.295","0.006","6.565","0.001","90","","91.88","0.03","90","","1366.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-(Triaqua-(3-furancarboxylato)calcium 3-furancarboxylate)","","- C10 H12 Ca O9 -","- C10 H12 Ca O9 -","- C40 H48 Ca4 O36 -","4","1","JZ1035","Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.","The Role of C—H···O Bonds in Stabilizing 3-Furancarboxylic Acid and its Complexes with Calcium and Strontium","Acta Crystallographica Section C","1996","52","2","342","347","10.1107/S0108270195003246","","","1.54178","CuKα","","0.0458","0.0454","","0.1316","0.1243","","","","1.063","1.023","1.023","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004503","7.286","0.0001","28.853","0.006","6.797","0.0001","90","","91.82","0.03","90","","1428.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","catena-(Triaqua-(3-furancarboxylato)strontium 3-furancarboxylate)","","- C10 H12 O9 Sr -","- C10 H12 O10 Sr -","- C40 H48 O40 Sr4 -","4","1","JZ1035","Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.","The Role of C—H···O Bonds in Stabilizing 3-Furancarboxylic Acid and its Complexes with Calcium and Strontium","Acta Crystallographica Section C","1996","52","2","342","347","10.1107/S0108270195003246","","","1.54178","CuKα","","0.0559","0.0544","","0.1416","0.1366","","","","0.992","0.994","0.994","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004504","21.604","0.008","8.788","0.004","22.082","0.01","90","","91.45","0.03","90","","4191","3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(bismethanol)(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III) perchlorate","","- C40 H60 Cl Fe N4 O8 -","- C40 H56 Cl Fe N4 O8 -","- C160 H224 Cl4 Fe4 N16 O32 -","4","0.5","JZ1038","Senge, M. O.","Bis(methanol-<i>O</i>)(2,3,7,8,12,13,17,18-octaethylporphyrinato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')iron(III) Perchlorate Bis(methanol) Solvate, [Fe^III^(oep)(HOCH~3~)~2~](ClO~4~).2CH~3~OH","Acta Crystallographica Section C","1996","52","2","302","305","10.1107/S0108270195006068","","","0.71073","MoKα","","0.1118","0.0672","","0.1798","0.1501","","","","1.035","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004505","18.262","0.004","12.956","0.007","26.52","0.02","90","","90.4","0.03","90","","6275","6","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C10 H6 Ca O6 -","- C10 H6 Ca O6 -","- C240 H144 Ca24 O144 -","24","6","JZ1058","Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.","Carboxylate and Furan-Ring Oxygen Bonded to Calcium in Polymeric Calcium Furoate","Acta Crystallographica Section C","1996","52","2","347","351","10.1107/S0108270195009553","","","1.54183","CuKα","","0.2021","0.0548","","0.1483","0.1156","","","","0.93","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004506","13.113","0.003","13.315","0.003","7.405","0.002","90","","90","","91.39","0.03","1292.5","0.5","299","2","299","2","","","","","","","","5","P 1 1 2/n","-P 2ab","13","","Tetraphenylphosphonium-pentachlorostannat","","- C24 H20 Cl5 P Sn -","- C24 H20 Cl5 P Sn -","- C48 H40 Cl10 P2 Sn2 -","2","0.5","JZ1063","Müller, U.; Siekmann, J. Frenzen","Tetraphenylphosphonium Pentachlorostannat, PPh~4~[SnCl~5~], und Tetraphenylphosphonium Pentachlorostannat Monohydrat, PPh~4~[SnCl~5~.H~2~O]","Acta Crystallographica Section C","1996","52","2","330","333","10.1107/S0108270195011073","","","0.71073","MoKα","","0.0753","0.0496","","0.1905","0.1437","","","","0.141","0.123","0.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004507","13.173","0.001","13.173","0.001","7.59","0.001","90","","90","","90","","1317.1","0.2","299","2","299","2","","","","","","","","6","P 4/n","-P 4a","","","Tetraphenylphosphonium-pentachlorostannat-monohydrat","","- C24 H22 Cl5 O P Sn -","- C24 H22 Cl5 O P Sn -","- C48 H44 Cl10 O2 P2 Sn2 -","2","","JZ1063","Müller, U.; Siekmann, J. Frenzen","Tetraphenylphosphonium Pentachlorostannat, PPh~4~[SnCl~5~], und Tetraphenylphosphonium Pentachlorostannat Monohydrat, PPh~4~[SnCl~5~.H~2~O]","Acta Crystallographica Section C","1996","52","2","330","333","10.1107/S0108270195011073","","","0.71073","MoKα","","0.0928","0.0405","","0.1504","0.1201","","","","0.993","0.98","0.98","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2004508","9.502","0.002","11.252","0.002","11.602","0.002","102.98","0.02","113.68","0.02","106.92","0.02","1000.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-dichlorobis(tris(pentafluorophenyl)phosphane)palladium(II)","","- C36 Cl2 F30 P2 Pd -","- C36 Cl2 F30 P2 Pd -","- C36 Cl2 F30 P2 Pd -","1","0.5","JZ1069","Bertsch-Frank, B.; Frank, W.","<i>trans</i>-Dichlorobis[tris(pentafluorophenyl)phosphane]palladium(II)","Acta Crystallographica Section C","1996","52","2","328","330","10.1107/S0108270195011061","","","0.71069","MoKα","","0.0961","0.0516","","0.0727","0.0656","","","","1.239","1.402","1.402","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004509","8.708","0.002","9.047","0.002","12.961","0.003","72.4","0.03","84.61","0.03","77.36","0.03","949.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Mo O7 W -","- C18 H16 Mo O7 W -","- C36 H32 Mo2 O14 W2 -","2","1","JZ1070","Frank, W.; Kreiter, C. G.; Reiß, G. J.","Hexacarbonyl(η^5:1^-2-cyclopentadienediylethyl)(μ-η^1:3^-1-ethoxy-2-propenylidene)molybdenumtungsten","Acta Crystallographica Section C","1996","52","2","356","358","10.1107/S0108270195009577","","","0.71069","MoKα","","0.0322","0.024","","0.0495","0.0483","","","","1.625","1.678","1.678","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004510","10.134","0.001","18.154","0.001","8.518","0.001","90","","103.44","0.01","90","","1524.2","0.3","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","JZ1075","Pietz, S.; Haufe, G.; Fröhlich, R.; Grehl, M.","<i>syn</i>-1,5-Dimethylbicyclo[3.2.1]oct-8-yl <i>N</i>-Phenylcarbamate","Acta Crystallographica Section C","1996","52","2","469","470","10.1107/S0108270195011796","","","1.54178","CuKα","","0.045","0.038","","0.103","0.096","","","","","1.004","1.004","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004511","11.314","0.0006","10.872","0.001","14.74","0.002","90","0.009","90.369","0.007","90","0.006","1813.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Methylenedipyridinium 1-Iodo-nonahydro-closo-decaborate","","- C11 H21 B10 I N2 -","- C11 H21 B10 I N2 -","- C44 H84 B40 I4 N8 -","4","1","JZ1085","Nachtigal, C.; Preetz, W.","Dipyridiniomethane 1-Iodo-<i>closo</i>-decaborate, [(C~5~H~5~N)~2~CH~2~][1-IB~10~H~9~]","Acta Crystallographica Section C","1996","52","2","453","455","10.1107/S0108270195012340","","","0.71069","MoKα","","0.0805","0.035","","0.0992","0.0736","","","","1.189","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004512","8.815","0.002","10.154","0.002","17.277","0.004","76.49","0.02","87.98","0.02","74.55","0.02","1448.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(dimethylglyoximato-N,N')(triphenylphosphine)(isopropyl)rhodium(III)","","- C29 H35 N4 O4 P Rh -","- C29 H29 N4 O4 P Rh -","- C58 H58 N8 O8 P2 Rh2 -","2","1","KA1124","Dunaj-Jurčo, M.; Mikloš, D.; Potočňák, I.; Ludwig, M.; Steinborn, D.","Bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(isopropyl)(triphenylphosphine)rhodium(III)","Acta Crystallographica Section C","1996","52","2","315","317","10.1107/S0108270195007475","","","0.71069","MoKα","","0.0582","0.0469","","0.1322","0.1256","","","","1.023","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004513","9.463","0.005","42.025","0.004","9.089","0.004","90","","90","","90","","3615","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O7 -","- C17 H23 N O7 -","- C136 H184 N8 O56 -","8","2","KA1127","Böcskei, Z.; Keserü, G. M.; Menyhárd, D.; Huszthy, P.; Bradshaw, J. S.; Izatt, R. M.","Conformational Analysis of (<i>S</i>,<i>S</i>)-Dimethyldiketopyridino-18-crown-6","Acta Crystallographica Section C","1996","52","2","463","466","10.1107/S0108270195011346","","","1.5418","CuKα","","0.1589","0.0574","","0.3983","0.1682","","","","1.155","1.282","1.282","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004514","27.7","0.003","7.63","0.004","12.382","0.001","90","","90","","90","","2616.9","1.4","293","2","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","2","KA1129","Lakshmi, S.; Subramanian, K.; Koellner, G.; Steiner, Th.; Rajagopalan, K.","7β-Hydroxy-7α-(3-propargyl)-3-methylspiro[5.5]undec-2-en-1-one","Acta Crystallographica Section C","1996","52","2","405","407","10.1107/S0108270195011334","","","1.54184","CuKα","","","0.047","","","0.1182","","","","","1.126","1.126","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004515","12.068","0.001","13.137","0.001","15.374","0.001","66.76","0.01","89.16","0.01","68.82","0.01","2064.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,3,5,6-1H,4H-Tetrahydro-8-trifluoromethylquinolizino[9,9a,1-gh]coumarin","","- C16 H14 F3 N O2 -","- C16 H14 F3 N O2 -","- C96 H84 F18 N6 O12 -","6","3","KH1030","Yip, B.-C.; Moo, F.-M.; Lok, K.-S.; Fun, H.-K.; Sivakumar, K.","A Second Triclinic Polymorph of Coumarin 153","Acta Crystallographica Section C","1996","52","2","477","481","10.1107/S0108270195011668","","","0.71073","MoKα","","0.0688","0.0419","","0.1332","0.1224","","","","0.934","1.136","1.136","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004516","9.163","0.001","8.37","0.001","21.786","0.003","90","","96.95","0.02","90","","1658.6","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","KH1052","Ravikumar, K.; Mohan, K. C.; Roy, S.; Singh, A. K.","A Key Intermediate in the Synthesis of Pentamidine: 4,4'-[1,5-Pentanediylbis(oxy)]bisbenzonitrile","Acta Crystallographica Section C","1996","52","2","403","405","10.1107/S0108270195011966","","","0.71073","MoKα","","","0.043","","","0.049","","","","","0.93","0.93","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004517","12.681","0.007","7.261","0.004","16.654","0.009","90","","93.65","0.02","90","","1530.3","1.5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-2-(1-indenyl)ethyl-toluenesulfonamide","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","KH1057","Gainsford, G. J.; Lensink, C.","<i>N</i>-[2-(1-3<i>H</i>-Indenyl)ethyl]-<i>p</i>-toluenesulfonamide","Acta Crystallographica Section C","1996","52","2","472","474","10.1107/S0108270195013011","","","0.71073","MoKα","","0.0731","0.0454","","0.1053","0.0925","","","","1.044","1.083","1.083","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004518","36.71","0.04","5.754","0.007","11.22","0.02","90","","99.85","0.07","90","","2335","6","150","1","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H21 F3 O9 S -","- C22 H21 F3 O9 S -","- C88 H84 F12 O36 S4 -","4","1","LI1139","Barnes, J. C.; Brimacombe, J. S.; Kabir, A. K. M. S.","Methyl 3-<i>O</i>-Benzoyl-4,6-<i>O</i>-benzylidene-2-<i>O</i>-trifluoromethylsulfonyl-α-<small>D</small>-mannopyranoside","Acta Crystallographica Section C","1996","52","2","416","418","10.1107/S0108270195012339","","","0.71073","MoKα","","0.1675","0.053","","0.168","0.0875","","","","0.61","0.912","0.912","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004519","12.847","0.002","15.196","0.003","20.57","0.004","94.61","0.02","90.07","0.02","114.53","0.02","3638.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H60 Cr2 N2 O10 P4 -","- C82 H60 Cr2 N2 O10 P4 -","- C164 H120 Cr4 N4 O20 P8 -","2","1","MU1169","Lee, I.; Geib, S. J.; Cooper, N. J.","[PPN]~2~[Cr~2~(CO)~10~], a Salt of the Dimeric Cr^1{-^} Carbonyl Complex Without a Coordinating Counterion","Acta Crystallographica Section C","1996","52","2","292","294","10.1107/S0108270195001454","","","0.71073","MoKα","","0.0813","0.039","","0.2229","0.0783","","","","0.765","1.001","1.001","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004520","13.818","0.001","13.818","0.001","27.285","0.003","90","","90","","90","","5209.7","0.8","295","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C57 H38 Cl2 O12 Pb -","- C57 H36 Cl2 O12 Pb -","- C228 H144 Cl8 O48 Pb4 -","4","0.25","MU1180","Prout, K.; Vaughan-Lee, D.; Moloney, M. G.; Prottey, S. C.","Tetrakis(<i>o</i>-benzoylbenzoato-<i>O</i>,<i>O</i>')lead(IV) Dichloromethane Solvate","Acta Crystallographica Section C","1996","52","2","351","354","10.1107/S0108270195007785","","","0.71073","MoKα","","","0.0447","","","0.0464","","","","","1.21","1.21","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004521","7.92","0.002","12.929","0.003","12.177","0.002","90","","94.86","0.03","90","","1242.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sodium hexanitroruthenate(II) monohydrate","sodium hexanitroruthenate(II) monohydrate","","- H2 N6 Na4 O13 Ru -","- H2 N6 Na4 O13 Ru -","- H8 N24 Na16 O52 Ru4 -","4","0.5","MU1193","Gromilov, S. A.; Alekseev, V. I.; Emelyanov, V. A.; Baidina, I. A.","Sodium Hexanitroruthenate(II) Monohydrate","Acta Crystallographica Section C","1996","52","2","288","290","10.1107/S0108270195012042","","","0.71069","MoKα","","0.0208","0.0179","","0.0437","0.0433","","","","0.897","0.96","0.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004522","8.42","0.002","14.796","0.002","19.504","0.0001","90","","96.22","0.01","90","","2415.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium Bis(1,3-dithiol-2-thione/selone-4,5-dithioate) Nickel (II)","","- C38 H72 N2 Ni S9.34 Se0.66 -","- C38 H72 N2 Ni S9.348 Se0.652 -","- C76 H144 N4 Ni2 S18.696 Se1.304 -","2","0.5","MU1199","Fun, H.-K.; Sivakumar, K.; Zuo, J.-L.; Yao, T.-M.; You, X.-Z.","A 2:1 Mixture of Tetrabutylammonium Bis(4,5-dimercapto-1,3-dithiole-2-thionato)nickelate(II) and its 2-Selenone Analogue","Acta Crystallographica Section C","1996","52","2","312","315","10.1107/S0108270195010754","","","0.71073","MoKα","","0.0448","0.0335","","0.0969","0.0921","","","","1.07","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004523","7.58","0.001","7.912","0.001","17.423","0.003","90","","90","","90","","1044.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Dimethyl-3-tolyl thiourea.","","- C10 H14 N2 S -","- C10 H14 N2 S -","- C40 H56 N8 S4 -","4","1","MU1206","Ramnathan, A.; Sivakumar, K.; Janarthanan, N.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","Unsymmetrically Substituted Thioureas. 1,1-Dimethyl-3-<i>o</i>-tolylthiourea and 1,1-Diethyl-3-<i>o</i>-tolylthiourea","Acta Crystallographica Section C","1996","52","2","411","414","10.1107/S0108270195010778","","","0.71073","MoKα","","0.066","0.0402","","0.0919","0.0849","","","","0.887","1.016","1.016","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004524","8.436","0.001","8.488","0.001","17.419","0.003","90","","90","","90","","1247.3","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Diethyl-3-tolyl thiourea.","","- C12 H18 N2 S -","- C12 H18 N2 S -","- C48 H72 N8 S4 -","4","1","MU1206","Ramnathan, A.; Sivakumar, K.; Janarthanan, N.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","Unsymmetrically Substituted Thioureas. 1,1-Dimethyl-3-<i>o</i>-tolylthiourea and 1,1-Diethyl-3-<i>o</i>-tolylthiourea","Acta Crystallographica Section C","1996","52","2","411","414","10.1107/S0108270195010778","","","0.71073","MoKα","","0.032","0.0291","","0.0792","0.0774","","","","1.048","1.068","1.068","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004525","20.66","0.002","7.706","0.001","29.217","0.004","90","","90","","90","","4651.5","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","αββα-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran","","- C24 H32 O7 -","- C24 H32 O7 -","- C192 H256 O56 -","8","1","MU1215","Fun, H.-K.; Sivakumar, K.; Yip, B.-C.; Othman, A. H.; Said, I. M.","αββα-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran","Acta Crystallographica Section C","1996","52","2","414","416","10.1107/S0108270195012054","","","0.71073","MoKα","","0.0824","0.047","","0.2237","0.1343","","","","0.935","1.037","1.037","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004526","10.069","0.003","14.545","0.002","16.784","0.002","90","","90.59","0.02","90","","2457.9","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(diethylditiocarbamato)iodo-4-methoxyphenyltellurium(IV)","","- C17 H27 I N2 O S4 Te -","- C17 H27 I N2 O S4 Te -","- C68 H108 I4 N8 O4 S16 Te4 -","4","1","NA1148","Husebye, S.; Kudis, S.; Lindeman, S. V.","Bis(diethyldithiocarbamato)(iodo)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~I, and its Isomorphous Partially Bromine-Replaced Analogue, <i>p</i>-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~Br~0.41~I~0.59~","Acta Crystallographica Section C","1996","52","2","424","429","10.1107/S0108270195004902","","","0.71069","MoKα","","0.0498","0.0321","","0.0878","0.0836","","","","1.055","1.132","1.132","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004527","10.06","0.001","14.363","0.002","16.705","0.004","90","","90.63","0.01","90","","2413.6","0.7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(0.41Bromo/0.59Iodo)bis(diethyldithiocarbamato)-4-methoxyphenyltellurium(IV)","","- C17 H27 Br0.41 I0.59 N2 O S4 Te -","- C17 H27 Br0.41 I0.59 N2 O S4 Te -","- C68 H108 Br1.64 I2.36 N8 O4 S16 Te4 -","4","1","NA1148","Husebye, S.; Kudis, S.; Lindeman, S. V.","Bis(diethyldithiocarbamato)(iodo)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~I, and its Isomorphous Partially Bromine-Replaced Analogue, <i>p</i>-MeOC~6~H~4~Te(Et~2~NCS~2~)~2~Br~0.41~I~0.59~","Acta Crystallographica Section C","1996","52","2","424","429","10.1107/S0108270195004902","","","0.71069","MoKα","","0.0824","0.0435","","0.1337","0.0973","","","","1.097","1.212","1.212","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004528","9.156","0.005","13.324","0.002","17.564","0.002","90","","90.96","0.03","90","","2142.4","1.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bromobis(dimethyldithiocarbamato)-4-methoxyphenyltellurium(IV) dichloromethane hemisolvate","","- C13.45 H19.9 Br Cl0.9 N2 O S4 Te -","- C13.45 H19.9 Br Cl0.9 N2 O S4 Te -","- C53.8 H79.6 Br4 Cl3.6 N8 O4 S16 Te4 -","4","1","NA1149","Husebye, S.; Kudis, S.; Lindeman, S. V.","Bromobis(dimethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV) Dichloromethane Hemisolvate, <i>p</i>-MeOC~6~H~4~Te(Me~2~NCS~2~)~2~Br.0.5CH~2~Cl~2~","Acta Crystallographica Section C","1996","52","2","429","432","10.1107/S0108270195004914","","","0.71069","MoKα","","0.0848","0.0368","","0.0958","0.0775","","","","1.144","1.329","1.329","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004529","8.381","0.003","14.495","0.003","10.351","0.003","90","","105.35","0.02","90","","1212.6","0.6","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C48 H80 N8 O8 -","4","0.5","PA1162","Dromzee, Y.; Chiarelli, R.; Gambarelli, S.; Rassat, A.","Dupeyredioxyl (1,3,5,7-Tetramethyl-2,6-diazaadamantane-<i>N</i>,<i>N</i>'-dioxyl)","Acta Crystallographica Section C","1996","52","2","474","477","10.1107/S0108270195008286","","","0.71069","MoKα","","","0.035","","","0.031","","","","","3.2","3.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004530","11.1558","0.0008","11.574","0.001","9.68","0.002","90","","90","","90","","1249.9","0.3","293","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","0.5","PA1162","Dromzee, Y.; Chiarelli, R.; Gambarelli, S.; Rassat, A.","Dupeyredioxyl (1,3,5,7-Tetramethyl-2,6-diazaadamantane-<i>N</i>,<i>N</i>'-dioxyl)","Acta Crystallographica Section C","1996","52","2","474","477","10.1107/S0108270195008286","","","0.71069","MoKα","","","0.04","","","0.034","","","","","2.6","2.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004531","8.467","0.001","5.526","0.001","35.792","0.007","90","","90.29","0.01","90","","1674.6","0.5","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-(1-methylheptyloxycarbonyl)phenyl 4-heptyloxytolane-4'-carboxylate","","- C37 H44 O5 -","- C37 H44 O5 -","- C74 H88 O10 -","2","1","PA1193","Zareba, I.; Allouchi, H.; Cotrait, M.; Destrade, C.; Nguyen, H. T.","A Chiral Mesogenic Compound","Acta Crystallographica Section C","1996","52","2","441","444","10.1107/S0108270195008584","","","1.54178","CopperKα","","","0.064","","","0.074","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004532","11.6395","0.0009","5.9814","0.0006","13.6907","0.0009","90","","94.462","0.014","90","","950.26","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-Phenylethylaminium (S)-2-(6-methoxy-2-naphthyl)propionate","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","PA1198","Dupont, L.; Pirotte, B.; De Tullio, P.; Delarge, J.","Absolute Configuration of (<i>R</i>)-1-Phenylethylammonium (<i>S</i>)-2-(6-Methoxy-2-naphthyl)propionate","Acta Crystallographica Section C","1996","52","2","393","395","10.1107/S0108270195011954","","","1.5418","CuKα","","0.0564","0.0376","","0.0946","0.0879","","","","0.944","1.056","1.056","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:26",""
"2004533","11.9739","0.0012","10.2088","0.0011","14.662","0.002","90","","113.836","0.007","90","","1639.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Chloro-5-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,5]benzodiazepine","","- C17 H18 Cl N5 -","- C17 H18 Cl N5 -","- C68 H72 Cl4 N20 -","4","1","PA1200","Dupont, L.; Liégeois, J.-F.; Rogister, F.; Delarge, J.","8-Chloro-5-(4-methylpiperazin-1-yl)-11<i>H</i>-pyrido[2,3-<i>b</i>][1,5]benzodiazepine","Acta Crystallographica Section C","1996","52","2","391","393","10.1107/S0108270195011942","","","1.5418","CuKα","","0.0647","0.0425","","0.1313","0.1072","","","","0.965","1.101","1.101","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004534","14.542","0.002","16.565","0.0002","19.334","0.002","90","","90","","90","","4657.3","0.8","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 O10 -","- C52 H50 O10 -","- C208 H200 O40 -","4","1","PT1015","Shalaby, M. A.; Fronczek, F. R.; Voll, R. J.; Watkins, S. F.; Younathan, E. S.","2,3,4,5-Tetra-<i>O</i>-acetyl-1,6-di-<i>O</i>-(triphenylmethyl)-<small>D</small>-mannitol","Acta Crystallographica Section C","1996","52","2","381","383","10.1107/S0108270195013618","","","1.54184","CuKα","","","0.034","","","0.046","","","","","2.273","2.273","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004535","12.438","0.006","4.726","0.003","16.703","0.006","90","","92.5","0.02","90","","980.9","0.9","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bromacetyl salicylic acid","2-bromoacetoxy-benzoic acid","","- C9 H7 Br O4 -","- C9 H7 Br O4 -","- C36 H28 Br4 O16 -","4","1","PT1028","Loll, P. J.; Garavito, R. M.; Carrell, C. J.; Carrell, H. L.","2-Bromoacetoxybenzoic Acid, a Brominated Aspirin Analog","Acta Crystallographica Section C","1996","52","2","375","377","10.1107/S0108270195010390","","","0.71073","MoKα","","0.057","0.0413","","0.1114","0.1047","","","","0.961","1.117","1.117","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:26",""
"2004536","5.222","0.002","8.389","0.002","4.759","0.001","93.04","0.03","102.59","0.02","92.57","0.02","202.84","0.1","291","2","291","2","","","","","","","","4","P 1","P 1","1","","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","1","1","SX1004","Swenson, D. C.; Habermann, S. M.; Murphy, K. P.","Cyclo(<small>L</small>-alanyl-<small>L</small>-seryl).H~2~O and Cyclo(glycyl-<small>L</small>-seryl)","Acta Crystallographica Section C","1996","52","2","383","387","10.1107/S0108270195012248","","","0.7107","MoKα","","0.1051","0.0463","","0.1346","0.1017","","","","1.168","1.151","1.151","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004537","4.896","0.002","6.55","0.003","9.737","0.004","90","","90.8","0.04","90","","312.2","0.2","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H8 N2 O3 -","- C5 H8 N2 O3 -","- C10 H16 N4 O6 -","2","1","SX1004","Swenson, D. C.; Habermann, S. M.; Murphy, K. P.","Cyclo(<small>L</small>-alanyl-<small>L</small>-seryl).H~2~O and Cyclo(glycyl-<small>L</small>-seryl)","Acta Crystallographica Section C","1996","52","2","383","387","10.1107/S0108270195012248","","","0.7107","MoKα","","0.0462","0.03","","0.0877","0.0798","","","","1.093","1.074","1.074","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004538","8.678","0.007","16.19","0.01","11.53","0.01","90","","99","0.01","90","","1600","2","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Isoxazolidines","trans-phenyl(2-phenyl-1,6-dioxa-2-azaspiro[4.4]non-3-yl)methanone","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","SX1007","Niwayama, S.; You, Y.; Houk, K. N.; Khan, S. I.","Two Isoxazolidines","Acta Crystallographica Section C","1996","52","2","486","489","10.1107/S0108270195013692","","","1.5418","CuKα","","0.163","0.046","","0.091","0.051","","","","1.71","1.457","1.457","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:26",""
"2004539","10.181","0.004","28.9","0.01","10.071","0.002","90","","90","","90","","2963.2","1.7","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Isoxazolidines","(3α,3aα,6aα)-(hexahydro-2-phenylfuro[3,2-d]isoxazol-3-yl)phenylmethanone","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","SX1007","Niwayama, S.; You, Y.; Houk, K. N.; Khan, S. I.","Two Isoxazolidines","Acta Crystallographica Section C","1996","52","2","486","489","10.1107/S0108270195013692","","","1.5418","CuKα","","0.162","0.048","","0.111","0.059","","","","1.779","1.337","1.337","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:26",""
"2004540","13.66","0.003","8.94","0.002","23.207","0.007","90","","100.14","0.02","90","","2789.8","1.2","298","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H47 Cl Ir N O P2 -","- C23 H46 Cl Ir N O P2 -","- C92 H184 Cl4 Ir4 N4 O4 P8 -","4","1","SZ1010","Grotjahn, D. B.; Lo, H. C.; Groy, T. L.","Chlorohydrido[2(1<i>H</i>)-pyridonato-<i>N</i>,<i>O</i>]bis[tris(1-methylethyl)phosphine]iridium(III)","Acta Crystallographica Section C","1996","52","2","300","302","10.1107/S0108270195003507","","","0.71073","MoKα","","","0.0356","","","0.0472","","","","","0.83","0.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004541","15.899","0.001","12.272","0.002","10.618","0.001","90","","90","","90","","2071.7","0.4","293","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H29 N O2 -","- C24 H34 N O2 -","- C96 H136 N4 O8 -","4","0.5","SZ1019","Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Shanmugasundram, P. S.","3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione","Acta Crystallographica Section C","1996","52","2","481","483","10.1107/S0108270195010171","","","1.54184","CuKα","","","0.056","","","0.062","","","","","1.38","1.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004542","12.165","0.009","12.598","0.011","8.962","0.005","90","","94.84","0.05","90","","1368.6","1.7","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl I N O4 -","- C12 H9 Cl I N O4 -","- C48 H36 Cl4 I4 N4 O16 -","4","1","SZ1024","Kerrigan, J. E.; Powers, J. C.; VanDerveer, D.","4-Chloro-7-(iodoacetyl)amino-3-methoxyisocoumarin","Acta Crystallographica Section C","1996","52","2","451","453","10.1107/S0108270195010080","","","0.71073","MoKα","","","0.05","","","0.052","","","","","1.56","1.56","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004543","6.872","0.001","9.96","0.002","12.782","0.002","91.72","0.01","92.14","0.01","94.31","0.01","871.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Chloro(ethylenediamine)[6-phenylimidazo[2,1-b]thiazole]platinum(II) nitrate","","- C13 H16 Cl N5 O3 Pt S -","- C13 H16 Cl N5 O3 Pt S -","- C26 H32 Cl2 N10 O6 Pt2 S2 -","2","1","SZ1032","Arvanitis, G. M.; Griffitts, A. E.; Baffic, S. P.; Ho, D. M.","Chloro(ethylenediamine)(6-phenylimidazo[2,1-<i>b</i>]thiazole-<i>N</i>^7^)platinum(II) Nitrate","Acta Crystallographica Section C","1996","52","2","319","321","10.1107/S0108270195010067","","","0.71073","MoKα","","0.0292","0.023","","0.0522","0.0502","","","","1.059","1.077","1.077","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004544","12.3228","0.0013","13.0782","0.0006","11.6694","0.0012","98.505","0.006","105.878","0.008","106.988","0.006","1676.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-Methoxybenzemethanamine 2-[(2,3-di(p-tolyl)-5-methyl-1H-inden-1-ylidene) (p-tolyl)-methyl]-N,N,-dimethyl.","","- C42 H41 N O -","- C42 H41 N O -","- C84 H82 N2 O2 -","2","1","SZ1037","Fernández-G, J. M.; Solorzano-Maldonado, K.; Panneerselvam, K.; Rodríguez-Romero, A.; Soriano-García, M.","Dimethyl(2-{[2,3-di(<i>p</i>-tolyl)-5-methyl-1-indenylidene](<i>p</i>-tolyl)methyl}-5-methoxyphenylmethyl)amine","Acta Crystallographica Section C","1996","52","2","460","462","10.1107/S0108270195010146","","","1.54178","CuKα","","0.0902","0.0652","","0.2186","0.1704","","","","1.106","1.058","1.058","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004545","9.691","0.002","9.691","0.002","24.841","0.006","90","","90","","120","","2020.4","0.8","140","2","140","2","","","","","","","","3","P 32 2 1","P 32 2""","154","1,4-benzoquinonebis(1,2-diphenylethyleneketal)","1,4,9,12-Tetraoxa-2,3,10,11-tetraphenyldispiro[4.2.4.2]tetradeca-6,13-diene","","- C34 H28 O4 -","- C34 H28 O4 -","- C102 H84 O12 -","3","0.5","SZ1047","Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.; Ward, R. S.; Pelter, A.; Aalberg, L.","2,3,10,11-Tetraphenyl-1,4,9,12-tetraoxadispiro[4.2.4.2]tetradeca-6,13-diene","Acta Crystallographica Section C","1996","52","2","379","381","10.1107/S0108270195012327","","","0.71069","MoKα","","0.0442","0.0309","","0.0629","0.061","","","","0.892","0.982","0.982","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004546","7.638","0.002","10.603","0.003","14.364","0.005","107.63","0.02","94.57","0.02","107.12","0.02","1041.2","0.6","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N6 O3 -","- C22 H20 N6 O3 -","- C44 H40 N12 O6 -","2","1","TA1026","Yang, Q.-C.; Huang, D.-M.; Chen, H.-Y.; Tang, Y.-Q.","A 1:1 Molecular Complex of 1,5-Diphenylbiuret and Phenyl Carbamidonitrile","Acta Crystallographica Section C","1996","52","2","470","472","10.1107/S0108270195010900","","","0.71073","MoKα","","","0.0578","","","0.0637","","","","","2.45","2.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004547","18.472","0.004","13.207","0.002","13.592","0.002","90","","107.87","0.01","90","","3155.9","1","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Cl3 Cr N7 O12 -","- C24 H27 Cl3 Cr N7 O12 -","- C96 H108 Cl12 Cr4 N28 O48 -","4","1","TA1028","McLachlan, G. A.; Fallon, G. D.; Spiccia, L.","[Cr{tren(impy)~3~}](ClO~4~)~3~, where tren(impy)~3~ = N[CH~2~CH~2~N= C(H)(py)]~3~","Acta Crystallographica Section C","1996","52","2","309","312","10.1107/S0108270195008870","","","0.71073","MoKα","","","0.056","","","0.074","","","","","1.83","1.83","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004548","14.109","0.001","14.109","0.001","26.697","0.005","90","","90","","120","","4602.4","1","293","1","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H45 N5 O3 -","- C33 H45 N5 O3 -","- C198 H270 N30 O18 -","6","0.333333","TA1031","de Bruyn, P. J.; Gable, R. W.; Potter, A. C.; Solomon, D. H.","1:1 Adduct of Tris(4-hydroxy-3,5-dimethylbenzyl)amine and Hexamethylenetetramine","Acta Crystallographica Section C","1996","52","2","466","468","10.1107/S0108270195011127","","","0.71073","MoKα","","0.0468","0.0353","","0.0974","0.0916","","","","1.036","1.109","1.109","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004549","7.906","0.004","14.687","0.003","32.908","0.002","90","","92.05","0.02","90","","3819","2","213","1","213","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Br N O5 -","- C20 H22 Br N O5 -","- C160 H176 Br8 N8 O40 -","8","2","TA1039","Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.","An <i>ABC</i>-ring Analogue of Paclitaxel (Taxol^TM^)","Acta Crystallographica Section C","1996","52","2","370","372","10.1107/S0108270195010869","","","1.5418","CuKα","","0.0571","0.041","","0.0433","0.041","","","","","2.23","2.23","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004550","6.178","0.002","12.083","0.001","12.492","0.002","90","","91.73","0.02","90","","932.1","0.3","213.2","","213","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C48 H48 O8 -","4","1","TA1041","Banwell, M. G.; Hockless, D. C. R.; Walter, J. M.","4a-Phenylperhydro-1,4-dioxacyclopropa[<i>cd</i>]pentalene","Acta Crystallographica Section C","1996","52","2","368","369","10.1107/S0108270195010882","","","1.5418","CuKα","","","0.038","","","0.035","","","","","1.62","1.62","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004551","4.8061","0.001","13.262","0.004","14.195","0.004","90","","90","","90","","904.8","0.4","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Aza-9(10H)-acridone","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C48 H32 N8 O4 -","4","1","TA1053","Clark, G. R.; Squire, C. J.","4-Aza-9(10<i>H</i>)-acridone","Acta Crystallographica Section C","1996","52","2","366","368","10.1107/S0108270195011589","","","0.71069","MoKα","","0.135","0.073","","0.2109","0.1637","","","","1.108","1.178","1.178","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004552","8.587","0.001","10.39","0.001","19.707","0.003","81","0.01","86.96","0.01","69.11","0.01","1622.4","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","Sodium tetraphenylcyclopentadienylate bis(dimethoxyethane)","","- C37 H41 Na O4 -","- C37 H41 Na O4 -","- C74 H82 Na2 O8 -","2","1","AB1228","Näther, C.; Hauck, T.; Bock, H.","Sodium Tetraphenylcyclopentadienide Bis(dimethoxyethane)","Acta Crystallographica Section C","1996","52","3","570","572","10.1107/S0108270195010687","","","0.71073","MoKα","","0.0875","0.0522","","0.1532","0.13","","","","1.015","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004553","21.839","0.009","8.995","0.005","11.823","0.005","90","","95.91","0.04","90","","2310.2","1.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Br2 Co N2 O2 -","- C26 H18 Br2 Co N2 O2 -","- C104 H72 Br8 Co4 N8 O8 -","4","0.5","AB1229","Elmali, A.; Elerman, Y.; Svoboda, I.; Fuess, H.","<i>trans</i>-Bis[<i>N</i>-(4-bromophenyl)salicylaldiminato]cobalt(II)","Acta Crystallographica Section C","1996","52","3","553","554","10.1107/S0108270195011875","","","0.71069","MoKα","","0.0566","0.0334","","0.0924","0.0783","","","","1.057","1.053","1.053","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004554","15.1058","0.0006","7.5393","0.0002","6.6094","0.0003","90","","106.2","0.003","90","","722.84","0.05","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H4 Li2 O7 -","- C5 H4 Li2 O7 -","- C20 H16 Li8 O28 -","4","0.5","AB1272","Gonçalves, N. S.; Santos, P. S.; Vencato, I.","Lithium Croconate Dihydrate","Acta Crystallographica Section C","1996","52","3","622","624","10.1107/S0108270195011887","","","0.71073","Mo","","0.0517","0.0472","","","0.0513","","","","","0.884","0.884","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004555","13.479","0.005","10.197","0.003","13.954","0.005","90","","115.06","0.02","90","","1737.4","1.1","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H21 Cd N7 Ni O -","- C11 H21 Cd N6 Ni On2 -","- C44 H84 Cd4 N24 Ni4 On8 -","4","0.5","AB1281","Yuge, H.; Nishikiori, S.-I.; Iwamoto, T.","Double and Triple Interpenetrations of the Three-Dimensional Frameworks [Cd(mea)(daptn){Ni(CN)~4~}] and [Cd(mea)(dahxn){Ni(CN)~4~}].H~2~O (mea = 2-Aminoethanol, daptn = 1,5-Diaminopentane, dahxn = 1,6-Diaminohexane)","Acta Crystallographica Section C","1996","52","3","575","578","10.1107/S0108270195011899","","","0.71069","MoKα","","","0.0379","","","0.0529","","","","","1.359","1.359","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004556","9.247","0.002","13.434","0.006","16.367","0.003","90","","105.6","0.02","90","","1958.3","1.1","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H25 Cd N7 Ni O2 -","- C12 H25 Cd N6 Ni O On2 -","- C48 H100 Cd4 N24 Ni4 O4 On8 -","4","0.5","AB1281","Yuge, H.; Nishikiori, S.-I.; Iwamoto, T.","Double and Triple Interpenetrations of the Three-Dimensional Frameworks [Cd(mea)(daptn){Ni(CN)~4~}] and [Cd(mea)(dahxn){Ni(CN)~4~}].H~2~O (mea = 2-Aminoethanol, daptn = 1,5-Diaminopentane, dahxn = 1,6-Diaminohexane)","Acta Crystallographica Section C","1996","52","3","575","578","10.1107/S0108270195011899","","","0.71069","MoKα","","","0.0431","","","0.0443","","","","","1.172","1.172","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004557","9.001","0.001","10.321","0.001","25.121","0.002","90","","94.85","0.01","90","","2325.4","0.4","293","1","293","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Dicyclopropyl-2-(1',2',3'-triphenylcyclopropen-3-yl)-propane-1,3-dione","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","AB1296","Kopf, J.; Bretzke, C.; Domnin, I. N.; Plotkin, V. N.","1,3-Dicyclopropyl-2-(1,2,3-triphenylcyclopropen-3-yl)propane-1,3-dione: a Substituted Cyclopropene with a β-Dicarbonyl Fragment","Acta Crystallographica Section C","1996","52","3","722","724","10.1107/S0108270195012959","","","1.54178","CuKα","","0.0504","0.0482","","0.142","0.1397","","","","1.049","1.07","1.07","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:26",""
"2004558","10.882","0.001","10.367","0.001","15.778","0.001","90","","99.39","0.01","90","","1756.1","0.3","293","1","293","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-(2,2-Dimethyl-1,3-propanedioyl)-5,5,5',5'-tetramethyl- bis-(1H-pyrrole)-2,2'(5H,5'H)-dione","","- C17 H22 N2 O4 -","- C17 H22 N2 O4 -","- C68 H88 N8 O16 -","4","1","AB1302","Kopf, J.; Wrobel, M. N.; Margaretha, P.","1,3-Bis(2,5-dihydro-5,5-dimethyl-2-oxo-1-pyrrolyl)-2,2-dimethyl-1,3-propanedione","Acta Crystallographica Section C","1996","52","3","672","674","10.1107/S0108270195012960","","","1.54178","CuKα","","0.0456","0.0437","","0.1334","0.1297","","","","1.115","1.121","1.121","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004559","7.381","0.001","32.096","0.002","7.884","0.001","90","","94.94","0.11","90","","1860.8","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","","","heroin","7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate","","- C21 H23 N O5 -","- C21 H23 N O5 -","- C84 H92 N4 O20 -","4","2","AB1311","Deschamps, J. R.; George, C.; Flippen-Anderson, J. L.","A Diacetylmorphine Polymorph","Acta Crystallographica Section C","1996","52","3","698","700","10.1107/S0108270195013503","","","1.54178","CuKα","","0.0595","0.0481","","0.1384","0.1262","","","","1.006","1.011","1.011","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004560","9.1029","0.0014","11.395","0.002","17.49","0.002","90","","104.953","0.01","90","","1752.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(trifluoromethyl)triphenylphosphinegold(I)","","- C19 H15 Au F3 P -","- C19 H15 Au F3 P -","- C76 H60 Au4 F12 P4 -","4","1","AB1330","Flörke, U.; Haupt, H.-J.; Jones, P. G.","Trifluoromethyl(triphenylphosphine)gold(I)","Acta Crystallographica Section C","1996","52","3","609","611","10.1107/S0108270195014880","","","0.71073","MoKα","","0.0317","0.0227","","0.0514","0.0496","","","","0.924","0.994","0.994","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004561","9.843","0.002","13.153","0.005","18.517","0.006","87.33","0.04","78.26","0.02","84.45","0.02","2335.3","1.3","294","1","294","1","","","","","","","","5","P -1","-P 1","2","Tris(triphenylsilyl)arsenite","Tris(triphenylsilyl)arsenite","","- C54 H45 As O3 Si3 -","- C54 H45 As O3 Si3 -","- C108 H90 As2 O6 Si6 -","2","1","AB1333","Ferguson, G.; Pollock, J. W.; O'Leary, B.; Spalding, T. R.","Tris(triphenylsilanolato)arsenite(III)","Acta Crystallographica Section C","1996","52","3","619","622","10.1107/S0108270195015629","","","0.7107","MolybdenumKα","","0.0572","0.0386","","0.1133","0.1072","","","","1.087","1.185","1.185","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004562","9.53","0.003","10.268","0.002","13.235","0.003","70.34","0.02","86.15","0.02","84.81","0.02","1213.7","0.5","294","1","294","1","","","","","","","","6","P -1","-P 1","2","","5,5-bis(dimethylphenylphosphine)-arachno-4,6-dithia-5-palladanonaborane","","- C16 H30 B6 P2 Pd S2 -","- C16 H30 B6 P2 Pd S2 -","- C32 H60 B12 P4 Pd2 S4 -","2","1","AB1335","Ferguson, G.; McCarthy, D. E.; Spalding, T. R.; Kennedy, J. D.","5,5-Bis(dimethylphenylphosphine)-4,6-dithia-5-pallada-<i>arachno</i>-nonaborane","Acta Crystallographica Section C","1996","52","3","548","550","10.1107/S0108270195015952","","","0.7107","MolybdenumKα","","0.071","0.038","","0.0913","0.0837","","","","1","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004563","11.478","0.003","13.027","0.003","17.55","0.004","90","","101.29","0.02","90","","2573.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(triethylamine) Octamolybdate(VI) dihydrate","","- C24 H68 Mo8 N4 O28 -","- C24 H68 Mo8 N4 O28 -","- C48 H136 Mo16 N8 O56 -","2","0.5","AS1175","Fun, H.-K.; Yip, B.-C.; Niu, J.-Y.; You, X.-Z.","Tetrakis(triethylammonium) Octamolybdate(VI) Dihydrate","Acta Crystallographica Section C","1996","52","3","506","509","10.1107/S0108270195011747","","","0.71073","MoKα","","0.0364","0.0337","","0.0938","0.0925","","","","1.174","1.21","1.21","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004564","15.223","0.006","9.321","0.003","18.792","0.006","90","","104.77","0.02","90","","2578.4","1.6","260","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 Co N4 S3 -","- C23 H32 Co N4 S3 -","- C92 H128 Co4 N16 S12 -","4","1","AS1185","Yu, P.; Zhuang, B.; Huang, L.; Pan, B.","Tetraethylammonium Tris(pyridine-2-thiolato-<i>S</i>,<i>N</i>)cobalt(II), (Et~4~N)[Co(2-S-C~5~H~4~N)~3~]","Acta Crystallographica Section C","1996","52","3","630","632","10.1107/S0108270195010596","","","0.71069","MoKα","","","0.038","","","0.054","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004565","10.0284","0.001","15.7731","0.0013","15.6012","0.0015","114.715","0.008","102.418","0.014","78.189","0.009","2170.9","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","ap-8-chrolo-1,4-dimetyl-9-(2-methylbenzyl)triptycene","","- C30 H25 Cl -","- C30 H25 Cl -","- C120 H100 Cl4 -","4","2","AS1189","Nemoto, T.; Ohashi, Y.; Yamamoto, G.","<i>ap</i>-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene and <i>sc</i>*(9<i>S</i>*)-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene","Acta Crystallographica Section C","1996","52","3","716","720","10.1107/S0108270195009048","","","1.54184","CuKα","","0.0639","0.0608","","0.2107","0.2034","","","","1.075","1.067","1.067","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004566","23.803","0.003","8.4646","0.001","11.083","0.002","90","","98.13","0.04","90","","2210.6","0.6","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","sc^*^(9S^*^)-8-chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene","","- C30 H25 Cl -","- C30 H25 Cl -","- C120 H100 Cl4 -","4","1","AS1189","Nemoto, T.; Ohashi, Y.; Yamamoto, G.","<i>ap</i>-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene and <i>sc</i>*(9<i>S</i>*)-8-Chloro-1,4-dimethyl-9-(2-methylbenzyl)triptycene","Acta Crystallographica Section C","1996","52","3","716","720","10.1107/S0108270195009048","","","1.54184","CuKα","","0.1001","0.089","","0.2291","0.219","","","","1.109","1.143","1.143","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004567","10.733","0.001","17.017","0.002","7.683","0.0001","90","","97.49","0.01","90","","1391.3","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ferrocinium tetrachloroantimonate.","","- C10 H10 Cl4 Fe Sb -","- C10 H10 Cl4 Fe Sb -","- C40 H40 Cl16 Fe4 Sb4 -","4","1","AS1201","Yamin, B. M.; Fun, H.-K.; Sivakumar, K.; Yip, B.-C.; Shawkataly, O. B.","Ferrocenium Tetrachloroantimonate","Acta Crystallographica Section C","1996","52","3","600","602","10.1107/S0108270195010948","","","0.71073","MoKα","","0.0259","0.0248","","0.0624","0.0618","","","","1.094","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004568","7.055","0.003","19.118","0.005","15.568","0.005","90","","98.32","0.04","90","","2077.7","1.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H50 N6 O8 -","- C44 H50 N6 O8 -","- C88 H100 N12 O16 -","2","1","AS1202","Miyake, H.; Yamashita, T.; Hirotsu, K.; Kojima, Y.","A Cyclic Hexa-Pseudopeptide Constructed from <i>N</i>,<i>N</i>'-Ethylene-Bridged (<i>S</i>)-Phenylalanyl-(<i>S</i>)-Phenylalanine and Glycine","Acta Crystallographica Section C","1996","52","3","681","684","10.1107/S0108270195011905","","","0.7107","MoKα","","","0.047","","","0.059","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004569","7.046","0.001","7.9939","0.0009","9.1","0.003","106.81","0.02","89","0.03","114.74","0.01","442.45","0.18","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Br Cd N O3 -","- C6 H6 Br Cd N O3 -","- C12 H12 Br2 Cd2 N2 O6 -","2","1","AS1203","Zhang, C.; Xu, D.; Xu, Y.; Huang, X.","The Polymeric Cadmium Complex Poly[μ-(nicotinato-<i>O</i>,<i>O</i>':<i>N</i>)-μ-bromo-monoaquacadmium]","Acta Crystallographica Section C","1996","52","3","591","593","10.1107/S0108270195011917","","","0.71073","MoKα","","","0.027","","","0.038","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004570","13.1844","0.0009","6.2358","0.0007","17.562","0.002","90","","107.719","0.006","90","","1375.4","0.2","293","1","293","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","methyl trans-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","AS1205","Gable, R. W.; Qureshi, A.; Schiesser, C. H.","Methyl <i>trans</i>-9,10-Dihydro-9,10-ethanoanthracene-11-carboxylate","Acta Crystallographica Section C","1996","52","3","674","675","10.1107/S0108270195010985","","","1.5418","CuKα(nickelfiltered)","","0.0463","0.0359","","0.0958","0.0877","","","","1.024","1.05","1.05","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004571","12.163","0.001","11.359","0.001","10.309","0.002","90","","113.58","0.01","90","","1305.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Cyclohexyl-3-phenyl thiourea","","- C13 H18 N2 S -","- C13 H18 N2 S -","- C52 H72 N8 S4 -","4","1","AS1207","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Srinivasan, N.; Ramadas, K.; Fun, H.-K.","1-Cyclohexyl-3-phenylthiourea","Acta Crystallographica Section C","1996","52","3","656","658","10.1107/S0108270195014065","","","0.71073","MoKα","","0.0601","0.0442","","0.1273","0.1201","","","","1.021","1.13","1.13","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004572","13.9887","0.0009","23.444","0.001","7.8082","0.0006","90","","90","","90","","2560.7","0.3","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","AS1210","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Coumarin 343, C~16~H~15~NO~4~","Acta Crystallographica Section C","1996","52","3","679","681","10.1107/S0108270195012820","","","1.54184","CuKα","","","0.044","","","0.058","","","","","2.56","2.56","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004573","38.4","0.05","11","0.05","9.6","0.05","90","","97","0.1","90","","4025","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C176 H232 N8 O24 -","8","1","AS1211","Hamodrakas, S. J.; Perrakis, A.; Antoniadou-Vyzas, E.","A <i>de novo</i> Designed Possible 5-Lipoxygenase Inhibitor: α-Acetoxy-<i>N</i>-[1-(1-tricyclo[3.3.1.1^3,7^]dec-1-yl)ethyl]benzeneacetamide","Acta Crystallographica Section C","1996","52","3","677","679","10.1107/S0108270195013084","","","0.92","Monochromatic","","0.0682","0.0442","","0.277","0.105","","","","0.938","0.947","0.947","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:26",""
"2004574","32.686","0.004","4.094","0.005","10.257","0.007","90","","95.08","0.03","90","","1367.2","1.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl 4-[4'-(4""-n-octyloxybenzoyloxy)benzylidene]aminobenzoate","","- C31 H35 N O5 -","- C31 H35 N O5 -","- C62 H70 N2 O10 -","2","1","AS1215","Kurogoshi, S.; Hori, K.","Ethyl and Butyl 4-[4-(4-<i>n</i>-Octyloxybenzoyloxy)benzylidene]aminobenzoates","Acta Crystallographica Section C","1996","52","3","660","663","10.1107/S0108270195013321","","","1.5418","CuKα","","0.1154","0.0692","","0.872","0.1937","","","","1.052","1.014","1.014","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004575","9.577","0.002","34.681","0.006","9.562","0.003","97.43","0.02","108.28","0.02","83.74","0.02","2982.4","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Butyl 4-[4'-(4""-n-octyloxybenzoyloxy)benzylidene]aminobenzoate","","- C33 H39 N O5 -","- C33 H34 N O5 -","- C132 H136 N4 O20 -","4","2","AS1215","Kurogoshi, S.; Hori, K.","Ethyl and Butyl 4-[4-(4-<i>n</i>-Octyloxybenzoyloxy)benzylidene]aminobenzoates","Acta Crystallographica Section C","1996","52","3","660","663","10.1107/S0108270195013321","","","1.5418","CuKα","","0.104","0.0725","","0.5923","0.2223","","","","1.066","1.097","1.097","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004576","7.71","0.005","12.354","0.002","10.92","0.002","90","","106.92","0.02","90","","995.1","0.7","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N O5 -","- C10 H9 N O5 -","- C40 H36 N4 O20 -","4","1","AS1218","Okabe, N.; Miura, J.; Shimosaki, A.","Xanthurenic Acid Monohydrate","Acta Crystallographica Section C","1996","52","3","663","665","10.1107/S0108270195013072","","","0.71069","MoKα","","","0.072","","","0.087","","","","","2.64","2.64","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004577","12.723","0.004","13.429","0.002","8.737","0.007","103.54","0.03","99.02","0.05","92.72","0.04","1427.8","1.3","296","","296","","","","","","","","","5","P -1","-P 1","2","hexaazatriphenylenehexacarboxamide solvate","","","- C22 H25 N12 O8.5 S2 -","- C22 H25 N12 O8.5 S2 -","- C44 H50 N24 O17 S4 -","2","1","BK1108","Beeson, J. C.; Czarnik, A. W.; Fitzgerald, L. J.; Gerkin, R. E.","Hexaazatriphenylenehexacarboxamide Solvate Exhibiting π-Complexation in the Solid State","Acta Crystallographica Section C","1996","52","3","724","729","10.1107/S0108270195011036","","","0.71073","MoKα","","","0.047","","","0.052","","","","","1.68","1.68","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2004578","18.326","0.004","16.953","0.003","13.516","0.003","90","","111.25","0.03","90","","3913.7","1.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","aqua(2,2'-bipyrimidine-N,N')(4,5-dihydroxy-1,2-benzoquinonate-O,O')copper(II) pentahydrate","","- C14 H20 Cu N4 O10 -","- C14 H20 Cu N4 O10 -","- C112 H160 Cu8 N32 O80 -","8","1","BK1126","Decurtins, S.; Schmalle, H. W.; Schneuwly, P.; Zheng, L.-M.","Two 2,5-Dihydroxy-1,4-benzoquinonate-<i>O</i>,<i>O</i>'-Containing Mononuclear Complexes: [Cu(C~6~H~2~O~4~)(C~8~H~6~N~4~)(H~2~O)].5H~2~O and [Ni(C~6~H~2~O~4~)(C~12~H~12~N~2~)~2~].H~2~O (C~8~H~6~N~4~ = 2,2'-Bipyrimidine, C~12~H~12~N~2~ = 4,4'-Dimethyl-2,2'-bipyridine)","Acta Crystallographica Section C","1996","52","3","561","566","10.1107/S0108270195010298","","","0.71073","MoKα","","0.1518","0.0481","","0.1468","0.1055","","","","1.039","1.091","1.091","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004579","12.942","0.003","12.942","0.003","29.326","0.006","90","","90","","120","","4253.9","1.6","295","2","295","2","","","","","","","","5","P 61","P 61","169","","bis(4,4'-dimethyl-2,2'-bipyridine-N,N')(4,5-dihydroxy-1,2-benzoquinonate-O,O')- nickel(II) monohydrate","","- C30 H28 N4 Ni O5 -","- C30 H27 N4 Ni O5 -","- C180 H162 N24 Ni6 O30 -","6","1","BK1126","Decurtins, S.; Schmalle, H. W.; Schneuwly, P.; Zheng, L.-M.","Two 2,5-Dihydroxy-1,4-benzoquinonate-<i>O</i>,<i>O</i>'-Containing Mononuclear Complexes: [Cu(C~6~H~2~O~4~)(C~8~H~6~N~4~)(H~2~O)].5H~2~O and [Ni(C~6~H~2~O~4~)(C~12~H~12~N~2~)~2~].H~2~O (C~8~H~6~N~4~ = 2,2'-Bipyrimidine, C~12~H~12~N~2~ = 4,4'-Dimethyl-2,2'-bipyridine)","Acta Crystallographica Section C","1996","52","3","561","566","10.1107/S0108270195010298","","","0.71073","MoKα","","0.1479","0.0521","","0.1812","0.1259","","","","1.233","1.215","1.215","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004580","6.879","0.002","8.215","0.002","11.961","0.002","90","","93.3","0.2","90","","674.8","0.3","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 B N4 O5 -","- C10 H17 B N4 O5 -","- C20 H34 B2 N8 O10 -","2","1","BK1157","Singh, P.; Zottola, M.; Huang, S.; Shaw, B. R.; Pedersen, L. G.","2'-Deoxycytidine-N(3)-cyanoborane Monohydrate","Acta Crystallographica Section C","1996","52","3","693","696","10.1107/S0108270195013412","","","0.71073","MoKα","","","0.0456","","","0.0511","","","","","2.06","2.06","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004581","12.8859","0.0004","12.9276","0.001","13.5328","0.0007","64.067","0.009","87.82","0.006","67.207","0.006","1845.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Ethanol-(2,3,7,8,12,13,17,18-Octaethylporphinato)manganese(III) Perchlorate","","- C38 H50 Cl Mn N4 O5 -","- C38 H46 Cl Mn N4 O5 -","- C76 H92 Cl2 Mn2 N8 O10 -","2","1","BK1159","Cheng, B.; Scheidt, W. R.","(Ethanol)(2,3,7,8,12,13,17,18-octaethylporphinato)manganese(III) Perchlorate","Acta Crystallographica Section C","1996","52","3","585","588","10.1107/S0108270195010705","","","0.71073","MoKα","","0.0856","0.0672","","0.1905","0.1767","","","","1.053","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004582","14.487","0.005","14.978","0.006","15.081","0.005","118.45","0.03","110.79","0.03","86.76","0.03","2664","2","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 Br4 Cu4 N4 O12 -","- C44 H56 Br5 Cu4 N4 O12 -","- C88 H112 Br10 Cu8 N8 O24 -","2","1","BM1020","Turpeinen, U.; Hämäläinen, R.; Mutikainen, I.; Orama, O.","Tetrakis[μ-(3-bromobenzoato)-μ-(2-dimethylaminoethanolato)-copper(II)]","Acta Crystallographica Section C","1996","52","3","568","570","10.1107/S0108270195012406","","","0.71069","MoKα","","","0.054","","","0.0647","","","","","1.36","1.36","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004583","3.614","0.001","31.543","0.002","6.75","0.001","90","","93.05","0.01","90","","768.4","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-[bis(p-nitrosalicylato)disilver(I)]","","- C14 H8 Ag2 N2 O10 -","- C14 H8 Ag2 N2 O10 -","- C28 H16 Ag4 N4 O20 -","2","0.5","BM1026","Tahir, M. N.; Ülkü, D.; Muvsumov, E. M.","Poly[bis(<i>p</i>-nitrosalicylato-<i>O</i>:<i>O</i>')disilver(I)-<i>O</i>^3^:<i>Ag</i>';<i>Ag</i>:<i>O</i>^3'^]","Acta Crystallographica Section C","1996","52","3","593","595","10.1107/S010827019501314X","","","0.71073","MoKα","","0.1657","0.054","","","0.065","","","","","0.7","0.7","","","","","has coordinates","278313","2022-10-03","10:12:56",""
"2004584","11.371","0.001","15.433","0.001","17.954","0.001","90","","104.738","0.006","90","","3047.1","0.4","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dimethylaluminium diphenylphosphinate","","- C28 H32 Al2 O4 P2 -","- C28 H32 Al2 O4 P2 -","- C112 H128 Al8 O16 P8 -","4","0.5","BM1033","Corker, J. M.; Browning, D. J.; Webster, M.","Bis(μ-diphenylphosphinato-<i>O</i>:<i>O</i>')bis(dimethylaluminium)","Acta Crystallographica Section C","1996","52","3","583","585","10.1107/S0108270195013266","","","1.54178","CuKα","","","0.062","","","0.089","","","","","2.25","2.25","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2004585","9.627","0.008","10.584","0.007","17.084","0.009","90","","93.15","0.06","90","","1738","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-Di(benzoylthio)-4,5-didehydro-1,3-dithiolane-2-thione","","- C17 H10 O2 S5 -","- C17 H10 O2 S5 -","- C68 H40 O8 S20 -","4","1","BM1041","Cox, P. J.; Doidge-Harrison, S. M. S. V.","Redetermination of 4,5-Di(benzoylthio)-4,5-didehydro-1,3-dithiolane-2-thione at 120 K","Acta Crystallographica Section C","1996","52","3","720","722","10.1107/S0108270195015162","","","0.71069","MoKα","","0.089","0.0434","","0.0921","0.0855","","","","0.71","0.932","0.932","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004586","9.48","0.003","9.4","0.003","7.399","0.002","90","","112.22","0.03","90","","610.4","0.3","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Mercury(II) hydrogenselenite selenite","Mercury(II) bis(hydrogenselenite) bis(selenite)","","- H2 Hg3 O12 Se4 -","- Hg3 O12 Se4 -","- Hg6 O24 Se8 -","2","0.5","BR1108","Koskenlinna, M.; Valkonen, J.","Mercury(II) Hydrogenselenite Selenite","Acta Crystallographica Section C","1996","52","3","491","493","10.1107/S0108270195012480","","","0.71073","MoKα","","","0.029","","","0.036","","","","","1.037","1.037","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004587","10.848","0.001","10.848","0.001","10.848","0.001","90","","90","","90","","1276.6","0.2","292","","292","","","","","","","","","6","F m -3 m","-F 4 2 3","225","Cadmium iridium hexacyanide dodecahydrate","Cadmium hexacyanoiridate (III) dodecahydrate","","- C12 H24 Cd3 Ir2 N12 O12 -","- C16.008 Cd4 Ir2.668 N16.008 O15.988 -","- C16.008 Cd4 Ir2.668 N16.008 O15.988 -","1","0.00520833","BR1126","Mullica, D. F.; Hayward, P. K.; Sappenfield, E. L.","Cadmium Hexacyanoiridate(III) Dodecahydrate","Acta Crystallographica Section C","1996","52","3","502","504","10.1107/S0108270195014387","","","0.71073","MoKα","","0.044","0.026","","1.335","0.032","","","","","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004588","20.348","0.004","13.501","0.002","11.701","0.003","90","","90","","90","","3214.5","1.1","293","","293","","","","","","","","","7","P b c n","-P 2n 2ab","60","","[bis(3-methylthiazolinylidene)]gold(I) trifluoromethanesulfonate","","- C9 H10 Au F3 N2 O3 S3 -","- C9 H10 Au F3 N2 O3 S3 -","- C72 H80 Au8 F24 N16 O24 S24 -","8","1","CF1002","Kruger, G. J.; Olivier, P. J.; Raubenheimer, H. G.","Bis(3-methyl-1,3-thiazolinylidene)gold(I) Trifluoromethanesulfonate","Acta Crystallographica Section C","1996","52","3","624","626","10.1107/S0108270195011152","","","0.71069","MoKα","","0.296","0.066","","0.071","0.054","","","","2.51","2.948","2.948","","","","","has coordinates","188742","2020-10-21","18:00:00",""
"2004589","14.428","0.006","12.885","0.006","7.999","0.005","90","","90","","90","","1487.1","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tetrachlorobis(tetrahydrofuran)zirconium","Tetrachlorobis(tetrahydrofuran)zirconium","","- C8 H16 Cl4 O2 Zr -","- C8 H16 Cl4 O2 Zr -","- C32 H64 Cl16 O8 Zr4 -","4","1","CF1019","Eberle, M.; Röhr, C.","Tetrachlorobis(tetrahydrofuran-<i>O</i>)zirconium(IV)","Acta Crystallographica Section C","1996","52","3","566","568","10.1107/S0108270195011188","","","0.7107","MoKα","","0.0792","0.0686","","0.1965","0.1879","","","","1.096","1.151","1.151","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004590","7.784","0.003","20.606","0.005","11.705","0.003","90","","93.92","0.04","90","","1873.1","1","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Te -","- C24 H18 Te -","- C96 H72 Te4 -","4","1","CF1026","Chen, H.; Hamor, T. A.; Singh, K.; McWhinnie, W. R.","Bis(2-biphenyl) Telluride","Acta Crystallographica Section C","1996","52","3","711","713","10.1107/S0108270195011176","","","0.71073","MoKα","","","0.0346","","","0.0773","","","","","1.041","1.041","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004591","6.463","0.001","10.665","0.002","15.623","0.003","87.07","0.03","82.13","0.03","88.24","0.03","1065","0.3","297","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O8 -","- C22 H21 N O8 -","- C44 H42 N2 O16 -","2","1","CR1169","Prayzner, P.; Ojadi, E. C. A.; Golen, J. A.; Williard, P. G.","3,4-Diphenylpyrrole-2,5-dicarboxylic Acid Acetic Acid Disolvate","Acta Crystallographica Section C","1996","52","3","665","667","10.1107/S0108270195010481","","","0.71073","MoKα","","","0.0578","","","0.0575","","","","","1.32","1.32","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004592","6.255","0.001","30.059","0.004","7.425","0.001","90","","113.95","0.02","90","","1275.8","0.4","295","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H11 I N2 S -","- C12 H11 I N2 S -","- C48 H44 I4 N8 S4 -","4","1","CR1172","Tafeenko, V. A.; Schenk, H.; Paseshnichenko, K. A.; Aslanov, L. A.","7-Methyl-6-phenylimidazo[2,1-<i>b</i>]thiazolium Iodide","Acta Crystallographica Section C","1996","52","3","729","731","10.1107/S0108270195006561","","","0.71073","MoKα","","","0.019","","","0.021","","","","","1.62","1.62","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004593","15.658","0.005","8.352","0.003","16.746","0.005","90","","124.31","0.02","90","","1808.9","1.1","22","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 Cl4 Cu2 N4 -","- C10 H24 Cl4 Cu2 N4 -","- C40 H96 Cl16 Cu8 N16 -","4","0.5","CR1200","Wang, Z.; Willett, R. D.; Molnar, S.; Brewer, K. J.","Monoclinic Form of [Cu(C~10~H~24~N~4~)]CuCl~4~","Acta Crystallographica Section C","1996","52","3","581","583","10.1107/S0108270195012091","","","0.71073","MoKα","","","0.0376","","","0.0565","","","","","0.75","0.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004594","9.238","0.002","14.388","0.003","11.763","0.002","90","","109.4","0.02","90","","1474.7","0.5","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-etoxi-1-(5-chlorine,4-nitrous,2-hidroxiphenil)azo,2-aminopropene","","- C12 H13 Cl N4 O5 -","- C12 H13 Cl N4 O5 -","- C48 H52 Cl4 N16 O20 -","4","1","CR1204","Rodrigues, B. L.; do Gambardella, M. T.; de Figueiredo, L. J.; Kascheres, C.","Ethyl 2-[(<i>E</i>)-5-Chloro-2-hydroxy-4-nitrophenylazo]-3-(<i>E</i>)-amino-2-butenoate","Acta Crystallographica Section C","1996","52","3","705","707","10.1107/S0108270195013023","","","0.71073","MoKα","","0.1067","0.0447","","0.0563","0.0397","","","","1.44","1.94","1.94","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004595","10.025","0.001","8.689","0.001","12.063","0.001","90","0.009","114.01","0.01","90","0.01","959.86","0.18","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-bis(2,2'-bipyrid-4-yl)benzene","","- C26 H18 N4 -","- C26 H18 N4 -","- C52 H36 N8 -","2","0.5","CR1205","Wang, W.; Baba, A.; Schmehl, R. H.; Mague, J. T.","A Rigid Bis-Bidentate Bridging Ligand: 1,4-Bis(2,2'-bipyrid-4-yl)benzene","Acta Crystallographica Section C","1996","52","3","658","660","10.1107/S010827019501242X","","","0.71073","MoKα","","0.082","0.038","","","0.047","","","","","1.494","1.494","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:26",""
"2004596","14.708","0.002","21.098","0.004","23.127","0.003","90","","93.29","0.01","90","","7164.7","1.9","230","2","230","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Holmium ""carbons adjacent"" carborane-tmeda cluster","","","- C43 H111 B8 Cl2 Ho Li3 N8 Si4 -","- C43 H111 B8 Cl2 Ho Li3 N8 Si4 -","- C172 H444 B32 Cl8 Ho4 Li12 N32 Si16 -","4","1","CR1207","Zhang, H.; Wang, Y.; Maguire, J. A.; Hosmane, N. S.","A Holmium(III) `Carbons Adjacent' Carborane Cluster, [Li(C~6~H~16~N~2~)~2~][Li~2~(C~6~H~16~N~2~)~2~{HoCl~2~(C~8~H~22~B~4~Si~2~)~2~}].0.5C~6~H~6~","Acta Crystallographica Section C","1996","52","3","640","643","10.1107/S010827019501273X","","","0.71073","MoKα","","0.1028","0.0496","","0.1148","0.092","","","","0.992","1.053","1.053","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004597","7.869","0.004","9.677","0.003","14.602","0.003","82.09","0.02","84.16","0.02","77.12","0.03","1070.7","0.7","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N3 S4 Te -","- C15 H24 N3 S4 Te -","- C30 H48 N6 S8 Te2 -","2","1","DE1011","Rajashree, S.; Krishna Kumar, R.; Udupa, M. R.; Seshasayee, R.; Aravamudan, G.","The Hemi-Adduct of Bis(diethyldithiocarbamato-<i>S</i>,<i>S</i>')tellurium(II) with 4,4'-Bipyridyl","Acta Crystallographica Section C","1996","52","3","707","709","10.1107/S0108270195012273","","","0.71073","MoKα","","","0.027","","","0.03","","","","","0.62","0.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004598","30.973","0.008","8.04","0.005","21.268","0.006","90","","127.04","0.04","90","","4228","4","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C200 H192 N16 O24 -","8","1","DE1014","Miao, F.-M.; Zhang, L.-J.; Wen, X.; Zhou, W.-H.; Niu, Z.-C.; Han, J.-G.; Liu, X.-L.","6'-Diethylamino-2'-methylaminospiro[isobenzofuran-1(3<i>H</i>),9'-[9<i>H</i>]xanthen]-3-one","Acta Crystallographica Section C","1996","52","3","700","702","10.1107/S0108270195013175","","","0.71073","MoKα","","","0.052","","","0.06","","","","","1.45","1.45","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004599","6.85","0.002","7.188","0.002","7.304","0.002","74.39","0.02","72.02","0.02","78.79","0.02","327.01","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Manganese Ethylenediammonium Bis(sulfate) Tetrahydrate","","- C2 H18 Mn N2 O12 S2 -","- C2 H18 Mn N2 O12 S2 -","- C2 H18 Mn N2 O12 S2 -","1","0.5","DU1123","Chaabouni, S.; Kamoun, S.; Daoud, A.; Jouini, T.","Manganese Ethylenediammonium Bis(sulfate) Tetrahydrate","Acta Crystallographica Section C","1996","52","3","505","506","10.1107/S0108270195011048","","","0.71069","MoKα","","0.0333","0.0329","","0.1019","0.1014","","","","1.154","1.167","1.167","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004600","17.252","0.003","16.565","0.003","10.422","0.002","90","","90","","90","","2978.4","0.9","200","1","200","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","Lithiumtetrapenylborate-Dihydrate-Bis(tetrahydrofuran)","","- C32 H40 B Li O4 -","- C32 H40 B Li O4 -","- C128 H160 B4 Li4 O16 -","4","0.5","DU1138","Schödel, H.; Vaupel, T.; Bock, H.","Lithium Tetraphenylborate.2thf.2H~2~O","Acta Crystallographica Section C","1996","52","3","637","640","10.1107/S0108270195012522","","","0.71073","MoKα","","0.0915","0.0495","","0.1607","0.1392","","","","1.102","1.202","1.202","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004601","10.5096","0.0008","10.873","0.001","14.32","0.001","90","","106.261","0.008","90","","1570.9","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tris(ethylammonium)decavanadate dihydrate","","","- C6 H34 N6 O30 V10 -","- C6 H34 N6 O30 V10 -","- C12 H68 N12 O60 V20 -","2","0.5","DU1141","Ninclaus, C.; Riou, D.; Férey, G.","A New Decavanadate Dihydrate Templated by Ethylenediamine","Acta Crystallographica Section C","1996","52","3","512","514","10.1107/S010827019501105X","","","0.71073","MoKα","","0.0673","0.0237","","0.0625","0.1282","","","","0.994","0.994","0.994","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004602","5.59","0.001","5.6932","0.0008","7.878","0.002","90","","90.26","0.009","90","","250.71","0.09","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- La2 Li Mo O6 -","- La2 Li Mo O6 -","- La4 Li2 Mo2 O12 -","2","0.5","DU1142","Tortelier, J.; Gougeon, P.","La~2~LiMoO~6~","Acta Crystallographica Section C","1996","52","3","500","502","10.1107/S010827019501153X","","","0.71073","MoKα","","","0.026","","","0.033","","","","","0.764","0.764","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004603","17.682","0.004","10.292","0.003","11.855","0.003","90","","90","","90","","2157.4","1","293","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H28 N4 Ni O7 S4 -","- C12 H28 N4 Ni O7 S4 -","- C48 H112 N16 Ni4 O28 S16 -","4","1","FG1049","Li, W.-Z.; Wang, J.-L.; Miao, X.-S.; Zhou, Y.; Miao, F.-M.","1,4,10,13-Tetrathia-7,16-diazacyclooctadecanenickel(II) Nitrate Hydrate","Acta Crystallographica Section C","1996","52","3","555","557","10.1107/S0108270195009619","","","0.71073","MoKα","","","0.034","","","0.037","","","","","1.876","1.876","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004604","7.3319","0.0008","12.3885","0.0009","12.8313","0.0009","114.805","0.009","98.699","0.009","100.923","0.009","1003.38","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Nickel(II)-bis-[(d,l)-dicampholylmethanat]","Nickel(II)-bis[1-((+)-(1'R,3'S)-1',2',2',3'-tetramethyl-cyclopent-1'yl)- 3-((-)-(1'S,3'R)-1',2',2',3'-tetramethyl-cyclopent-1'yl)-propan-1,3- dionate]","","- C42 H70 Ni O4 -","- C42 H70 Ni O4 -","- C42 H70 Ni O4 -","1","0.5","FG1065","Ficker, R.; Hiller, W.; Ossig, A.; Schurig, V.","Nickel(II) Bis(<i>d</i>-campholyl-<i>l</i>-campholylmethanate)","Acta Crystallographica Section C","1996","52","3","543","545","10.1107/S0108270195010663","","","1.54184","CuKα","","0.0472","0.0446","","0.1204","0.1163","","","","1.119","1.126","1.126","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004605","15.41","0.003","3.953","0.001","18.081","0.006","90","","90","","90","","1101.4","0.5","295","","","","","","","","","","","3","P n a 21","","","","1,8-dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C56 H32 Cl8 -","4","1","FG1096","del Benites, M.; Maverick, A. W.; Fronczek, F. R.","1,8-Dichloroanthracene","Acta Crystallographica Section C","1996","52","3","647","648","10.1107/S0108270195014673","","","0.71073","MoKα","","","0.057","","","0.059","","","","","1.955","1.955","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004606","11.782","0.003","17.087","0.004","14.771","0.003","90","","91.29","0.02","90","","2972.9","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro(propionyl-C)[2(1H)-pyridinonato-N,O]bis[tris(1-methylethyl)- phosphine]iridium(III)","","- C26 H51 Cl Ir N O2 P2 -","- C26 H51 Cl Ir N O2 P2 -","- C104 H204 Cl4 Ir4 N4 O8 P8 -","4","1","FG1097","Grotjahn, D. B.; Lo, H. C.; Groy, T. L.","Chloro(propionyl-<i>C</i>)[2(1<i>H</i>)-pyridonato-<i>N</i>,<i>O</i>]bis[tris(1-methylethyl)phosphine]iridium(III)","Acta Crystallographica Section C","1996","52","3","516","519","10.1107/S0108270195010997","","","0.71073","MoKα","","0.0331","0.0262","","0.0688","0.0647","","","","1.023","1.039","1.039","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004607","12.575","0.002","13.42","0.001","13.53","0.002","93.64","","93.23","","95.23","","2264.7","0.5","298","2","566","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(triethylammonium) hexakis(isothiocyanato)-nickel(II)","","- C30 H64 N10 Ni S6 -","- C30 H64 N10 Ni S6 -","- C60 H128 N20 Ni2 S12 -","2","1","FG1110","Kruger, P. E.; McKee, V.","Tetrakis(triethylammonium) Hexakis(isothiocyanato-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1996","52","3","617","619","10.1107/S0108270195013837","","","0.71073","MoKα","","0.0856","0.0552","","0.1638","0.1355","","","","1.024","1.047","1.047","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004608","6.359","0.001","16.752","0.002","13.653","0.001","90","","94.23","0.01","90","","1450.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-Methylenebis[5,5-dimethyl-2,2'-dioxide]1,3,2- dioxaphosphorinane","","- C11 H22 O6 P2 -","- C11 H22 O6 P2 -","- C44 H88 O24 P8 -","4","1","FG1133","Browning, C. S.; Burrow, T. E.; Farrar, D. H.; Lough, A. J.","2,2'-Methylenebis(5,5-dimethyl-1,3,2-dioxaphosphorinane 2-oxide)","Acta Crystallographica Section C","1996","52","3","652","654","10.1107/S0108270195014685","","","0.71073","MoKα","","0.058","0.0397","","0.1027","0.093","","","","1.015","1.05","1.05","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004609","11.805","0.004","12.428","0.003","10.021","0.004","100.89","0.03","114.89","0.03","77.51","0.03","1294.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","narceine hydrochloride","N,N-Dimethyl-2-[5-(2-carboxy-3,4-dimethoxybenzoylmethyl)-4-methoxy-1,3- benzodioxol-6-yl]ethylammonium Chloride (Narceine) Trihydrate","","- C23 H34 Cl N O11 -","- C23 H34 Cl N O11 -","- C46 H68 Cl2 N2 O22 -","2","1","HA1145","Baggio, R.; Baggio, S.; Pardo, M. I.; Capparelli, M. V.","Narceine Hydrochloride Trihydrate","Acta Crystallographica Section C","1996","52","3","703","705","10.1107/S0108270195012479","","","0.71073","MoKα","","0.0876","0.0485","","0.1627","0.1366","","","","1.026","1.103","1.103","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004610","8.215","0.002","7.105","0.003","9.512","0.002","90","","94.54","0.01","90","","553.5","0.3","294.2","","294.2","","","","","","","","","5","P 1 21 1","","","","","","- C7 H13 Cl2 N3 O2 -","- C10.5 H19.5 Cl3 N4.5 O3 -","- C21 H39 Cl6 N9 O6 -","2","1","HA1149","Vilchiz, V. H.; Norman, R. E.; Chang, S.-C.","<small>L</small>-Histidine Methyl Ester Dihydrochloride","Acta Crystallographica Section C","1996","52","3","696","698","10.1107/S0108270195013308","","","0.7107","MoKα","","","0.0327","","","0.0344","","","","","1.872","1.872","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004611","9.5234","0.002","14.528","0.005","12.913","0.003","90","","99.58","0.02","90","","1761.7","0.8","295","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 F6 Mo N O P -","- C15 H20 F6 Mo N O P -","- C60 H80 F24 Mo4 N4 O4 P4 -","4","1","HU1051","Wang, T.-F.; Wen, Y.-S.","Carbonyl(η^4^-1,3-cyclohexadiene)[(η^5^,κ<i>N</i>)-2-methylaminoethylcyclopentadienyl]molybdenum(II) Hexafluorophosphate","Acta Crystallographica Section C","1996","52","3","525","526","10.1107/S0108270195010328","","","0.7093","MoKα","","","0.035","","","0.045","","","","","2.73","2.73","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2004612","5.809","0.001","15.514","0.003","13.883","0.002","90","","90","","90","","1251.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C56 H48 O12 S4 -","4","1","HU1074","Hellier, D. G.; Motevalli, M.","<i>cis</i>,<i>trans</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide, <i>cis</i>,<i>cis</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide and 4,4-Diphenyl-1,3,2-dioxathiolane 2-Oxide","Acta Crystallographica Section C","1996","52","3","739","743","10.1107/S0108270195012984","","","0.71069","MoKα","","0.073","0.0286","","0.082","0.0719","","","","0.921","1.075","1.075","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004613","6.456","0.001","7.808","0.001","12.636","0.002","93.86","0.01","98.97","0.01","98.81","0.01","619.03","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C28 H24 O6 S2 -","2","1","HU1074","Hellier, D. G.; Motevalli, M.","<i>cis</i>,<i>trans</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide, <i>cis</i>,<i>cis</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide and 4,4-Diphenyl-1,3,2-dioxathiolane 2-Oxide","Acta Crystallographica Section C","1996","52","3","739","743","10.1107/S0108270195012984","","","0.71069","MoKα","","0.1945","0.0633","","0.1767","0.143","","","","0.862","1.197","1.197","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004614","8.748","0.001","17.697","0.002","8.418","0.001","90","","109.01","0.03","90","","1232.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C56 H48 O12 S4 -","4","1","HU1074","Hellier, D. G.; Motevalli, M.","<i>cis</i>,<i>trans</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide, <i>cis</i>,<i>cis</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide and 4,4-Diphenyl-1,3,2-dioxathiolane 2-Oxide","Acta Crystallographica Section C","1996","52","3","739","743","10.1107/S0108270195012984","","","0.71069","MoKα","","0.0546","0.0357","","0.1284","0.1203","","","","1.017","1.13","1.13","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004615","21.594","0.003","12.399","0.002","24.783","0.003","90","","92.1","0.02","90","","6631","1.6","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","","","","","- C36 H30 Au B F4 P2 -","- C36 H30 Au B F8 P2 -","- C288 H240 Au8 B8 F64 P16 -","8","1","HU1080","Wang, J.-C.","[Au(PPh~3~)~2~]^+^[BF~4~]^{-^}","Acta Crystallographica Section C","1996","52","3","611","613","10.1107/S0108270195012376","","","0.71073","MoKα","","","0.0395","","","0.0525","","","","","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004616","13.922","0.003","21.002","0.002","24.866","0.002","90","","105.51","0.01","90","","7005.8","1.8","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80 H73 B N5 P2 Re S Si -","- C80 H73 B N5 P2 Re S Si -","- C320 H292 B4 N20 P8 Re4 S4 Si4 -","4","1","HU1129","Gernert, M. B.; Kooijman, H.; Hiller, W. P.; Dilworth, J. R.; Parrott, S. J.","[Re(NNPh)(NNHPh){2-S-C~5~H~3~N-3-Si(CH~3~)~3~}(PPh~3~)~2~]BPh~4~","Acta Crystallographica Section C","1996","52","3","545","548","10.1107/S0108270195011851","","","0.71073","MoKα","","0.0952","0.0377","","0.07","0.0584","","","","1.007","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004617","4.972","0.001","9.379","0.002","11.326","0.002","90","","92.18","0.01","90","","527.78","0.18","100","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C20 H24 N8 O8 -","2","1","HU1142","Marfurt, J.; Stulz, E.; Trafelet, H. U.; Zingg, A.; Leumann, C.; Hazenkamp, M.; Judd, R.; Schenker, S.; Strouse, G.; Ward, T. R.; Förtsch, M.; Hauser, J.; Bürgi, H.-B.","7-(2'-Deoxy-α-<small>D</small>-ribofuranosyl)hypoxanthine","Acta Crystallographica Section C","1996","52","3","713","716","10.1107/S0108270195012662","","","0.71069","MoKα","","","0.0268","","","0.0357","","","","","1.2618","1.2618","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:26",""
"2004618","6.078","0.001","9.996","0.002","23.888","0.004","90","","90","","90","","1451.3","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 O6 -","- C12 H24 O6 -","- C48 H96 O24 -","4","1","JZ1071","Berens, U.; Raabe, G.","(2<i>R</i>,3<i>R</i>,5<i>S</i>,6<i>S</i>)-2,3-Diethoxy-5,6-bis(hydroxymethyl)-2,3-dimethyl-1,4-dioxane","Acta Crystallographica Section C","1996","52","3","669","672","10.1107/S0108270195012194","","","0.71069","MoKα","","","0.054","","","0.048","","","","","2.284","2.284","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004619","7.489","0.001","27.829","0.006","8.257","0.002","90","","102.05","0.03","90","","1682.9","0.6","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","3^1^,3^2^-didehydrorhodochlorin-15-acetic acid trimethylester","(2S,3S)-8-ethenyl-13-ethyl-2,3-dihydro-18-(methoxycarbonyl)-20- (methoxycarbonylmethyl)-3,7,12,17-tetramethylporphyrin-2- propionic acid methyl ester","","- C37 H42 N4 O6 -","- C37 H42 N4 O6 -","- C74 H84 N8 O12 -","2","1","JZ1072","Pajunen, A.; Stapelbroek-Möllmann, M. E.; Hynninen, P. H.","3^1^,3^2^-Didehydrorhodochlorin-15-acetic Acid Trimethyl Ester","Acta Crystallographica Section C","1996","52","3","743","746","10.1107/S0108270195012169","","","0.71073","MoKα","","0.1488","0.0819","","0.2474","0.1906","","","","0.939","1.111","1.111","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004620","7.124","0.004","8.687","0.003","10.6064","0.0013","90","","98.85","0.04","90","","648.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","neptunocene","Bis(cyclooctatetraenyl)neptunium(IV)","","- C16 H16 Np -","- C16 H16 Np -","- C32 H32 Np2 -","2","0.5","JZ1077","De Ridder, D. J. A.; Rebizant, J.; Apostolidis, C.; Kanellakopulos, B.; Dornberger, E.","Bis(cyclooctatetraenyl)neptunium(IV)","Acta Crystallographica Section C","1996","52","3","597","600","10.1107/S0108270195013047","","","0.71073","MoKα","","0.054","0.031","","0","0.038","","","","0","1.065","1.065","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004621","14.997","0.007","10.84","0.002","19.16","0.008","90","","113.04","0.02","90","","2866.3","1.9","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-Dichlorotris(dimethylphenylphosphine)isothiocyanatotechnetium(III)","","- C25 H33 Cl2 N P3 S Tc -","- C25 H33 Cl2 N P3 S Tc -","- C100 H132 Cl8 N4 P12 S4 Tc4 -","4","1","JZ1079","Abram, U.; Abram, S.; Dilworth, J. R.","Mixed-Ligand Complexes of Technetium. XIV. Structure of <i>trans</i>-[TcCl~2~(NCS)(Me~2~PhP)~3~]","Acta Crystallographica Section C","1996","52","3","605","607","10.1107/S0108270195012923","","","0.71073","MoKα","","0.1193","0.0491","","0.0891","0.0668","","","","1.155","1.095","1.095","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004622","15.298","0.004","6.097","0.001","22.037","0.004","90","","106.72","0.02","90","","1968.5","0.7","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","catena-{dinitratotriaquabis[meso-2,5-bis(trimethylammonio)adipate] dicadmium(II) dinitrate}]","","- C24 H54 Cd2 N8 O23 -","- C24 H54 Cd2 N8 O23 -","- C48 H108 Cd4 N16 O46 -","2","0.5","JZ1080","Wu, D.-D.; Mak, T. C. W.","Polymeric Cadmium(II) Nitrate Adduct of a Flexible Double Betaine: [Cd~2~(<i>L</i>)~2~(NO~3~)~2~(H~2~O)~3~]~<i>n~</i>(NO~3~)~2<i>n~</i> [<i>L</i> = <i>meso</i>-2,5-Bis(trimethylammonio)adipate]","Acta Crystallographica Section C","1996","52","3","529","532","10.1107/S0108270195012133","","","0.71073","MoKα","","0.0693","0.0384","","0.0871","0.0751","","","","1.063","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004623","8.236","0.001","11.26","0.003","11.608","0.003","90.3","0.02","101.98","0.01","110.44","0.02","983.2","0.4","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 F N3 O7 Se -","- C16 H22 F N3 O7 Se -","- C32 H44 F2 N6 O14 Se2 -","2","1","JZ1086","Poleschner, H.; Schilde, U.","The First Structure of a Vicinal (<i>E</i>)-Fluoroselenoolefin: (<i>E</i>)-(5-Fluoro-4-octen-4-yl)dimethylselenonium Picrate","Acta Crystallographica Section C","1996","52","3","644","647","10.1107/S0108270195014260","","","0.71073","MoKα","","0.0378","0.0299","","0.0813","0.0762","","","","1.021","1.03","1.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004624","12.108","0.007","7.277","0.003","10.835","0.009","90","","107.58","0.05","90","","910.1","1","294","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","N-n-ethyl-N,N-dimethylammonio acetic acid bromide","","- C6 H14 Br N O2 -","- C6 H14 Br N O2 -","- C24 H56 Br4 N4 O8 -","4","1","KA1118","Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.","<i>n</i>-Butyl(carboxymethyl)dimethylammonium Bromide and (Carboxymethyl)ethyldimethylammonium Bromide","Acta Crystallographica Section C","1996","52","3","648","652","10.1107/S0108270195011541","","","0.71073","MoKα","","","0.052","","","0.061","","","","","1.354","1.354","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004625","11.11","0.007","13.428","0.005","15.038","0.005","90","","90","","90","","2243.4","1.8","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-n-Butyl-N,N-dimethylammonio Acetic Acid Bromide","","- C8 H18 Br N O2 -","- C8 H18 Br N O2 -","- C64 H144 Br8 N8 O16 -","8","2","KA1118","Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.","<i>n</i>-Butyl(carboxymethyl)dimethylammonium Bromide and (Carboxymethyl)ethyldimethylammonium Bromide","Acta Crystallographica Section C","1996","52","3","648","652","10.1107/S0108270195011541","","","0.71073","MoKα","","","0.053","","","0.052","","","","","2.19","2.19","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004626","7.93","0.004","11.018","0.004","15.512","0.006","96.01","0.03","98.93","0.03","108","0.03","1256.4","1","292","2","293","2","","","","","","","","5","P -1","-P 1","2","","Isothiocyanatobis(1,10-phenanthroline)copper(II) Tricyanomethanide","","- C29 H16 Cu N8 S -","- C29 H16 Cu N8 S -","- C58 H32 Cu2 N16 S2 -","2","1","KA1130","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L.","Isothiocyanatobis(1,10-phenanthroline)copper(II) Tricyanomethanide","Acta Crystallographica Section C","1996","52","3","532","535","10.1107/S0108270195007487","","","0.71073","MoKα","","0.0809","0.046","","0.1459","0.1198","","","","0.969","1.004","1.004","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004627","9.125","0.002","9.241","0.002","10.532","0.002","90","","90","","90","","888.1","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","hydrazinium hexafluorogallate","","- F6 Ga H15 N6 -","- F6 Ga H15 N6 -","- F24 Ga4 H60 N24 -","4","1","KA1142","Meden, A.; Siftar, J.; Golic, L.","Hydrazinium(1+) Hexafluorogallate(III) and Hydrazinium(2+) Aquapentafluorogallate(III)","Acta Crystallographica Section C","1996","52","3","493","496","10.1107/S0108270195011310","","","0.71069","MoKα","","0.035","0.033","","0.019","0.019","","","","1.036","1.024","1.024","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004628","9.248","0.001","10.942","0.001","11.199","0.001","90","","90","","90","","1133.24","0.19","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","hydrazinium pentafluoroaquagallate","","- F5 Ga H8 N2 O -","- F5 Ga H8 N2 O -","- F40 Ga8 H64 N16 O8 -","8","1","KA1142","Meden, A.; Siftar, J.; Golic, L.","Hydrazinium(1+) Hexafluorogallate(III) and Hydrazinium(2+) Aquapentafluorogallate(III)","Acta Crystallographica Section C","1996","52","3","493","496","10.1107/S0108270195011310","","","0.71069","MoKα","","0.037","0.026","","0.024","0.019","","","","1.162","1.026","1.026","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004629","5.079","0.001","13.925","0.003","9.45","0.002","90","","93.3","0.01","90","","667.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-methyl-2-thiophene carboxylic-acid","","- C6 H6 O2 S -","- C6 H6 O2 S -","- C24 H24 O8 S4 -","4","1","KA1147","Rudiño-Piñera, E.; Panneerselvam, K.; Soriano-García, M.","5-Methyl-2-thiophenecarboxylic Acid","Acta Crystallographica Section C","1996","52","3","675","677","10.1107/S0108270195012467","","","1.54178","CuKα","","0.042","0.0388","","0.1628","0.1016","","","","1.242","1.047","1.047","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004630","11.073","0.003","14.64","0.003","14.979","0.002","90","","100.36","0.02","90","","2388.6","0.9","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Cu2 N4 O12 -","- C52 H52 Cu2 N4 O12 -","- C104 H104 Cu4 N8 O24 -","2","0.5","KH1048","Yu, Y.-P.; Zhu, D.-L.; Liu, S.-X.","A Dimeric Copper(II) Complex of an α-Hydroxylated Acid: [Cu(C~14~H~8~O~3~)(C~9~H~7~N)(H~2~O)]~2~.2C~3~H~7~NO.2H~2~O","Acta Crystallographica Section C","1996","52","3","628","630","10.1107/S0108270195011474","","","0.71069","MoKα","","","0.0437","","","0.053","","","","","1.25","1.25","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004631","13.078","0.002","14.721","0.002","15.437","0.001","90","","90","","90","","2972","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tris(2-aminoethyl)amine nickel(II) acetate perchlorate","","- C8 H21 Cl N4 Ni O6 -","- C8 H21 Cl N4 Ni O6 -","- C64 H168 Cl8 N32 Ni8 O48 -","8","2","KH1049","Fun, H.-K.; Yip, B.-C.; Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.","(Acetato-<i>O</i>,<i>O</i>')[tris(2-aminoethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) Perchlorate","Acta Crystallographica Section C","1996","52","3","509","512","10.1107/S0108270195010389","","","0.71073","MoKα","","0.0394","0.0375","","0.1078","0.1064","","","","1.045","1.061","1.061","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004632","9.458","0.001","9.644","0.001","9.889","0.001","94.81","0.02","117.76","0.02","114.16","0.02","684.9","0.3","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H22 O5 -","- C13 H22 O5 -","- C26 H44 O10 -","2","1","KH1053","Bidyasagar, M.; Ravikumar, K.; Hassan, S. J.; Yadav, J. S.","Methyl 3-(<i>RS</i>)-Hydroxy-4-[(<i>RS</i>)-3,4,5,6-tetrahydro-2<i>H</i>-2-pyranyloxy]cyclohexanecarboxylate","Acta Crystallographica Section C","1996","52","3","687","689","10.1107/S0108270195011991","","","0.71069","MoKα","","","0.053","","","0.06","","","","","0.861","0.861","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004633","10.082","0.001","10.746","0.002","19.155","0.009","95.81","0.02","98.05","0.02","112.63","0.01","1869.1","1","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H42 Cd3 Cl6 N4 O11 -","- C24 H32 Cd3 Cl6 N4 O11 -","- C48 H64 Cd6 Cl12 N8 O22 -","2","1","KH1054","Wu, D.-D.; Mak, T. C. W.","Cadmium(II) Chloride Adduct with an Olefinic Double Betaine: <i>catena</i>-Poly[tetraaquadiethanoltris[dichlorocadmium(II)] <i>cis</i>-bis(4-dimethylamino-1-pyridinio)butenedioate hydrate]","Acta Crystallographica Section C","1996","52","3","526","529","10.1107/S0108270195011760","","","0.71073","MoKα","","","0.051","","","0.072","","","","","1.93","1.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004634","10.13","0.005","9.107","0.002","17.62","0.004","90","","106.57","0.03","90","","1558","0.9","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 Al N2 -","- C14 H25 Al N2 -","- C56 H100 Al4 N8 -","4","1","KH1055","Ma, X.; Wu, L.; Pan, Y.; Huang, X.; Wang, X.; Zhu, C.","Trimethyl(1-methyl-4-phenylpiperazine-<i>N</i>^1^)aluminium","Acta Crystallographica Section C","1996","52","3","607","609","10.1107/S0108270195012546","","","0.71073","MoKα","","","0.055","","","0.067","","","","","1.69","1.69","","","","","has coordinates","264421","2021-04-22","15:32:46",""
"2004635","8.266","0.002","30.465","0.005","8.334","0.001","90","","90","","90","","2098.7","0.7","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis(2-methyl-4-nitroanilinium) Tetrachlorocadmate","","- C14 H18 Cd Cl4 N4 O4 -","- C14 H18 Cd0.5 Cl3 N4 O4 -","- C56 H72 Cd2 Cl12 N16 O16 -","4","0.5","KH1059","Azumi, R.; Honda, K.; Goto, M.; Akimoto, J.; Oosawa, Y.; Tachibana, H.; Tanaka, M.; Matsumoto, M.","Bis(2-methyl-4-nitroanilinium) Tetrachlorocadmate","Acta Crystallographica Section C","1996","52","3","588","591","10.1107/S0108270195012935","","","0.7107","MoKα","","","0.043","","","0.042","","","","","1.23","1.23","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2004636","14.28","0.003","10.426","0.002","16.112","0.004","90","","112.065","0.014","90","","2223.1","0.9","240","0.2","240","0.2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Tetrakis(dimethylsulphoxide-κ-O)copper(II) bis(perchlorate)","","- C8 H24 Cl2 Cu O12 S4 -","- C8 H24 Cl2 Cu O12 S4 -","- C32 H96 Cl8 Cu4 O48 S16 -","4","1","KH1069","Blake, A. J.; Grimditch, R. S.; Parsons, S.; Schröder, M.","Tetrakis(dimethyl sulfoxide-<i>O</i>)copper(II) Bis(perchlorate)","Acta Crystallographica Section C","1996","52","3","514","516","10.1107/S0108270195013795","","","0.71073","MoKα","","0.1548","0.0649","","0.1349","0.106","","","","0.977","1.119","1.119","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004637","6.835","0.001","6.995","0.002","8.54","0.001","86.77","0.005","88.663","0.008","84.456","0.013","405.68","0.14","150","1","150","1","","","","","","","","3","P -1","-P 1","2","β-methyl tricarballylic acid","2-methyl propane-1,2,3-tricarboxylic acid","","- C7 H10 O6 -","- C7 H10 O6 -","- C14 H20 O12 -","2","1","LI1138","Barnes, H. A.; Barnes, J. C.","Hydrogen Bonding in 2-Methyl-1,2,3-propanetricarboxylic Acid, Ammonium Dihydrogen 1,2,3-Propanetricarboxylate Hemihydrate and Tetraammonium 1,2,3,4-Butanetetracarboxylate Monohydrate","Acta Crystallographica Section C","1996","52","3","731","736","10.1107/S0108270195013527","","","0.71069","MoKα","","0.0505","0.036","","0.117","0.0896","","","","0.408","0.404","0.404","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004638","30.9331","0.0012","7.8035","0.0014","7.4103","0.0003","90","","93.565","0.004","90","","1785.3","0.3","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ammonium tricarballylate hydrate (1:1:0.5)","propane-1,2,3-tricarboxylic acid, mono-ammonium salt hemi-hydrate","","- C6 H12 N O6.5 -","- C6 H11.49 N O6.5 -","- C48 H91.92 N8 O52 -","8","1","LI1138","Barnes, H. A.; Barnes, J. C.","Hydrogen Bonding in 2-Methyl-1,2,3-propanetricarboxylic Acid, Ammonium Dihydrogen 1,2,3-Propanetricarboxylate Hemihydrate and Tetraammonium 1,2,3,4-Butanetetracarboxylate Monohydrate","Acta Crystallographica Section C","1996","52","3","731","736","10.1107/S0108270195013527","","","0.71069","MoKα","","0.0589","0.04","","0.1","0.0866","","","","0.889","1.038","1.038","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004639","7.8714","0.0007","8.602","0.002","12.043","0.002","94.454","0.008","108.24","0.02","94.402","0.011","767.7","0.2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","1,2,3,4-butanetetracarboxylic acid, tetra-ammonium salt, monohydrate","","- C8 H24 N4 O9 -","- C8 H24 N4 O9 -","- C16 H48 N8 O18 -","2","1","LI1138","Barnes, H. A.; Barnes, J. C.","Hydrogen Bonding in 2-Methyl-1,2,3-propanetricarboxylic Acid, Ammonium Dihydrogen 1,2,3-Propanetricarboxylate Hemihydrate and Tetraammonium 1,2,3,4-Butanetetracarboxylate Monohydrate","Acta Crystallographica Section C","1996","52","3","731","736","10.1107/S0108270195013527","","","0.71069","MoKα","","0.0489","0.035","","0.12","0.0906","","","","0.368","0.35","0.35","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004640","6.1621","0.0009","15.731","0.004","13.708","0.004","90","","102.07","0.02","90","","1299.4","0.5","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-diacetyl-1,4-dihydro-4-phenylpyridine","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","LI1140","Beddoes, R. L.; Arshad, N.; Joule, J. A.","The Zinc–Acetic Anhydride Reduction of Pyridines","Acta Crystallographica Section C","1996","52","3","654","656","10.1107/S0108270195013539","","","1.5418","CuKα","","","0.066","","","0.083","","","","","2.32","2.32","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004641","8.725","0.002","7.891","0.003","19.127","0.003","90","","100.03","0.03","90","","1296.7","0.6","296","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Au Br N3 P -","- C9 H12 Au Br N3 P -","- C36 H48 Au4 Br4 N12 P4 -","4","1","MU1183","Al-Arfaj, A. R.; Hussain, M. S.; Isab, A. A.; Akhtar, M. N.","Bromo[tris(2-cyanoethyl)phosphine]gold(I), [(CEP)AuBr]","Acta Crystallographica Section C","1996","52","3","550","553","10.1107/S0108270195009814","","","0.71073","MoKα","","","0.0384","","","0.0421","","","","","1.001","1.001","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004642","9.334","0.008","11.112","0.005","14.526","0.009","90","","98.14","0.07","90","","1491.4","1.7","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 N2 Ni S5 -","- C9 H16 N2 Ni S5 -","- C36 H64 N8 Ni4 S20 -","4","1","MU1191","Sheng, T.; Wu, X.; Huang, Q.; Wang, Q.","(2-Thioxo-1,3-dithiole-4,5-dithiolato)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)nickel(II)","Acta Crystallographica Section C","1996","52","3","539","541","10.1107/S0108270195009826","","","0.71069","MoKα","","","0.054","","","0.063","","","","","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004643","13.866","0.002","14.0228","0.0008","15.316","0.001","100.16","0.006","97.712","0.009","104.641","0.007","2785.7","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","1,1'-bis(octamethylferrocenium-yl)methyl ferrocene tetracyanoethenide pentacyanopropenide","","- C62 H62 Fe3 N9 -","- C62 H62 Fe3 N9 -","- C124 H124 Fe6 N18 -","2","1","MU1195","Barlow, S.; O'Hare, D.","[{(C~5~Me~4~H)Fe(C~5~Me~4~)CH~2~C~5~H~4~}~2~Fe]^2+^.[C~2~(CN)~4~]^{-^}.[C~3~(CN)~5~]^{-^}","Acta Crystallographica Section C","1996","52","3","578","581","10.1107/S010827019500984X","","","0.71073","MolybdenumKα","","","0.051","","","0.06","","","","","1.129","1.129","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004644","6.442","0.003","8.23","0.001","10.631","0.003","106.94","0.02","98.28","0.03","106.12","0.03","502.2","0.3","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 Ni O2 S4 -","- C16 H26 Ni O2 S4 -","- C16 H26 Ni O2 S4 -","1","0.5","MU1211","Xiong, R.-G.; Liu, C.-M.; Li, H.-Z.; You, X.-Z.; Huang, X.-Y.","Bis[<i>O</i>-(4-methylcyclohexyl) dithiocarbonato-<i>S</i>,<i>S</i>']nickel(II)","Acta Crystallographica Section C","1996","52","3","519","521","10.1107/S010827019501078X","","","0.71073","MoKα","","","0.036","","","0.047","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004645","10.682","0.002","12.742","0.002","15.508","0.004","90","","103.51","0.01","90","","2052.4","0.7","296","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 Ni O3 S4 -","- C17 H16 N2 Ni O3 S4 -","- C68 H64 N8 Ni4 O12 S16 -","4","1","MU1213","Xiong, R.-G.; Zuo, J.-L.; Xu, E.-J.; You, X.-Z.; Huang, X.-Y.","(4,5-Diazafluoren-9-one-<i>N</i>^4^,<i>N</i>^5^)bis(<i>O</i>-ethyl dithiocarbonato-<i>S</i>,<i>S</i>')nickel(II)","Acta Crystallographica Section C","1996","52","3","521","523","10.1107/S0108270195010791","","","0.71073","MoKα","","","0.029","","","0.045","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004646","17.344","0.005","8.336","0.005","18.206","0.004","90","","117.63","0.01","90","","2332","1.6","296","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 Ni O2 S4 -","- C20 H22 N2 Ni O2 S4 -","- C80 H88 N8 Ni4 O8 S16 -","4","1","MU1214","Guo, Y.-H.; Xue, Y.-Q.; Xiong, R.-G.; Zuo, J.-L.; You, X.-Z.; Huang, X.-Y.","(2,9-Dimethyl-1,10-phenanthroline-<i>N</i>^1^,<i>N</i>^10^)bis(<i>O</i>-ethyl dithiocarbonato-<i>S</i>,<i>S</i>')nickel(II)","Acta Crystallographica Section C","1996","52","3","523","525","10.1107/S0108270195010808","","","0.71073","MoKα","","","0.053","","","0.069","","","","","1.78","1.78","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004647","23.6801","0.0009","12.9415","0.0009","7.8455","0.0005","90","","106.069","0.004","90","","2310.4","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Diaqua[2,6-diacetylpyridine bis(thiosemicarbazone)]manganese(II) Diperchlorate","","- C11 H19 Cl2 Mn N7 O10 S2 -","- C11 H19 Cl2 Mn N7 O10 S2 -","- C44 H76 Cl8 Mn4 N28 O40 S8 -","4","0.5","MU1217","Othman, A. H.; Lee, K.-L.; Fun, H.-K.; Yip, B.-C.","Diaqua[2,6-diacetylpyridine bis(thiosemicarbazone)]manganese(II) Diperchlorate","Acta Crystallographica Section C","1996","52","3","602","605","10.1107/S0108270195012145","","","0.71073","MoKα","","0.0579","0.0531","","0.1552","0.1516","","","","1.064","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004648","13.226","0.002","13.23","0.002","14.908","0.003","87.63","0.01","78.64","0.02","66.76","0.01","2348.1","0.7","293","","293","","","","","","","","","7","P -1","-P 1","2","Bromo-bis(triphenylphosphine-P})-(N,N-dibutyl-N'-phenylthiourea-S) copper(I)","Bromobis(triphenylphosphine-P})-(N,N-dibutyl-N'-phenylthiourea-S) copper(I)","","- C51 H54 Br Cu N2 P2 S -","- C51 H54 Br Cu N2 P2 S -","- C102 H108 Br2 Cu2 N4 P4 S2 -","2","1","NA1183","Singh, R.; Dikshit, S. K.","Bromo(<i>N</i>,<i>N</i>-dibutyl-<i>N</i>'-phenylthiourea-<i>S</i>)bis(triphenylphosphine-<i>P</i>)copper(I), [Cu(PPh~3~)~2~(dbptH)Br]","Acta Crystallographica Section C","1996","52","3","635","637","10.1107/S0108270195006500","","","0.71073","MoKα","","0.072","0.037","","0.034","0.032","","","","1.854","2.225","2.225","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004649","6.178","0.001","13.787","0.002","24.819","0.006","90","","90","","90","","2114","0.7","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,8-Dimethyl-2-[(3-furoyl)aminomethyl]-5-phenyl- 2,3-dihydro-1H-1,4-benzodiazepin-4-ium Chloride","","- C23 H24 Cl N3 O2 -","- C23 H24 Cl N3 O2 -","- C92 H96 Cl4 N12 O8 -","4","1","NA1198","Blaton, N. M.; Peeters, O. M.; Meurisse, R. L.; De Ranter, C. J.","2-[(3-Furoyl)aminomethyl]-1,7-dimethyl-5-phenyl-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium Chloride","Acta Crystallographica Section C","1996","52","3","691","692","10.1107/S0108270195012893","","","0.71073","MoKα","","0.0824","0.0407","","0.1109","0.1109","","","","1.03","1.03","1.03","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004650","31.328","0.002","7.236","0.001","13.216","0.002","90","","97.8","0.1","90","","2968.2","1","295","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cl2 Cu N6 O2 -","- C10 H14 Cl2 Cu N6 O2 -","- C80 H112 Cl16 Cu8 N48 O16 -","8","1","NA1199","Valle, G.; Ettorre, R.; Peruzzo, V.","Dichlorobis(1-methylcytosine)copper(II)","Acta Crystallographica Section C","1996","52","3","626","628","10.1107/S0108270195013382","","","0.7107","MoKα","","","0.049","","","0.054","","","","","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004651","14.342","0.001","7.799","0.0008","21.592","0.002","90","0","91.6","0.01","90","0","2414.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tricarbonyl(η^6^-1-tetralol)chromium","","- C13 H12 Cr O4 -","- C13 H12 Cr O4 -","- C104 H96 Cr8 O32 -","8","2","NA1200","Sardone, N.; Seresini, P.; Zecchi, G.","Tricarbonyl(η^6^-1-tetralol)chromium","Acta Crystallographica Section C","1996","52","3","613","615","10.1107/S0108270195012856","","","1.54184","CuKα","","0.04","0.034","","","0.034","","","","","1.07","1.07","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2004652","12.0135","0.0007","4.339","0.002","6.5864","0.0004","90","","90","","90","","343.33","0.16","293","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- B2 O4 Sr -","- B2 O4 Sr -","- B8 O16 Sr4 -","4","0.5","OH1085","Kim, J.-B.; Lee, K.-S.; Suh, I.-H.; Lee, J.-H.; Park, J.-R.; Shin, Y.-H.","Strontium Metaborate, SrB~2~O~4~","Acta Crystallographica Section C","1996","52","3","498","500","10.1107/S0108270195010341","","","0.71073","MoKα","","","0.0504","","","0.0551","","","","","1.5271","1.5271","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004653","10.186","0.004","23.842","0.004","6.62","0.003","90","","90","","90","","1607.7","1","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Sodium (ethylenediaminetetraacetato)gallate(III) trihydrate","","- C10 H18 Ga N2 Na O11 -","- C10 Ga N2 Na O11 -","- C40 Ga4 N8 Na4 O44 -","4","1","OH1086","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium (Ethylenediaminetetraacetato)gallate(III) Trihydrate","Acta Crystallographica Section C","1996","52","3","573","575","10.1107/S0108270195012017","","","0.7107","MoKα","","","0.055","","","0.063","","","","","2.78","2.78","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004654","6.299","0.001","9.432","0.003","6.967","0.002","90","","90","","90","","413.92","0.19","293","1","293","1","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Cl Cu3 Er O8 Se2 -","- Cl Cu3 Er O8 Se2 -","- Cl2 Cu6 Er2 O16 Se4 -","2","0.25","OH1088","Berrigan, R.; Gatehouse, B. M.","Cu~3~Er(SeO~3~)~2~O~2~Cl, the Erbium Analogue of Francisite","Acta Crystallographica Section C","1996","52","3","496","497","10.1107/S0108270195014120","","","0.71073","MoKα","","","0.034","","","0.039","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004655","10.169","0.003","8.748","0.002","15.254","0.005","104.45","0.05","97.4","0.05","109.22","0.05","1207.3","0.9","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H32 N4 O2 -","- C27 H32 N4 O2 -","- C54 H64 N8 O4 -","2","1","PA1199","Pierrot, M.; Giorgi, M.; El Messaoudi, M.; Hasnaoui, A.; El Aatmani, M.; Lavergne, J. P.","3,12-Dimesityl-6,8-dimethyl-5,10-dioxa-1,2,4,11-tetraazatricyclo[7.3.1.0^2,6^]trideca-3,7,11-triene and 3,12-Dimesityl-6,8,13-trimethyl-5,10-dioxa-1,2,4,11-tetraazatricyclo[7.3.1.0^2,6^]trideca-3,7,11-triene","Acta Crystallographica Section C","1996","52","3","736","739","10.1107/S0108270195013126","","","0.71073","MoKα","","","0.041","","","0.054","","","","","1.84","1.84","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004656","9.894","0.003","9.908","0.003","14.78","0.005","105.29","0.05","94.07","0.05","112.2","0.05","1270.2","1","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N4 O2 -","- C28 H34 N4 O2 -","- C56 H68 N8 O4 -","2","1","PA1199","Pierrot, M.; Giorgi, M.; El Messaoudi, M.; Hasnaoui, A.; El Aatmani, M.; Lavergne, J. P.","3,12-Dimesityl-6,8-dimethyl-5,10-dioxa-1,2,4,11-tetraazatricyclo[7.3.1.0^2,6^]trideca-3,7,11-triene and 3,12-Dimesityl-6,8,13-trimethyl-5,10-dioxa-1,2,4,11-tetraazatricyclo[7.3.1.0^2,6^]trideca-3,7,11-triene","Acta Crystallographica Section C","1996","52","3","736","739","10.1107/S0108270195013126","","","0.71073","MoKα","","","0.04","","","0.053","","","","","1.85","1.85","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004657","6.966","0.004","8.993","0.004","10.932","0.004","96.03","0.15","104.12","0.16","104.84","0.16","631.7","1","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 Cr O5 -","- C13 H10 Cr O5 -","- C26 H20 Cr2 O10 -","2","1","PA1203","Lamiot, J.; Baert, F.; Brocard, J.; Goetgheluck, S.","Tricarbonyl(η^6^-3-methyl-2-vinylbenzoic acid)chromium","Acta Crystallographica Section C","1996","52","3","595","597","10.1107/S0108270195013114","","","0.71073","MoKα","","","0.0474","","","0.0479","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004658","12.391","0.004","13.403","0.004","8.849","0.003","98.35","0.02","89.96","0.02","62.55","0.02","1286.5","0.8","173","","","","","","","","","","","8","P -1","-P 1","2","","","","- C17 H18 Cl2 Cu F6 N2 O6 S3 -","- C17 H18 Cl2 Cu F6 N2 O6 S3 -","- C34 H36 Cl4 Cu2 F12 N4 O12 S6 -","2","1","PA1205","Diebold, A.; Kyritsakas, N.; Fischer, J.; Weiss, R.","A Bis(6-methyl-2-pyridylmethyl) Thioether (DMPT) Copper(II) Complex, [Cu(OSO~2~CF~3~)~2~(C~14~H~16~N~2~S)].CH~2~Cl~2~","Acta Crystallographica Section C","1996","52","3","632","634","10.1107/S0108270195012649","","","1.54184","CuKα","","","0.037","","","0.06","","","","","1.364","1.364","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004659","23.85","0.02","6.08","0.01","12.14","0.02","90","","90","","90","","1760","4","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F6 O4 -","- C17 H14 F6 O4 -","- C68 H56 F24 O16 -","4","1","PA1209","Hamzaoui, F.; Baert, F.","A New Pyrethroid Insecticide, RU41414","Acta Crystallographica Section C","1996","52","3","689","690","10.1107/S0108270195013102","","","0.71073","MoKα","","","0.05","","","0.05","","","","","1.07","1.07","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2004660","14.63","0.004","12.616","0.003","11.709","0.003","90","","90","","90","","2161.2","1","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H13 Cl O Ti -","- C11 H13 Cl O Ti -","- C88 H104 Cl8 O8 Ti8 -","8","1","SX1010","Gibson, D. H.; Ding, Y.; Mashuta, M. S.; Richardson, J. F.","Chlorobis(η^5^-cyclopentadienyl)methoxytitanium","Acta Crystallographica Section C","1996","52","3","559","560","10.1107/S0108270195012297","","","0.71073","MoKα","","","0.039","","","0.04","","","","","2.13","2.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004661","6.629","0.001","7.908","0.001","12.985","0.001","82.556","0.008","76.504","0.009","67.621","0.007","611.43","0.13","297","","","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C30 H32 O6 -","2","1","SZ1015","Cote, M. L.; Thompson, H. W.; Lalancette, R. A.","Hydrogen-Bonding Pattern of a β-Keto Acid: (±)-10-oxo-3,4-benzobicyclo[4.3.1]dec-3-ene-1-carboxylic Acid","Acta Crystallographica Section C","1996","52","3","684","687","10.1107/S0108270195012303","","","0.71073","MoKα","","","0.045","","","0.0581","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004662","7.668","0.002","8.997","0.001","9.01","0.002","115.75","0.02","91.32","0.02","97.45","0.02","552.9","0.2","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H15 O4 P -","- C8 H15 O4 P -","- C16 H30 O8 P2 -","2","1","SZ1035","Sanders, T. C.; Hammond, G. B.; Golen, J. A.; Williard, P. G.","Diethyl (1-Hydroxy-2-butynyl)phosphonate","Acta Crystallographica Section C","1996","52","3","667","669","10.1107/S0108270195012315","","","0.71073","MoKα","","","0.075","","","0.089","","","","","1.76","1.76","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004663","8.758","0.002","10.01","0.004","28.466","0.006","90","0.02","90","0.02","90","0.02","2495.5","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","1","TA1034","Cambie, R. C.; Lal, A. R.; Rickard, C. E. F.","A Sesterterpene Lactone from <i>Petrosaspongia nigra</i> sp. nov.","Acta Crystallographica Section C","1996","52","3","709","711","10.1107/S0108270195010857","","","0.71069","MoKα","","0.0984","0.0564","","0.2345","0.1183","","","","1.102","1.103","1.103","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004664","12.141","0.002","12.01","0.001","19.248","0.002","90","","97.03","0.01","90","","2785.5","0.6","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(2-aminoethyl)-N,N'-bis(2-ammonioethyl)ethylenediamineplatinum(II) bis(tetrachloroplatinate) trihydrate","","- C10 H36 Cl8 N6 O3 Pt3 -","- C10 H30 Cl8 N6 O3 Pt3 -","- C40 H120 Cl32 N24 O12 Pt12 -","4","1","TA1044","Sakai, K.; Tanaka, Y.; Tsubomura, T.","[<i>N</i>,<i>N</i>'-Bis(2-aminoethyl-κ<i>N</i>)-<i>N</i>,<i>N</i>'-bis(2-ammonioethyl)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']platinum(II) Bis(tetrachloroplatinate) Trihydrate","Acta Crystallographica Section C","1996","52","3","541","543","10.1107/S0108270195011413","","","0.71069","MoKα","","","0.0669","","","0.0443","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004665","17.578","0.003","9.909","0.004","22.945","0.004","90","","90","","90","","3996.6","1.9","296","1","296","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl Ni P -","- C23 H20 Cl Ni P -","- C184 H160 Cl8 Ni8 P8 -","8","1","TA1050","Hockless, D. C. R.; Whittall, I. R.; Humphrey, M. G.","Chloro(η^5^-cyclopentadienyl)(triphenylphosphine)nickel(II)","Acta Crystallographica Section C","1996","52","3","535","537","10.1107/S0108270195011103","","","0.7107","MoKα","","","0.0323","","","0.021","","","","","1.728","1.728","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004666","12.575","0.002","14.454","0.003","18.365","0.004","90","","90","","90","","3338","1.1","293","","293.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 F6 Fe P4 -","- C33 H34 F6 Fe P4 -","- C132 H136 F24 Fe4 P16 -","4","1","TA1051","Pabel, M.; Willis, A. C.; Wild, S. B.","[<i>R</i>-(<i>R</i>*,<i>R</i>*)]-(η^5^-Cyclopentadienyl)[1,2-phenylenebis(methylphenylphosphine-<i>P</i>)](1-phenylphosphirane-<i>P</i>)iron(II) Hexafluorophosphate","Acta Crystallographica Section C","1996","52","3","557","559","10.1107/S0108270195011784","","","0.7107","MoKα","","","0.056","","","0.032","","","","","1.96","1.96","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004667","7.089","0.003","13.781","0.001","10.141","0.003","90","","91.39","0.03","90","","990.4","0.5","213","1","213","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 N2 Pt S4 -","- C16 H28 N2 Pt S4 -","- C32 H56 N4 Pt2 S8 -","2","0.5","TA1052","Heath, G. A.; Hockless, D. C. R.; Prenzler, P. D.","Bis(<i>N</i>,<i>N</i>-<i>cyclo</i>-heptamethylenedithiocarbamato-<i>S</i>,<i>S</i>')platinum(II), a Platinum Dithiocarbamate Containing a Large Carbocyclic Ring","Acta Crystallographica Section C","1996","52","3","537","539","10.1107/S0108270195011383","","","0.7107","MoKα","","","0.035","","","0.047","","","","","2.82","2.82","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004668","7.025","0.0014","8.408","0.002","21.89","0.004","90","","97.89","0.03","90","","1280.7","0.5","150","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","monophenyl carborane","1-Phenyl-1,2-dicarba-closo-dodecaborane","","- C8 H16 B10 -","- C8 H16 B10 -","- C32 H64 B40 -","4","1","AB1287","Thomas, R. Ll.; Rosair, G. M.; Welch, A. J.","A New Crystalline Form of 1-Phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1996","52","4","1024","1026","10.1107/S010827019501198X","","","0.71073","MoKα","","0.0632","0.0544","","0.1431","0.1362","","","","1.031","1.072","1.072","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004669","8.289","0.005","6.312","0.004","11.786","0.004","90","","93.19","0.03","90","","615.7","0.6","295","1","295","1","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 -","- C18 H12 -","- C36 H24 -","2","0.5","AB1295","Capparelli, M. V.; Machado, R.; De Sanctis, Y.; Arce, A. J.","<i>trans</i>-1,1'-Bis(indenylidene)","Acta Crystallographica Section C","1996","52","4","947","949","10.1107/S0108270195014600","","","0.71069","MoKα","","","0.0421","","","0.0428","","","","","2.908","2.908","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004670","10.89","0.001","17.714","0.003","8.94","0.001","97.24","0.01","105.824","0.008","93.82","0.01","1636.8","0.4","243","2","243","2","","","","","","","","6","P 1","P 1","1","","(S)-(+)-[(benzyloxymethyl)(tert-butyl)methylsilyl] methyl ketone 2,4,6- triisopropylphenylsulfonylhydrazone","","- C30 H48 N2 O3 S Si -","- C30 H48 N2 O3 S Si -","- C60 H96 N4 O6 S2 Si2 -","2","2","AB1320","Bratovanov, S.; Linden, A.; Bienz, S.","Absolute Configuration of (<i>S</i>)-(+)-[(Benzyloxymethyl)(<i>tert</i>-butyl)methylsilyl] Methyl Ketone","Acta Crystallographica Section C","1996","52","4","1045","1047","10.1107/S0108270195014338","","","0.71073","MoKα","","0.0853","0.0501","","0.1446","0.127","","","","1.012","1.046","1.046","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004671","7.133","0.001","13.206","0.001","20.355","0.005","90","","90","","90","","1917.4","0.6","294","1","294","1","","","","","","","","4","P c a b","-P 2bc 2ac","61","","N,N-Dimethyl-2,4-dinitroaniline","","- C8 H9 N3 O4 -","- C8 H9 N3 O4 -","- C64 H72 N24 O32 -","8","1","AB1321","Low, J. N.; Doidge-Harrison, S. M. S. V.; Cobo, J.","<i>N</i>,<i>N</i>-Dimethyl-2,4-dinitroaniline","Acta Crystallographica Section C","1996","52","4","964","966","10.1107/S0108270195014612","","","0.7107","MolybdenumKα","","0.1113","0.0464","","0.1099","0.0986","","","","0.799","1.146","1.146","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004672","25.303","0.003","9.953","0.004","25.071","0.003","90","","112.08","0.01","90","","5851","3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2,2'-bipyridyl)(methyl)(phenyl)palladium(II)","","- C17 H16 N2 Pd -","- C17 H16 N2 Pd -","- C272 H256 N32 Pd16 -","16","4","AB1331","Spek, A. L.; Janssen, M. D.; Markies, B. A.; van Koten, G.","A Second Polymorph of 2,2'-Bipyridyl(methyl)(phenyl)palladium(II)","Acta Crystallographica Section C","1996","52","4","868","871","10.1107/S0108270195014909","","","0.71073","MoKα","","","0.069","","","0.19","","","","","1.023","1.023","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004673","22.264","0.004","14.249","0.004","22.004","0.003","90","","93.562","0.015","90","","6967","3","294","1","294","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[μ-bis(diphenylphosphino)hexane-P,P']digold(I) hexafluoroantimonate acetonitrile solvate","","- C63.2 H68.8 Au2 F12 N1.6 P4 Sb2 -","- C60 H64 Au2 F12 P4 Sb2 -","- C240 H256 Au8 F48 P16 Sb8 -","4","0.5","AB1344","Ferguson, G.; Gabe, E. J.; Spalding, T. R.; Kelleher, A.-M.","Bis[μ-bis(diphenylphosphino)hexane-<i>P</i>:<i>P</i>']digold(I) Hexafluoroantimonate Acetonitrile Solvate","Acta Crystallographica Section C","1996","52","4","768","770","10.1107/S0108270196000996","","","0.7107","MolybdenumKα","","0.0798","0.0372","","0.0982","0.0891","","","","0.985","1.144","1.144","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004674","9.9005","0.0008","10.5082","0.0012","11.314","0.002","62.779","0.014","72.583","0.011","88.966","0.008","988.9","0.3","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","trans-bis(tricyclohexylphosphine)tetracarbonylmolybdenum(0)","","- C40 H66 Mo O4 P2 -","- C40 H66 Mo O4 P2 -","- C40 H66 Mo O4 P2 -","1","0.5","AB1347","Alyea, E. C.; Ferguson, G.; Kannan, S.","<i>trans</i>-Tetracarbonylbis(tricyclohexylphosphine)molybdenum(0), <i>trans</i>-[Mo(CO)~4~(PCy~3~)~2~]","Acta Crystallographica Section C","1996","52","4","765","767","10.1107/S010827019600100X","","","0.7107","MolybdenumKα","","0.0844","0.0411","","0.0925","0.0841","","","","0.962","1.091","1.091","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004675","9.498","0.002","14.443","0.003","20.318","0.004","78.56","0.03","85.43","0.03","88.77","0.03","2723.1","1","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H26 O2 -","- C37 H26 O2 -","- C148 H104 O8 -","4","2","AS1145","Mathew, T.; Kumar, S. A.; Das, S.; Rath, N. P.; George, M. V.","A Photoproduct Derived from 9-Benzyl-Substituted Dibenzobarrelene","Acta Crystallographica Section C","1996","52","4","942","944","10.1107/S0108270195013667","","","1.54178","CuKα","","","0.0571","","","0.0796","","","","","1.01","1.01","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004676","7.424","0.001","7.325","0.001","13.959","0.001","78.67","0.01","75.15","0.01","63.98","0.01","656.28","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 N4 O S -","- C15 H12 N4 O S -","- C30 H24 N8 O2 S2 -","2","1","AS1188","Song, C. E.; Jin, B. W.; Jeong, J. H.","3-(6-Methoxy-2-benzimidazolyl)benzothiazolin-2-imine","Acta Crystallographica Section C","1996","52","4","962","964","10.1107/S0108270195013357","","","0.71073","MoKα","","0.0388","0.0376","","0.1006","0.0996","","","","1.099","1.108","1.108","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004677","10.246","0.002","14.487","0.002","4.2536","0.0005","90","","90.23","0.01","90","","631.37","0.17","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H8 B2 I2 -","- C12 H8 B2 I2 -","- C24 H16 B4 I4 -","2","0.25","AS1194","Akutsu, H.; Kozawa, K.; Uchida, T.","5,10-Diiodo-5,10-dihydroboranthrene","Acta Crystallographica Section C","1996","52","4","991","993","10.1107/S0108270195010742","","","0.71073","MoKα","","","0.054","","","0.039","","","","","1.53","1.53","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004678","27.638","0.002","11.938","0.003","16.433","0.002","90","","120.208","0.006","90","","4685.7","1.4","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(μ~3~-oxo-O,O,O)-heptakis(μ~2~-acetato-O,O')-bis(2,2'-bipyridine) tetramanganese(III) perchlorate","","- C34 H37 Cl Mn4 N4 O20 -","- C33 H37 Cl Mn4 N4 O20 -","- C132 H148 Cl4 Mn16 N16 O80 -","4","0.5","AS1198","Tamane, T.; Tsubomura, T.; Sakai, K.","[Mn~4~^III^(μ~3~-O)~2~(μ-O~2~CMe)~7~(2,2'-bipyridine)~2~]ClO~4~","Acta Crystallographica Section C","1996","52","4","777","779","10.1107/S0108270195013333","","","0.71069","MoKα","","","0.0752","","","0.066","","","","","3.33","3.33","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004679","8.27","0.002","9.361","0.002","10.689","0.002","113.88","0.01","98.81","0.02","105.94","0.01","693.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1'-(dithiodicarbonothioyl)bispyrrolidine.","","- C10 H16 N2 S4 -","- C10 H16 N2 S4 -","- C20 H32 N4 S8 -","2","1","AS1200","Yamin, B. M.; Suwandi, S. A.; Fun, H.-K.; Sivakumar, K.; Shawkataly, O. B.","Triclinic Form of Dipyrrolidinylthiuram Disulfide","Acta Crystallographica Section C","1996","52","4","951","953","10.1107/S0108270195013059","","","0.71073","MoKα","","0.0755","0.043","","0.1146","0.1044","","","","0.869","1.049","1.049","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004680","8.826","0.001","9.464","0.001","35.02","0.004","90","","90","","90","","2925.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Gly-Gly-(L)-Phe-(D)-Leu-OMe dihydrate","","","- C25 H42 N4 O9 -","- C25 H42 N4 O9 -","- C100 H168 N16 O36 -","4","1","AS1206","Fenude, E.; Casalone, G.","Three Protected Tetrapeptides","Acta Crystallographica Section C","1996","52","4","973","978","10.1107/S0108270195013345","","","0.71073","MoKα","","0.0841","0.0477","","0.1071","0.0922","","","","1.055","1.103","1.103","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004681","8.919","0.002","9.353","0.001","35.408","0.004","90","","90","","90","","2953.7","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Boc-Gly-Gly-(L)-Phe-(D)-Met-OMe dihydrate","","","- C24 H40 N4 O9 S -","- C24 H40 N4 O9 S -","- C96 H160 N16 O36 S4 -","4","1","AS1206","Fenude, E.; Casalone, G.","Three Protected Tetrapeptides","Acta Crystallographica Section C","1996","52","4","973","978","10.1107/S0108270195013345","","","0.71073","MoKα","","0.0762","0.0507","","0.1316","0.116","","","","1.006","1.033","1.033","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004682","8.879","0.001","9.344","0.001","35.674","0.004","90","","90","","90","","2959.7","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Gly-Gly-(D)-Phe-(L)-Nle-OMe dihydrate","","","- C25 H42 N4 O9 -","- C25 H42 N4 O9 -","- C100 H168 N16 O36 -","4","1","AS1206","Fenude, E.; Casalone, G.","Three Protected Tetrapeptides","Acta Crystallographica Section C","1996","52","4","973","978","10.1107/S0108270195013345","","","0.71073","MoKα","","0.0808","0.0455","","0.1043","0.0917","","","","1.018","1.094","1.094","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004683","11.323","0.002","17.602","0.004","9.852","0.002","90","","101.94","0.02","90","","1921.1","0.7","298","","","","","","","","","","","3","P 1 21/m 1","","","","","","- C75 H14 O2 -","- C72.5 H14 O2 -","- C145 H28 O4 -","2","0.5","AS1208","Tezuka, Y.; Kawasaki, N.; Yajima, H.; Ishii, T.; Oyama, T.; Takeuchi, K.; Nakao, A.; Katayama, C.","Bis(4-methoxyphenyl)methano[60]fullerene with a Methano Bridge at the 6‒6-Ring Junction","Acta Crystallographica Section C","1996","52","4","1008","1010","10.1107/S0108270195013096","","","0.71073","MoKα","","","0.041","","","0.038","","","","","0.756","0.756","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004684","8.759","0.001","11.745","0.003","7.322","0.001","91.54","0.02","111.07","0.01","82","0.02","695.8","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 O4 S3 -","- C12 H14 O4 S3 -","- C24 H28 O8 S6 -","2","1","AS1212","Parvez, M.; Mesher, S. T. E.; Clark, P. D.","2,3-Bis(ethylsulfonyl)benzo[<i>b</i>]thiophene","Acta Crystallographica Section C","1996","52","4","905","907","10.1107/S0108270195013369","","","0.71069","MoKα","","","0.0375","","","0.0383","","","","","2.081","2.081","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004685","6.959","0.001","10.778","0.002","9.489","0.002","90","","109.28","0.02","90","","671.8","0.2","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H8 N6 O3 -","- C2 H8 N6 O3 -","- C8 H32 N24 O12 -","4","1","BK1041","Martin, A.; Pinkerton, A. A.; Schiemann, A.","Energetic Materials: the Biguanidium Nitrates","Acta Crystallographica Section C","1996","52","4","966","970","10.1107/S0108270195012200","","","0.71073","MoKα","","0.046","0.046","","","0.048","","","","","1.42","1.42","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004686","14.0232","0.0008","6.8842","0.0005","8.9541","0.0005","90","","90","","90","","864.42","0.09","193","","193","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C2 H9 N7 O6 -","- C2 H9 N7 O6 -","- C8 H36 N28 O24 -","4","1","BK1041","Martin, A.; Pinkerton, A. A.; Schiemann, A.","Energetic Materials: the Biguanidium Nitrates","Acta Crystallographica Section C","1996","52","4","966","970","10.1107/S0108270195012200","","","0.71073","MoKα","","0.033","0.027","","","0.037","","","","","0.854","0.854","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004687","7.409","0.001","7.619","0.001","9.843","0.001","82.02","0.01","83.2","0.01","69.92","0.01","515.3","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H9 Cl2 N5 O8 -","- C2 H9 Cl2 N5 O8 -","- C4 H18 Cl4 N10 O16 -","2","1","BK1092","Martin, A.; Pinkerton, A. A.","Two Energetic Ionic Materials: the Biguanidium Perchlorates","Acta Crystallographica Section C","1996","52","4","1048","1052","10.1107/S0108270195014624","","","0.71073","MoKα","","0.042","0.03","","","0.035","","","","","3.205","3.205","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004688","7.7421","0.0009","9.874","0.002","12.267","0.002","112.75","0.01","91.89","0.01","111.91","0.01","784.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H8 Cl N5 O4 -","- C2 H8 Cl1.5 N5 O6 -","- C8 H32 Cl6 N20 O24 -","4","2","BK1092","Martin, A.; Pinkerton, A. A.","Two Energetic Ionic Materials: the Biguanidium Perchlorates","Acta Crystallographica Section C","1996","52","4","1048","1052","10.1107/S0108270195014624","","","0.71073","MoKα","","0.045","0.036","","","0.047","","","","","2.677","2.677","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004689","6.759","0.002","13.803","0.001","15.124","0.003","90","","109.43","0.01","90","","1330.6","0.5","293","","","","","","","","","","","6","P 1 21/c 1","","","","","","- C12 H10 Cu N3 O5 P -","- C24 H20 Cu2 N6 O10 P2 -","- C48 H40 Cu4 N12 O20 P4 -","2","0.5","BK1160","Parker, O. J.; Harvey, R. M.; Breneman, G. L.","Di-μ-phosphinato-bis[(1,10-phenanthroline)copper(II)] Nitrate, [Cu~2~(H~2~PO~2~)~2~(phen)~2~](NO~3~)~2~","Acta Crystallographica Section C","1996","52","4","871","873","10.1107/S0108270195010675","","","0.71073","MoKα","","","0.029","","","0.054","","","","","2.55","2.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004690","9.72","0.004","7.657","0.002","14.708","0.007","90","","103.63","0.04","90","","1063.8","0.7","298","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H38 O4 -","- C22 H38 O4 -","- C44 H76 O8 -","2","1","BK1162","Zhou, L.; Timmermann, B. N.; Grittini, C.; Bruck, M. A.; Enemark, J. H.","Tarapacol 15-Acetate, a New Diterpenoid from <i>Grindelia tarapacana Phil</i>.","Acta Crystallographica Section C","1996","52","4","1042","1044","10.1107/S0108270195013473","","","0.71073","MoKα","","","0.06","","","0.067","","","","","1.92","1.92","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004691","9.527","0.001","10.731","0.001","22.525","0.002","90","","99.63","0.01","90","","2270.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bisdiphenylphosphino methane disulfide","","- C25 H22 P2 S2 -","- C25 H22 P2 S2 -","- C100 H88 P8 S8 -","4","1","BK1168","Carmalt, C. J.; Cowley, A. H.; Decken, A.; Lawson, Y. G.; Norman, N. C.","Bis(diphenylphosphino)methane Disulfide","Acta Crystallographica Section C","1996","52","4","931","933","10.1107/S0108270195013230","","","0.71073","MoKα","","0.0643","0.046","","0.108","0.0927","","","","1.124","1.138","1.138","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004692","14.105","0.004","32.281","0.004","18.473","0.003","90","","107.38","0.01","90","","8027","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Oxo-bis[(5,10,15,20-tetraphenylporphyrinato)oxomolybdenum(V)]","","- C88.5 H60 Cl Mo2 N8 O4.5 -","- C88.5 H60 Cl Mo2 N8 O4.5 -","- C354 H240 Cl4 Mo8 N32 O18 -","4","1","BK1173","Cheng, B.; Scheidt, W. R.","μ-Oxo-bis[(5,10,15,20-tetraphenylporphyrinato)oxomolybdenum(V)]","Acta Crystallographica Section C","1996","52","4","832","835","10.1107/S0108270195014648","","","0.71073","MoKα","","0.0581","0.0466","","0.1684","0.1421","","","","1.093","1.097","1.097","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004693","13.236","0.003","17.146","0.005","20.781","0.006","90","","103.04","0.02","90","","4595","2","296","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H45 N O6 P2 Re2 -","- C51 H45 N O8 P2 Re2 -","- C204 H180 N4 O32 P8 Re8 -","4","1","BK1177","Gibson, D. H.; Bardon, R. F.; Mehta, J. M.; Mashuta, M. S.; Richardson, J. F.","1-Carbonyl-2,2-<i>cis</i>-dicarbonyl-μ-formato-1<i>C</i>:2<i>O</i>,<i>O</i>'-1-nitrosyl-1-(η^5^-pentamethylcyclopentadienyl)-2,2-<i>trans</i>-bis(triphenylphosphine)dirhenium","Acta Crystallographica Section C","1996","52","4","852","854","10.1107/S010827019501376X","","","0.71073","MoKα","","","0.034","","","0.034","","","","","1.59","1.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004694","5.8867","0.0008","7.023","0.001","17.9952","0.0007","90","","92.473","0.008","90","","743.27","0.15","294.2","","294.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O3 -","- C7 H9 N O3 -","- C28 H36 N4 O12 -","4","1","BK1178","Tzou, J.-R.; Huang, A.; Fleming, F. F.; Norman, R. E.; Chang, S.-C.","1-Cyanomethyl-6,7,8-trioxabicyclo[3.2.1]octane","Acta Crystallographica Section C","1996","52","4","1012","1014","10.1107/S0108270195014004","","","0.7107","MoKα","","","0.037","","","0.0424","","","","","1.913","1.913","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004695","15.683","0.002","8.888","0.002","12.653","0.003","90","","90","","90","","1763.7","0.6","296","","296.2","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Diaquabis(1-H-3-methyl-4-amine-5-thione-1,2,4-triazole)nickel(II) nitrate","","- C6 H16 N10 Ni O8 S2 -","- C6 H16 N10 Ni O8 S2 -","- C24 H64 N40 Ni4 O32 S8 -","4","0.5","BK1184","Sen, A. K.; Dubey, S. N.; Squattrito, P. J.","Diaquabis(4-amino-3-methyl-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione)nickel(II) Nitrate: a Sulfur‒Nitrogen Chelate","Acta Crystallographica Section C","1996","52","4","865","868","10.1107/S010827019501496X","","","0.7107","MoKα","","0.0673","0.035","","0.0355","0.033","","","","","2.166","2.166","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004696","5.564","0.002","5.327","0.002","34.038","0.002","90","","92.81","0.02","90","","1007.7","0.5","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","fluorene-1-carboxylic acid","","","- C14 H10 O2 -","- C14 H10 O2 -","- C56 H40 O8 -","4","1","BK1185","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Fluorene-1-carboxylic Acid","Acta Crystallographica Section C","1996","52","4","907","910","10.1107/S0108270195014971","","","0.71073","MoKα","","","0.054","","","0.066","","","","","2.06","2.06","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004697","6.0904","0.0009","18.414","0.004","9.94","0.002","90","","96.999","0.012","90","","1106.5","0.4","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 Cl2 O4 Ru -","- C7 H8 Cl2 O4 Ru -","- C28 H32 Cl8 O16 Ru4 -","4","1","BK1187","Gray, G. M.; Duffey, C. H.","<i>fac</i>-Tricarbonyldichloro(tetrahydrofuran)ruthenium(II)","Acta Crystallographica Section C","1996","52","4","861","863","10.1107/S0108270195015174","","","0.71073","MoKα","","","0.039","","","0.048","","","","","1.022","1.022","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004698","13.084","0.003","6.527","0.001","15.397","0.003","90","","104.66","0.02","90","","1272.1","0.4","138","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O S -","- C14 H19 N O S -","- C56 H76 N4 O4 S4 -","4","1","BK1188","Hossain, M. B.; van der Helm, D.; Sangiah, S.; Berlin, K. D.","7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonane 3-Oxide","Acta Crystallographica Section C","1996","52","4","995","998","10.1107/S0108270195015447","","","0.71073","MoKα","","","0.044","","","0.043","","","","","1.9","1.9","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004699","11.273","0.003","10.41","0.004","13.796","0.003","90","","100.35","0.02","90","","1592.6","0.8","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-amino-4-hydroxybenzenesulfonic acid hemihydrate","","- C6 H8 N O4.5 S -","- C6 H8 N O4.5 S -","- C48 H64 N8 O36 S8 -","8","2","BK1189","Gunderman, B. J.; Squattrito, P. J.","3-Amino-4-hydroxybenzenesulfonic Acid Hemihydrate","Acta Crystallographica Section C","1996","52","4","940","942","10.1107/S0108270195014466","","","0.7107","MoKα","","0.0563","0.038","","0.0413","0.04","","","","","2.65","2.65","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004700","3.888","0.003","9.984","0.004","27.537","0.008","90","","93.09","0.08","90","","1067.4","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-amino-5-bromobenzoyl)pyridine","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C48 H36 Br4 N8 O4 -","4","1","BM1039","Cox, P. J.; Anisuzzaman, A. T. Md.; Pryce-Jones, R. H.; Shankland, N.; Skellern, G. G.","2-(2-Amino-5-bromobenzoyl)pyridine","Acta Crystallographica Section C","1996","52","4","929","931","10.1107/S0108270195014776","","","0.71069","MoKα","","0.0571","0.0427","","0.0915","0.0895","","","","1.01","1.166","1.166","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004701","10.995","0.002","14.837","0.003","10.316","0.002","102.63","0.02","96.95","0.02","83.16","0.02","1622.6","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","diethylgallium diphenylphosphinate","","- C32 H40 Ga2 O4 P2 -","- C32 H40 Ga2 O4 P2 -","- C64 H80 Ga4 O8 P4 -","2","1","BM1040","Browning, D. J.; Corker, J. M.; Webster, M.","Diethylgallium Diphenylphosphinate","Acta Crystallographica Section C","1996","52","4","882","884","10.1107/S0108270195014508","","","0.71069","MoKα","","0.0459","0.0308","","0.0894","0.082","","","","1.02","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004702","12.552","0.003","19.18","0.003","9.997","0.002","90","","90","","90","","2406.8","0.8","293","","293","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","octacaesium decatungstosilicate nonahydrate","","- Cs8 H18 O43 Si W10 -","- Cs8 O45 Si W10 -","- Cs16 O90 Si2 W20 -","2","0.5","BR1104","Hartl, H.; Hubert, V.","Octacaesium Decatungstosilicate Nonahydrate","Acta Crystallographica Section C","1996","52","4","757","759","10.1107/S0108270195014284","","","0.7107","MoKα","","0.073","0.07","","0.07","0.07","","","","4.142","4.232","4.232","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004703","8.2508","0.0006","8.2508","0.0006","18.745","0.002","90","","90","","120","","1105.12","0.16","293","2","","","","","","","","","","7","P 63/m","-P 6c","","","","","- C6 H10 Bi La N6 O5 S6 -","- C6 H6 Bi La N6 O5 S6 -","- C12 H12 Bi2 La2 N12 O10 S12 -","2","0.166667","BR1118","Maniukiewicz, W.; Sieron, L.; Bukowska-Strzyzewska, M.; Turek, A.","Triaquahexathiocyanatobismuthlanthanum Dihydrate, [Bi(SCN)~6~La(H~2~O)~3~].2H~2~O, and Triaquahexathiocyanatobismuthneodymium Dihydrate, [Bi(SCN)~6~Nd(H~2~O)~3~].2H~2~O","Acta Crystallographica Section C","1996","52","4","753","757","10.1107/S0108270195013801","","","0.71073","MoKα","","0.0329","0.0277","","0.0593","0.0537","","","","1.162","1.172","1.172","","","","","has coordinates","208743","2020-10-21","18:00:00",""
"2004704","8.2","0.002","8.2","0.002","18.606","0.003","90","","90","","120","","1083.5","0.4","293","2","","","","","","","","","","7","P 63/m","-P 6c","","","","","- C6 H10 Bi N6 Nd O5 S6 -","- C6 H6 Bi N6 Nd O5 S6 -","- C12 H12 Bi2 N12 Nd2 O10 S12 -","2","0.166667","BR1118","Maniukiewicz, W.; Sieron, L.; Bukowska-Strzyzewska, M.; Turek, A.","Triaquahexathiocyanatobismuthlanthanum Dihydrate, [Bi(SCN)~6~La(H~2~O)~3~].2H~2~O, and Triaquahexathiocyanatobismuthneodymium Dihydrate, [Bi(SCN)~6~Nd(H~2~O)~3~].2H~2~O","Acta Crystallographica Section C","1996","52","4","753","757","10.1107/S0108270195013801","","","0.71073","MoKα","","0.0567","0.0464","","0.141","0.1199","","","","1.071","1.078","1.078","","","","","has coordinates","208743","2020-10-21","18:00:00",""
"2004705","10.622","0.003","5.459","0.002","13.708","0.004","90","","104.4","0.02","90","","769.9","0.4","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 N3 O2 S -","- C7 H5 N3 O2 S -","- C28 H20 N12 O8 S4 -","4","1","CF1034","Lokaj, J.; Vrábel, V.; Ilavský, D.; Bartovič, A.","2-Amino-4-nitrobenzothiazole","Acta Crystallographica Section C","1996","52","4","1040","1042","10.1107/S0108270195012728","","","0.71073","MoKα","","","0.037","","","0.042","","","","","1.34","1.34","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004706","8.006","0.001","12.097","0.002","8.794","0.001","90","","101.12","0.01","90","","835.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-1-acetoxymethyl-2-acetyl-1-methyl- 1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C34 H46 N2 O10 -","2","1","CF1035","Maurin, J. K.; Czarnocki, Z.; Paluchowska, B.","(<i>S</i>)-1-Acetoxymethyl-2-acetyl-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methylisoquinoline","Acta Crystallographica Section C","1996","52","4","953","955","10.1107/S0108270195014491","","","1.54178","CuKα","","0.0446","0.0355","","0.1024","0.0967","","","","1.033","1.079","1.079","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004707","8.104","0.001","9.975","0.001","9.986","0.002","90","","90","","90","","807.2","0.2","195","3","195","3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Dibromo-1,4-disilabutane","","- C2 H8 Br2 Si2 -","- C2 H8 Br2 Si2 -","- C8 H32 Br8 Si8 -","4","0.5","CF1041","Mitzel, N. W.; Riede, J.; Schmidbaur, H.","1,4-Dibromo-1,4-disilabutane","Acta Crystallographica Section C","1996","52","4","980","982","10.1107/S010827019501451X","","","0.71069","MoKα","","0.0485","0.0315","","0.0779","0.0676","","","","1.168","1.243","1.243","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004708","20.455","0.002","8.528","0.0008","20.338","0.002","90","","92.237","0.007","90","","3545.1","0.6","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Ferrocenyl-3-phenylquinoxaline","","- C24 H18 Fe N2 -","- C24 H18 Fe N2 -","- C192 H144 Fe8 N16 -","8","1","CF1042","Glidewell, C.; Scott, J. P.; Ferguson, G.","2-Ferrocenyl-3-phenylquinoxaline","Acta Crystallographica Section C","1996","52","4","770","773","10.1107/S0108270195015022","","","0.7107","MolybdenumKα","","0.0594","0.034","","0.0883","0.0823","","","","1.012","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004709","7.643","0.001","9.8349","0.0012","18.629","0.002","90","","90","","90","","1400.3","0.3","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ferrocenyl-2-phenylethanedione","","- C18 H14 Fe O2 -","- C18 H14 Fe O2 -","- C72 H56 Fe4 O8 -","4","1","CF1043","Glidewell, C.; Gottfried, M. J.; Trotter, J.; Ferguson, G.","1-Ferrocenyl-2-phenylethanedione","Acta Crystallographica Section C","1996","52","4","773","775","10.1107/S0108270195015034","","","0.7107","MolybdenumKα","","0.0561","0.0319","","0.0712","0.0658","","","","0.977","1.071","1.071","","","","","has coordinates","192282","2020-10-21","18:00:00",""
"2004710","9.509","0.002","10.312","0.002","11.541","0.002","99.51","0.02","90.59","0.02","100.24","0.02","1097.4","0.4","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Bis(1-ferrocenylpropyl) ether","","- C26 H30 Fe2 O -","- C26 H30 Fe2 O -","- C52 H60 Fe4 O2 -","2","1","CF1047","Ferguson, G.; Trotter, J.; Glidewell, C.; Zakaria, C. M.","Racemic Bis(1-ferrocenylpropyl) Ether","Acta Crystallographica Section C","1996","52","4","775","777","10.1107/S0108270195015046","","","0.7107","MolybdenumKα","","0.0528","0.0336","","0.0869","0.0816","","","","1.019","1.122","1.122","","","","","has coordinates","192283","2020-10-21","18:00:00",""
"2004711","11.222","0.005","10.725","0.008","12.002","0.008","90","","98.03","0.05","90","","1430.3","1.6","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 I3 N2 -","- C10 H9 I3 N2 -","- C40 H36 I12 N8 -","4","1","CF1051","Fialho De Assis, E.; Howie, R. A.; Wardell, J. L.","2-(2-Pyridyl)pyridinium Triiodide","Acta Crystallographica Section C","1996","52","4","955","957","10.1107/S0108270195014533","","","0.71073","MoKα","","","0.057","","","0.067","","","","","0.61","0.61","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004712","7.7051","0.0009","8.061","0.0008","20.419","0.002","90","","93.338","0.009","90","","1266.1","0.2","296","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 I O3 -","- C13 H11 I O3 -","- C52 H44 I4 O12 -","4","2","CR1135","Prince, P.; Fronczek, F. R.; Gandour, R. D.","1-Iodo-2-methoxy-7-naphthyl Acetate","Acta Crystallographica Section C","1996","52","4","944","947","10.1107/S0108270195010432","","","0.71073","MoKα","","","0.0417","","","0.0485","","","","","2.493","2.493","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004713","7.156","0.001","8.599","0.004","11.06","0.004","100.02","0.03","104.81","0.02","96.2","0.03","639.6","0.4","288","2","288","2","","","","","","","","5","P -1","-P 1","2","2-Aminoperimidine hydrobromide dihydrate","","","- C11 H14 Br N3 O2 -","- C11 H13 Br N3 O2 -","- C22 H26 Br2 N6 O4 -","2","1","CR1182","Baker, S. M.; Baughman, R. G.; Meloan, C. E.; Mumba, P.","2-Aminoperimidinium Bromide Dihydrate","Acta Crystallographica Section C","1996","52","4","998","1000","10.1107/S010827019501208X","","","0.71073","MoKα","","0.0596","0.0364","","0.0898","0.0777","","","","1.007","1.036","1.036","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004714","11.873","0.002","14.322","0.004","17.541","0.006","90","","90","","90","","2982.8","1.4","295","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","1","DE1005","Ghosh, K.; Pramanik, A.","(1<i>RS</i>,4a<i>SR</i>,12a<i>SR</i>)-1-Methyl-1,2,3,4,4a,5,6,7,12,12a-decahydrodibenzo[<i>a</i>,<i>d</i>]cyclooctene-1,4a-carbolactone","Acta Crystallographica Section C","1996","52","4","1029","1030","10.1107/S0108270195013199","","","0.71073","MoKα","","","0.0708","","","0.0705","","","","","1.09","1.09","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004715","14.8793","0.0007","8.9205","0.0006","7.2837","0.0004","90","","90","","90","","966.77","0.1","294","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H11 Cl N2 O S -","- C6 H11 Cl N2 O S -","- C24 H44 Cl4 N8 O4 S4 -","4","1","DE1010","Seth, S.; Das, A. K.; Mak, T. C. W.","An Unusual C(<i>sp</i>^2^)—H···Cl Interaction in the Solid State: Reinvestigation of 4,6-Dimethylpyrimidine-2-thione Hydrochloride Monohydrate","Acta Crystallographica Section C","1996","52","4","910","913","10.1107/S0108270195012388","","","0.71073","MoKα","","","0.034","","","0.037","","","","","1.116","1.116","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004716","12.462","0.002","7.722","0.002","15.453","0.003","90","","110.16","0.03","90","","1396","0.6","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua-[2-ethylphenylamino-N,N-diacetato-N,O,O']zinc(II)","","- C12 H17 N O6 Zn -","- C12 H17 N O6 Zn -","- C48 H68 N4 O24 Zn4 -","4","1","DE1012","Hidalgo, M. A.; Suárez-Varela, J.; Avila-Rosón, J. C.; Martín-Ramos, J. D.; Romerosa, A.","Diaqua(2-ethylphenyliminodiacetato-<i>N</i>,<i>O</i>,<i>O</i>')zinc(II)","Acta Crystallographica Section C","1996","52","4","810","812","10.1107/S0108270195014132","","","0.71069","MoKα","","0.1939","0.0387","","0.1819","0.042","","","","","1.62","1.62","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004717","13.939","0.007","12.21","0.008","9.298","0.003","106.62","0.03","88.96","0.02","114.32","0.05","1372.8","1.4","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Ca N4 O18 -","- C20 H22 Ca N4 O18 -","- C40 H44 Ca2 N8 O36 -","2","1","DE1013","","Dimeric Aqua(3,5-dinitrobenzoato)(triethylene glycol)calcium(II) 3,5-Dinitrobenzoate Hydrate","Acta Crystallographica C","1996","52","","786","789","10.1107/S0108270195013187","","","0.71073","MoKα","","","0.065","","","0.058","","","","","1.174","1.174","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004718","5.964","0.003","27.04","0.02","11.376","0.006","90","","94.42","0.05","90","","1829.1","1.9","293","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C9 H23 Ag N2 O S4 W -","- C9 H23 Ag N2 O S4 W -","- C36 H92 Ag4 N8 O4 S16 W4 -","4","1","DE1020","Huang, Q.; Wu, X.; Wang, Q.; Sheng, T.","The Polymeric Cluster Complex {[(CH~3~CH~2~)~3~NH][WAgS~4~].(DMF)}~<i>n~</i>","Acta Crystallographica Section C","1996","52","4","795","797","10.1107/S0108270195013758","","","0.71069","MoKα","","","0.0448","","","0.0498","","","","","1.11","1.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004719","14.692","0.002","13.88","0.001","9.759","0.001","90","","90","","90","","1990.1","0.4","293","2","293","","","","","","","","","5","P m n 21","P 2ac -2","31","2:1 complex (N-cyclopentyl-4-phenylpyridinium bromide : 4-phenylpyridine)","","","- C43 H48 Br3 N3 O -","- C43 H47 Br3 N3 O -","- C86 H94 Br6 N6 O2 -","2","0.5","DU1122","Wouters, J.; Evrard, G.; Durant, F.; Kalgutkar, A.; Castagnoli, Jnr, N.","An MPP^+^ Analog: the 2:1 <i>N</i>-Cyclopentyl-4-phenylpyridinium Bromide‒4-Phenylpyridine Complex","Acta Crystallographica Section C","1996","52","4","1033","1036","10.1107/S010827019501362X","","","1.54178","CuKα","","0.0562","0.0447","","0.1119","0.0997","","","","1.085","1.104","1.104","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004720","9.199","0.001","5.731","0.003","28.812","0.006","90","","95.08","0.01","90","","1513","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Cyclohexylamino-2-phenyl-4-thiazolecarbonitrile","","- C16 H17 N3 S -","- C16 H17 N3 S -","- C64 H68 N12 S4 -","4","1","DU1133","Kammoun, M.; Hajjem, B.; Jouini, T.; Baccar, B.","5-Cyclohexylamino-2-phenyl-4-thiazolecarbonitrile","Acta Crystallographica Section C","1996","52","4","1006","1007","10.1107/S0108270195013709","","","0.71069","MoKα","","0.0551","0.0401","","0.0955","0.0897","","","","1.179","1.254","1.254","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004721","8.411","0.002","14.454","0.003","15.8","0.003","90","","91.32","0.03","90","","1920.3","0.7","119","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H37 Cl5 Fe3 O8 P4 Si2 -","- C20 H37 Cl5 Fe3 O8 P4 Si2 -","- C40 H74 Cl10 Fe6 O16 P8 Si4 -","2","1","FG1051","Simons, R. S.; Tessier, C. A.","[Fe~2~(CO)~4~(PMe~3~)~4~(μ-H)(μ-SiCl~2~)][Fe(CO)~4~(SiCl~3~)]","Acta Crystallographica Section C","1996","52","4","840","842","10.1107/S0108270195013825","","","0.71073","MoKα","","","0.0398","","","0.0432","","","","","1.03","1.03","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004722","25.497","0.002","9.208","0.002","18.012","0.002","90","","129.78","0.02","90","","3249.9","1.3","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 O2 Sb -","- C18 H17 O2 Sb -","- C144 H136 O16 Sb8 -","8","1","FG1062","Pankaj, S.; Rosas, N.; Espinosa-Pérez, G.; Cabrera, A.","Triphenylstibine Dihydroxide","Acta Crystallographica Section C","1996","52","4","889","891","10.1107/S0108270195013898","","","0.71073","MoKα","","","0.0591","","","0.0673","","","","","1.24","1.24","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2004723","7.365","0.002","9.102","0.003","11.165","0.003","77.52","0.03","73.47","0.02","71.27","0.03","673.1","0.4","293","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Mn N2 O10 -","- C24 H32 Mn N2 O10 -","- C24 H32 Mn N2 O10 -","1","0.5","FG1078","Haendler, H. M.","A Manganese Quinaldinate Complex: <i>trans</i>-[Diaquabis(2-quinolinecarboxylato)manganese(II)]–Water–Ethanol (1/2/2)","Acta Crystallographica Section C","1996","52","4","801","803","10.1107/S0108270195013904","","","0.71073","MoKα","","","0.045","","","0.065","","","","","1.54","1.54","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004724","25.109","0.002","18.557","0.004","18.436","0.007","90","","134.85","0.02","90","","6090","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-triaquocalcium-1,4,7,10-tetraazacyclododecane- N,N',N"",N'''-tetraaceto calcium hydrate","","- C16 H45.4 Ca2 N4 O18.7 -","- C16 H42.3 Ca2 N4 O18.65 -","- C128 H338.4 Ca16 N32 O149.2 -","8","1","FG1080","Anderson, O. P.; Reibenspies, J. H.","{Ca(OH~2~)~3~[Ca(DOTA)].7.7H~2~O}~<i>n~</i>","Acta Crystallographica Section C","1996","52","4","792","795","10.1107/S0108270195013916","","","0.71073","MoKα","","0.0976","0.0681","","0.2066","0.1999","","","","1.317","1.483","1.483","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004725","19.403","0.005","6.555","0.001","19.512","0.006","90","","97.38","0.02","90","","2461.1","1.1","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","triaquabis(O,O'-hydrogenoxalate) (O,O'-oxalate)(μ^3^-sulfide)tris(μ^2^-sulfide)trimolybdenum(IV)","","- C10 H20 Mo3 O17 S4 -","- C10 H4 Mo3 O17 S4 -","- C40 H16 Mo12 O68 S16 -","4","1","FG1088","Cotton, F. A.; Daniels, L. M.; Shang, M.; Llusar, R.; Schwotzer, W.","A Trinuclear Cluster of Molybdenum(IV), Mo~3~(μ~3~-S)(μ~2~-S)~3~(HC~2~O~4~)~2~(C~2~O~4~)(H~2~O)~3~","Acta Crystallographica Section C","1996","52","4","835","838","10.1107/S0108270195013928","","","0.71073","MoKα","","0.1637","0.0514","","0.1027","0.0931","","","","0.825","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004726","5.934","0.002","9.237","0.002","17.512","0.005","90","","90","","90","","959.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","JLG-244","2,4-dinitro-cis-1,5-dimethyl-2,4-diazabicyclo[3,2.0]heptan-3-one","","- C7 H10 N4 O5 -","- C7 H10 N4 O5 -","- C28 H40 N16 O20 -","4","1","FG1098","Deschamps, J. R.; George, C.; Gilardi, R. D.; Gagnon, J. L.; Zajac, Jnr, W. W.","<i>cis</i>-1,5-Dimethyl-2,4-dinitro-2,4-diazabicyclo[3.2.0]heptan-3-one and <i>cis</i>-1,5-Dimethyl-2,4-dinitro-2,4-diazabicyclo[3.1.0]hexan-3-one","Acta Crystallographica Section C","1996","52","4","993","995","10.1107/S010827019501393X","","","0.71073","MoKα","","0.0429","0.0333","","0.0904","0.0831","","","","1.071","1.079","1.079","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004727","7.306","0.001","10.83","0.002","11.525","0.002","90","","91.3","0.02","90","","911.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-dinitro-cis-1,5-dimethyl-2,4-diazabicyclo[3,1.0]hexan-3-one","","- C6 H8 N4 O5 -","- C6 H8 N4 O5 -","- C24 H32 N16 O20 -","4","1","FG1098","Deschamps, J. R.; George, C.; Gilardi, R. D.; Gagnon, J. L.; Zajac, Jnr, W. W.","<i>cis</i>-1,5-Dimethyl-2,4-dinitro-2,4-diazabicyclo[3.2.0]heptan-3-one and <i>cis</i>-1,5-Dimethyl-2,4-dinitro-2,4-diazabicyclo[3.1.0]hexan-3-one","Acta Crystallographica Section C","1996","52","4","993","995","10.1107/S010827019501393X","","","0.71073","MoKα","","0.1062","0.0547","","0.1526","0.1233","","","","1.032","1.107","1.107","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004728","13.746","0.001","14.137","0.002","19.039","0.003","90","","94.1","0.01","90","","3690.3","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Cd Cl N2 P S4 -","- C34 H40 Cd Cl N2 P S4 -","- C136 H160 Cd4 Cl4 N8 P4 S16 -","4","1","FG1103","Baggio, R.; Garland, M. T.; Perec, M.","The Five-Coordinate Cadmium Halide Bis(diethyldithiocarbamate) Complexes [PPh~4~][Cd(S~2~CNEt~2~)~2~Cl] and [PPh~4~][Cd(S~2~CNEt~2~)~2~Br]","Acta Crystallographica Section C","1996","52","4","823","826","10.1107/S0108270195013941","","","0.71073","MoKα","","0.0631","0.0358","","0.0804","0.0692","","","","1.036","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004729","13.858","0.002","14.159","0.003","19.25","0.003","90","","93.87","","90","","3768.5","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Br Cd N2 P S4 -","- C34 H40 Br Cd N2 P S4 -","- C136 H160 Br4 Cd4 N8 P4 S16 -","4","1","FG1103","Baggio, R.; Garland, M. T.; Perec, M.","The Five-Coordinate Cadmium Halide Bis(diethyldithiocarbamate) Complexes [PPh~4~][Cd(S~2~CNEt~2~)~2~Cl] and [PPh~4~][Cd(S~2~CNEt~2~)~2~Br]","Acta Crystallographica Section C","1996","52","4","823","826","10.1107/S0108270195013941","","","0.71073","MoKα","","0.0963","0.0567","","0.1508","0.1282","","","","1.072","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004730","15.442","0.003","14.865","0.004","30.383","0.007","90","","90","","90","","6974","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H32 Cu2 I2 N6 O2 -","- C32 H32 Cu2 I2 N6 O2 -","- C256 H256 Cu16 I16 N48 O16 -","8","1","FG1121","Bhaduri, S.; Rugmini, V.; Sapre, N. Y.; Jones, P. G.","Dimeric Iodo[1,1-di(2-pyridyl)-3-butenolato]copper(II) Bis(acetonitrile) Solvate, [Cu~2~(C~14~H~13~N~2~O)~2~I~2~].2CH~3~CN","Acta Crystallographica Section C","1996","52","4","804","806","10.1107/S0108270195013953","","","0.71073","MoKα","","0.0639","0.0344","","0.0973","0.0766","","","","1.072","1.016","1.016","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2004731","9.796","0.004","17.725","0.007","6.042","0.001","97.22","0.02","95.7","0.02","104.65","0.03","997.5","0.6","200","","200","","","","","","","","","5","P 1","P 1","1","","","","- C20 H23 Br N2 O4 -","- C20 H23 Br N2 O4 -","- C40 H46 Br2 N4 O8 -","2","2","FG1126","Parvez, M.; Rusiewicz, M.","Absolute Configuration of <small>D</small>-Brompheniramine Maleate","Acta Crystallographica Section C","1996","52","4","901","904","10.1107/S0108270195015125","","","0.71069","MoKα","","","0.035","","","0.039","","","","","1.262","1.262","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004732","25.016","0.006","5.881","0.008","11.299","0.008","90","","98.17","0.03","90","","1645","3","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-bis(2-sulfonatoethyl)-4,4'-bipyridinium monohydrate","","- C14 H18 N2 O7 S2 -","- C14 H18 N2 O7 S2 -","- C56 H72 N8 O28 S8 -","4","0.5","FG1127","Vermeulen, L. A.; Robinson, P. D.","A Photochromic Zwitterionic Viologen: 4,4'-Bipyridinium-1,1'-bis(2-ethylsulfonate) Monohydrate","Acta Crystallographica Section C","1996","52","4","984","986","10.1107/S0108270195013989","","","0.71069","MoKα","","","0.044","","","0.052","","","","","1.48","1.48","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004733","5.525","0.002","10.968","0.003","30.003","0.005","90","","91.01","0.03","90","","1817.8","0.9","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl2 N3 -","- C19 H21 Cl2 N3 -","- C76 H84 Cl8 N12 -","4","1","FG1128","Parvez, M.","Clemizole Hydrochloride","Acta Crystallographica Section C","1996","52","4","904","905","10.1107/S0108270195015113","","","0.71069","MoKα","","","0.0663","","","0.0647","","","","","2.967","2.967","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004734","11.721","0.001","13.156","0.001","14.278","0.001","90","","95.1","0.01","90","","2193","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 O4 P -","- C28 H21 O4 P -","- C112 H84 O16 P4 -","4","1","HA1100","Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.; Manohar, H.","8-(3-Methylphenoxy)-16<i>H</i>-dinaphtho[2,1-<i>d</i>;1',2'-<i>g</i>][1,3,2]dioxaphosphocine 8-oxide","Acta Crystallographica Section C","1996","52","4","1052","1054","10.1107/S0108270195013886","","","0.71069","MoKα","","","0.04","","","0.048","","","","","1.23","1.23","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004735","4.987","0.005","9.998","0.003","20.567","0.001","101.81","0.02","94.21","0.02","94.95","0.02","995.6","1","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N8 O8 -","- C17 H16 N8 O8 -","- C34 H32 N16 O16 -","2","1","HA1101","Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.; Sharma, R. P.","2,4-Pentanedione Bis(2,4-dinitrophenylhydrazone)","Acta Crystallographica Section C","1996","52","4","1054","1056","10.1107/S0108270195013874","","","0.71069","MoKα","","","0.06","","","0.066","","","","","1.36","1.36","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004736","20.417","0.004","7.711","0.002","16.719","0.003","90","","113.71","0.02","90","","2410","1","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 O4 -","- C11 H10 N4 O4 -","- C88 H80 N32 O32 -","8","2","HA1102","Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.; Sharma, R. P.","1-(2,4-Dinitrophenyl)-3,5-dimethylpyrazole","Acta Crystallographica Section C","1996","52","4","1056","1058","10.1107/S0108270195013862","","","0.71069","MoKα","","","0.055","","","0.061","","","","","1.9","1.9","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004737","22.516","0.005","6.937","0.001","17.469","0.004","90","","101.51","0.02","90","","2673.7","1","298","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H19 N O5.5 P -","- C10 H19 N O5.5 P -","- C80 H152 N8 O44 P8 -","8","1","HA1103","Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.","3-Hydroxy-6-methyl-2-pyridylmethyl Isopropylphosphonate Sesquihydrate","Acta Crystallographica Section C","1996","52","4","1058","1060","10.1107/S0108270195013850","","","1.5418","CuKα","","","0.056","","","0.068","","","","","1.87","1.87","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004738","4.863","0.002","10.804","0.001","20.139","0.005","90","","96.19","0.03","90","","1051.9","0.5","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-nitrophenyl)-4-piperidinol","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C44 H56 N8 O12 -","4","1","HA1146","Tomlin, D. W.; Bunning, T. J.; Price, G. E.; Fratini, A. V.; Adams, W. W.","1-(4-Nitrophenyl)-4-piperidinol","Acta Crystallographica Section C","1996","52","4","1000","1002","10.1107/S0108270195014545","","","0.71073","MoKα","","","0.064","","","0.041","","","","","1.376","1.376","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004739","7.565","0.001","12.046","0.001","13.701","0.001","90","","90","","90","","1248.5","0.2","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 Cl2 Pd S3 -","- C7 H14 Cl2 Pd S3 -","- C28 H56 Cl8 Pd4 S12 -","4","1","HL1041","Lee, G.-H.; Tzeng, B.-C.","Palladium Complexes of 1,4,7-Trithiacyclodecane","Acta Crystallographica Section C","1996","52","4","879","882","10.1107/S0108270193013769","","","0.71069","MoKα","","","0.026","","","0.026","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004740","18.117","0.001","11.608","0.001","13.611","0.001","90","","96.4","0.01","90","","2844.6","0.4","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H42 Cl2 O7 Pd S6 -","- C14 H44 Cl O6 Oc2 Pd S6 -","- C56 H176 Cl4 O24 Oc8 Pd4 S24 -","4","0.5","HL1041","Lee, G.-H.; Tzeng, B.-C.","Palladium Complexes of 1,4,7-Trithiacyclodecane","Acta Crystallographica Section C","1996","52","4","879","882","10.1107/S0108270193013769","","","0.71069","MoKα","","","0.035","","","0.042","","","","","2.66","2.66","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004741","9.395","0.007","14.373","0.008","14.53","0.005","89.11","0.04","88.27","0.04","86.79","0.04","1957.9","1.9","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N4 S Se2 -","- C19 H18 N4 S Se2 -","- C76 H72 N16 S4 Se8 -","4","2","HR1038","Billing, D. G.; Boeyens, J. C. A.; Cook, L. M.; Lai, L.-L.; Reid, D. H.","5,6,7,8-Tetrahydro-2,3-diphenyl-2aλ^4^-thia-2,3,4a,8a-tetraazacyclopent[<i>cd</i>]azulene-1[2<i>H</i>],4[3<i>H</i>]-diselone","Acta Crystallographica Section C","1996","52","4","970","973","10.1107/S0108270195012637","","","0.71073","MoKα","","","0.0791","","","0.1052","","","","","1.07","1.07","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004742","7.573","0.002","21.152","0.005","11.756","0.002","90","","90","","90","","1883.1","0.7","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C10 H7 N O4 -","- C10 H7 N O4 -","- C80 H56 N8 O32 -","8","1","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71069","Mo","","","0.066","","","0.066","","","","","1.949","1.949","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004743","7.079","0.004","8.949","0.005","15.893","0.007","90","","98.84","0.04","90","","994.9","0.9","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C44 H36 N4 O16 -","4","1","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71069","Mo","","","0.046","","","0.046","","","","","0.756","0.756","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004744","7.336","0.006","10.95","0.003","14.693","0.005","100.79","0.03","104.5","0.05","83.53","0.06","1119.8","1.1","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O4 -","- C12 H10 N O4 -","- C48 H40 N4 O16 -","4","2","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71069","Mo","","","0.064","","","0.064","","","","","1.115","1.115","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2004745","6.574","0.004","4.899","0.002","37.413","0.013","90","","95.18","0.03","90","","1200","1","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O4 -","- C13 H12 N O4 -","- C52 H48 N4 O16 -","4","1","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71069","Mo","","","0.072","","","0.072","","","","","1.595","1.595","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2004746","21.055","0.008","4.662","0.001","28.067","0.009","90","","105.22","0.03","90","","2658.4","1.5","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C14 H15 N O4 -","- C14 H14 N O4 -","- C112 H112 N8 O32 -","8","2","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71073","Mo","","","0.08","","","0.08","","","","","1.835","1.835","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004747","5.054","0.001","14.747","0.005","12.568","0.003","90","","92.88","0.02","90","","935.5","0.4","295","","","","","","","","","","","4","C 1 c 1","C -2yc","","","","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","HU1075","Feeder, N.; Jones, W.","Structures of Four <i>p</i>-Amidoperbenzoic Acids","Acta Crystallographica Section C","1996","52","4","919","923","10.1107/S0108270195016271","","","0.71069","MoKα","","","0.056","","","0.056","","","","","1.184","1.184","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004748","4.8853","0.001","15.68","0.004","12.793","0.003","90","","92.21","0.02","90","","979.2","0.4","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","p-propanamidoperbenzoic","p-propanamidoperbenzoic acid","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","HU1075","Feeder, N.; Jones, W.","Structures of Four <i>p</i>-Amidoperbenzoic Acids","Acta Crystallographica Section C","1996","52","4","919","923","10.1107/S0108270195016271","","","0.71069","MoKα","","0.0855","0.0412","","0.1339","0.118","","","","0.827","0.977","0.977","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004749","10.75","0.003","14.477","0.006","6.875","0.003","90","","90","","90","","1069.9","0.7","295","","","","","","","","","","","4","P b c m","-P 2c 2b","","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","0.5","HU1075","Feeder, N.; Jones, W.","Structures of Four <i>p</i>-Amidoperbenzoic Acids","Acta Crystallographica Section C","1996","52","4","919","923","10.1107/S0108270195016271","","","0.71069","MoKα","","","0.054","","","0.054","","","","","0.88","0.88","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004750","10.729","0.005","14.026","0.007","8.654","0.003","90","","111.59","0.03","90","","1210.9","1","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","HU1075","Feeder, N.; Jones, W.","Structures of Four <i>p</i>-Amidoperbenzoic Acids","Acta Crystallographica Section C","1996","52","4","919","923","10.1107/S0108270195016271","","","0.71069","MoKα","","","0.068","","","0.068","","","","","1.286","1.286","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004751","9.558","0.002","20.676","0.004","9.591","0.002","90","","90","","90","","1895.4","0.7","130","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Bis(tert-butyl acetoacetato)aquocopper(II)","","- C16 H28 Cu O7 -","- C16 H28 Cu O7 -","- C64 H112 Cu4 O28 -","4","0.5","HU1134","Patnaik, S.; Guru Row, T. N.; Raghunathan, L.; Devi, A.; Goswami, J.; Shivashankar, S. A.; Chandrasekaran, S.; Robinson, W. T.","Low-Temperature Structure of Two Copper-Based Precursors for MOCVD: Aquabis(<i>tert</i>-butyl acetoacetato)copper(II) and Bis(dipivaloylmethanido)copper(II)","Acta Crystallographica Section C","1996","52","4","891","894","10.1107/S0108270195012157","","","0.71073","MoKα","","0.0616","0.0386","","0.1086","0.0924","","","","1.015","0.985","0.985","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004752","10.175","0.002","10.939","0.002","11.469","0.002","90","","112.06","0.03","90","","1183.1","0.5","130","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(dipivaloylmethanido)copper(II) ?","","- C22 H38 Cu O4 -","- C22 H38 Cu O4 -","- C44 H76 Cu2 O8 -","2","0.5","HU1134","Patnaik, S.; Guru Row, T. N.; Raghunathan, L.; Devi, A.; Goswami, J.; Shivashankar, S. A.; Chandrasekaran, S.; Robinson, W. T.","Low-Temperature Structure of Two Copper-Based Precursors for MOCVD: Aquabis(<i>tert</i>-butyl acetoacetato)copper(II) and Bis(dipivaloylmethanido)copper(II)","Acta Crystallographica Section C","1996","52","4","891","894","10.1107/S0108270195012157","","","0.71073","MoKα","","0.0778","0.0462","","0.1455","0.1182","","","","0.811","0.787","0.787","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004753","7.502","0.005","8.32","0.006","11.809","0.006","87","0.05","89.76","0.05","69.65","0.06","690","0.8","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","fac-trichloro(tetrahydrofuran)(d,l-tetrahydrofurfuranol)titanium(III)","","- C9 H18 Cl3 O3 Ti -","- C9 H18 Cl3 O3 Ti -","- C18 H36 Cl6 O6 Ti2 -","2","1","JZ1073","Olejnik, Z.; Lis, T.; Utko, J.; Sobota, P.","Low-Temperature Structures of <i>fac</i>-Trichloro(tetrahydrofuran)(<small>D</small>, <small>L</small>-tetrahydrofurfuranol)titanium(III) and <i>fac</i>-Trichloro(tetrahydrofuran)(<small>D</small>, <small>L</small>-tetrahydrofurfuroxide)titanium(IV)","Acta Crystallographica Section C","1996","52","4","847","850","10.1107/S0108270195013485","","","0.71069","MoKα","","","0.0267","","","0.0689","","","","","1.091","1.091","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004754","9.074","0.008","12.553","0.009","15.65","0.02","90","","131.06","0.12","90","","1344","3","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","fac-trichloro(tetrahydrofuran)(d,l-tetrahydrofurfuroxide)titanium(IV)","","- C9 H17 Cl3 O3 Ti -","- C9 H17 Cl3 O3 Ti -","- C36 H68 Cl12 O12 Ti4 -","4","1","JZ1073","Olejnik, Z.; Lis, T.; Utko, J.; Sobota, P.","Low-Temperature Structures of <i>fac</i>-Trichloro(tetrahydrofuran)(<small>D</small>, <small>L</small>-tetrahydrofurfuranol)titanium(III) and <i>fac</i>-Trichloro(tetrahydrofuran)(<small>D</small>, <small>L</small>-tetrahydrofurfuroxide)titanium(IV)","Acta Crystallographica Section C","1996","52","4","847","850","10.1107/S0108270195013485","","","0.71069","MoKα","","","0.0233","","","0.0629","","","","","1.107","1.107","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004755","7.89","0.001","11.752","0.001","17.028","0.001","90","","90","","90","","1578.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-tert-Butyloxycarbonyl-6(S)-hydroxymethyl-3(S)-methylethyl- piperazin-2-one","","- C13 H24 N2 O4 -","- C13 H24 N2 O4 -","- C52 H96 N8 O16 -","4","1","JZ1074","Kolter, T.; Rübsam, F.; Giannis, A.; Nieger, M.","4-<i>tert</i>-Butyloxycarbonyl-6(<i>S</i>)-(hydroxymethyl)-3(<i>S</i>)-(1-methylethyl)piperazin-2-one","Acta Crystallographica Section C","1996","52","4","978","980","10.1107/S0108270195013278","","","1.54178","CuKα","","0.0921","0.0674","","0.2097","0.1845","","","","1.042","1.061","1.061","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004756","10.545","0.002","12.924","0.002","14.856","0.002","90.6","0.01","100.06","0.01","99.47","0.01","1964.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Cis-Diaquabis(1,10-phenanthroline-N,N')Zinc(II) Di(thiosulfate-S-)(1,10-phenanthroline-N,N'-)Zincate(II) Hydrate","","- C36 H30 N6 O9 S4 Zn2 -","- C36 H30 N6 O8.997 S3.998 Zn2 -","- C72 H60 N12 O17.994 S7.996 Zn4 -","2","1","JZ1082","Baggio, R.; Baggio, S.; Pardo, M. I.; Garland, M. T.","<i>cis</i>-Diaquabis(1,10-phenanthroline-<i>N</i>,<i>N</i>')zinc(II) (1,10-Phenanthroline-<i>N</i>,<i>N</i>')bis(thiosulfato-<i>S</i>)zincate(II) Monohydrate","Acta Crystallographica Section C","1996","52","4","820","823","10.1107/S010827019501359X","","","0.71073","MoKα","","0.0658","0.0458","","0.1333","0.1183","","","","0.986","1.012","1.012","","","","","has coordinates,has disorder","199684","2020-10-21","18:00:00",""
"2004757","8.694","0.001","11.344","0.002","11.636","0.003","74.29","0.02","87.43","0.02","70.66","0.02","1041.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Nonasodium Bis(hexahydroxoaluminate) Trihydroxide Hexahydrate","","- Al2 H27 Na9 O21 -","- Al2 H27 Na9 O21 -","- Al4 H54 Na18 O42 -","2","1","JZ1084","Zabel, V.; Schneider, M.; Weinberger, M.; Gessner, W.","Nonasodium Bis(hexahydroxoaluminate) Trihydroxide Hexahydrate","Acta Crystallographica Section C","1996","52","4","747","749","10.1107/S0108270195015277","","","0.71073","MoKα","","0.0587","0.032","","0.0823","0.0728","","","","1.052","1.135","1.135","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004758","21.316","0.011","12.296","0.007","20.686","0.008","90","","109.98","0.06","90","","5096","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cs8 F10 Fe15 O48 P12 -","- Cs8 F10 Fe15 O48 P12 -","- Cs32 F40 Fe60 O192 P48 -","4","0.5","JZ1087","Frenzen, G.; Yakubovich, O. V.; Mel'nikov, O. K.","A New Synthetic Fluoride Phosphate of Mixed-Valence Iron: Cs~8~Fe~8~^3+^Fe~7~^2+^F~10~(PO~4~)~12~","Acta Crystallographica Section C","1996","52","4","749","753","10.1107/S0108270195015472","","","0.71073","MoKα","","0.0472","0.0357","","0.0899","0.0847","","","","1.077","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004759","12.007","0.003","18.708","0.005","31.213","0.01","90","","90","","90","","7011","3","293","2","293","2","","","","","","","","7","I b c a","-I 2b 2c","73","","tris(4,4'-bipyrimidine)ruthenium(II) dihexafluorophosphate monoacetone","","- C27 H24 F12 N12 O P2 Ru -","- C27 H24 F12 N12 O P2 Ru -","- C216 H192 F96 N96 O8 P16 Ru8 -","8","0.5","JZ1090","Breu, J.; Belser, P.; Yersin, H.","Tris(4,4'-bipyrimidine)ruthenium(II) Bis(hexafluorophosphate) Acetone Solvate","Acta Crystallographica Section C","1996","52","4","858","861","10.1107/S0108270195014156","","","0.71069","MoKα","","0.0497","0.0387","","0.118","0.1109","","","","0.981","1.056","1.056","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004760","12.6439","0.0015","13.677","0.002","17.107","0.003","67.357","0.01","85.069","0.012","86.429","0.01","2718.8","0.7","208","2","208","2","","","","","","","","6","P -1","-P 1","2","Bis(triphenylphosphine)iminiumnitrito(phthalocyaninato)zincate Hydrate","","","- C68 H48 N10 O3 P2 Zn -","- C68 H48 N10 O3 P2 Zn -","- C136 H96 N20 O6 P4 Zn2 -","2","1","JZ1091","Assmann, B.; Sievertsen, S.; Homborg, H.","Bis(triphenylphosphine)iminium Nitrito(phthalocyaninato)zincate Hydrate","Acta Crystallographica Section C","1996","52","4","876","879","10.1107/S0108270195014351","","","0.71069","MoKα","","0.0412","0.0295","","0.0776","0.0726","","","","1.04","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004761","14.063","0.003","5.267","0.0005","18.941","0.003","90","","98.387","0.014","90","","1388","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6,6'-Diphenyl-3,3'-bis-1,2,4,5-tetrazine","","- C16 H10 N8 -","- C16 H10 N8 -","- C64 H40 N32 -","4","1","JZ1094","Breu, J.; Range, K.-J.; Biedermann, N.; Schmid, K.; Sauer, J.","Arene–Arene Stacking in 6,6'-Diphenyl-3,3'-bi-1,2,4,5-tetrazine and 6-Phenyl-1,2,4,5-tetrazine-3-carbaldehyde Benzoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","4","936","940","10.1107/S0108270195015216","","","0.71069","MoKα","","0.1055","0.0378","","0.0886","0.0724","","","","0.745","0.968","0.968","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004762","6.53","0.0003","8.6338","0.0006","27.7016","0.0009","90","","96.052","0.003","90","","1553.08","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Phenyl-1,2,4,5-tetrazine-3-carbaldehyde-benzoylhydrazone monohydrate","","- C16 H14 N6 O2 -","- C16 H14 N6 O2 -","- C64 H56 N24 O8 -","4","1","JZ1094","Breu, J.; Range, K.-J.; Biedermann, N.; Schmid, K.; Sauer, J.","Arene–Arene Stacking in 6,6'-Diphenyl-3,3'-bi-1,2,4,5-tetrazine and 6-Phenyl-1,2,4,5-tetrazine-3-carbaldehyde Benzoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","4","936","940","10.1107/S0108270195015216","","","1.5418","CuKα","","0.1345","0.0428","","0.1186","0.0994","","","","0.808","1.005","1.005","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004763","9.236","0.002","11.236","0.002","9.283","0.002","90","","90.44","0.02","90","","963.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","Quecksilberdiiodid.(18-Krone-6)","1,4,7,10,13,16-Hexaoxacyclooctadecan-Quecksilberdiiodid","","- C12 H24 Hg I2 O6 -","- C12 H24 Hg I2 O6 -","- C24 H48 Hg2 I4 O12 -","2","0.25","JZ1095","El Essawi, M.; Abd El Khalik, S.; Tebbe, K.-F.","Verfeinerung von Quecksilberdiiodid-(18-Krone-6), Hg(18-krone-6)I~2~","Acta Crystallographica Section C","1996","52","4","818","820","10.1107/S0108270195014697","","","0.71069","MoKα","","0.0203","0.0175","","0.0394","0.0388","","","","1.068","1.106","1.106","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004764","10.5458","0.0009","12.4347","0.001","12.5963","0.0012","65.749","0.009","85.167","0.008","68.828","0.007","1400.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetraphenylphosphonium trans-Tetrabromoaquacarbonylosmate(III)","","- C25 H22 Br4 O2 Os P -","- C25 H22 Br4 O2 Os P -","- C50 H44 Br8 O4 Os2 P2 -","2","1","JZ1098","Höhling, M.; Preetz, W.","Tetraphenylphosphonium <i>trans</i>-Aquatetrabromo(carbonyl)osmate(III), <i>trans</i>-[(C~6~H~5~)~4~P][OsBr~4~(CO)(H~2~O)]","Acta Crystallographica Section C","1996","52","4","863","865","10.1107/S0108270195014259","","","0.71069","MoKα","","0.0683","0.0298","","0.0725","0.0556","","","","1.162","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004765","16.897","0.002","4.9442","0.0005","12.295","0.001","90","","103.418","0.009","90","","999.11","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cobalt Silicon Diphosphate","","- Co2 O14 P4 Si -","- Co2 O14 P4 Si -","- Co8 O56 P16 Si4 -","4","0.5","JZ1108","Glaum, R.; Schmidt, A.","Cobalt Silicon Diphosphate, Co~2~Si(P~2~O~7~)~2~","Acta Crystallographica Section C","1996","52","4","762","764","10.1107/S0108270195016982","","","0.71069","MoKα","","0.0398","0.02","","0.0505","0.046","","","","1.047","1.096","1.096","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004766","5.938","0.001","10.206","0.002","16.447","0.004","90","","90","","90","","996.7","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","KA1134","Flasche, M.; Raabe, G.","Two Diastereomers of Benzylidene-<small>D</small>-erythronolactone","Acta Crystallographica Section C","1996","52","4","895","899","10.1107/S0108270195012443","","","1.54179","CuKα","","","0.036","","","0.036","","","","","5.15","5.15","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004767","5.7","0.0007","10.7002","0.0009","16.142","0.001","90","","90","","90","","984.52","0.16","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","KA1134","Flasche, M.; Raabe, G.","Two Diastereomers of Benzylidene-<small>D</small>-erythronolactone","Acta Crystallographica Section C","1996","52","4","895","899","10.1107/S0108270195012443","","","1.54179","CuKα","","","0.035","","","0.03","","","","","3.877","3.877","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004768","6.097","0.007","6.804","0.005","16.92","0.02","90","","97.66","0.06","90","","695.6","1.3","295","3","295","3","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3R) 3-Amino-1-(1'-methyloxycarbonyl-2-methyl-prop-1'-enyl)-4-oxoazetidine-2- sulfonic Acid Monohydrate","","- C9 H16 N2 O7 S -","- C9 H16 N2 O7 S -","- C18 H32 N4 O14 S2 -","2","1","KA1146","Mandic, Z.; Kiralj, R.; Kojic-Prodic, B.; Kovacevic, M.","(2<i>R</i>,3<i>R</i>)-3-Ammonio-1-(1-methoxycarbonyl-2-methyl-1-propenyl)-4-oxoazetidine-2-sulfonate Monohydrate: a New Chiral β-Lactam Synthon","Acta Crystallographica Section C","1996","52","4","988","991","10.1107/S0108270195014077","","","0.71073","MoKα","","","0.0408","","","0.0431","","","","","0.46","0.46","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004769","18.847","0.003","13.715","0.002","17.543","0.003","90","","95.93","0.04","90","","4510.4","1.3","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Iodo-tris(triphenylphosphine)silver(I)","","- C54 H45 Ag I P3 -","- C54 H45 Ag I P3 -","- C216 H180 Ag4 I4 P12 -","4","1","KA1149","Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.; Beckett, M. A.; Jones, P. W.","Iodotris(triphenylphosphine)silver(I), [Ag(PPh~3~)~3~I]","Acta Crystallographica Section C","1996","52","4","884","887","10.1107/S0108270195015228","","","0.71069","MoKα","","0.0558","0.0489","","0.1177","0.116","","","","1.011","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004770","10.433","0.002","33.313","0.001","9","0.004","90","","90","","90","","3128","1.5","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-O-p-bromobenzoyl-salvileucolide-methylester","","","- C33 H43 Br O7 -","- C33 H43 Br O7 -","- C132 H172 Br4 O28 -","4","1","KA1151","Linden, A.; Juch, M.; Rüedi, P.","Absolute Configuration of 6-<i>O</i>-<i>p</i>-Bromobenzoylsalvileucolide Methyl Ester","Acta Crystallographica Section C","1996","52","4","933","935","10.1107/S0108270195014089","","","0.71069","MoKα","","0.1563","0.0511","","0.0433","0.036","","","","","1.458","1.458","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004771","16.013","0.006","11.86","0.006","9.643","0.002","90","","98.5","0.02","90","","1811.2","1.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,2'-[(1,2-cyclohexanediyl)bis(nitrilomethylidyne)]bisphenol","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","KA1152","Cannadine, J. C.; Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 1,2-Diaminocyclohexane","Acta Crystallographica Section C","1996","52","4","1014","1017","10.1107/S0108270195014090","","","0.71073","MoKα","","0.0484","0.0436","","0.1219","0.1071","","","","1.022","1.064","1.064","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004772","11.832","0.009","13.797","0.005","12.954","0.007","90","","112.51","0.04","90","","1954","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[(1,2-cyclohexanediyl)bis(nitriloethylidyne)]bisphenol","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","KA1152","Cannadine, J. C.; Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 1,2-Diaminocyclohexane","Acta Crystallographica Section C","1996","52","4","1014","1017","10.1107/S0108270195014090","","","0.71073","MoKα","","0.1343","0.0451","","0.286","0.0896","","","","0.688","1.054","1.054","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004773","7","0.004","30.605","0.005","7.151","0.003","90","","110.32","0.04","90","","1436.7","1.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","KA1158","Böcskei, Z.; Simon, K.; Varga, M.; Hermecz, I.","Ipriflavone, an Antiostheophorotic Agent","Acta Crystallographica Section C","1996","52","4","1022","1024","10.1107/S0108270195015241","","","1.5418","CuKα","","0.1986","0.0741","","0.3279","0.2047","","","","1.033","1.101","1.101","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:26",""
"2004774","17.0989","0.0022","10.4699","0.0018","17.7115","0.0024","90","","109.721","0.008","90","","2984.8","0.8","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl2 N4 O2 Sn2 -","- C32 H34 Cl N2 O Sn -","- C128 H136 Cl4 N8 O4 Sn4 -","4","1","KA1159","Hazell, A.; Hu, H.; Khoo, L. E.","Chloro{2-[2-(dimethylamino)ethyliminomethyl]phenol}triphenyltin(IV) Benzene Hemisolvate, [SnCl(C~6~H~5~)~3~(C~11~H~16~N~2~O)].0.5C~6~H~6~","Acta Crystallographica Section C","1996","52","4","873","876","10.1107/S0108270195014107","","","0.71073","MoKα","","","0.033","","","0.042","","","","","0.968","0.968","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004775","8.678","0.003","16.152","0.002","8.421","0.001","90","","112.75","0.01","90","","1088.5","0.4","300","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 Cl2 Cu N4 O8 -","- C14 H32 Cl2 Cu N4 O8 -","- C28 H64 Cl4 Cu2 N8 O16 -","2","0.5","KH1042","Wang, A.; Lee, T.-J.; Chi, T.-Y.; Liao, F.-L.; Liu, G.-S.; Chung, C.-S.","Diperchlorato[(1<i>RS</i>,4<i>RS</i>,5<i>SR</i>,7<i>RS</i>,8<i>SR</i>,11<i>SR</i>,12<i>RS</i>,14<i>SR</i>)-(5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane)]copper(II)","Acta Crystallographica Section C","1996","52","4","806","807","10.1107/S0108270195012704","","","0.71073","MoKα","","","0.0492","","","0.051","","","","","1.01","1.01","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004776","27.395","0.008","10.804","0.003","19.201","0.003","90","","126.54","0.02","90","","4566","2","296","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 Cu4 N6 S10 -","- C36 H42 Cu4 N6 S10 -","- C144 H168 Cu16 N24 S40 -","4","0.5","KH1046","Li, H.; Sheng, T.; Huang, Q.; Wu, X.","Tetrakis(3-methylpyridine)-1κ<i>N</i>,2κ<i>N</i>,3κ<i>N</i>,4κ<i>N</i>-bis(μ~4~-pentathio)-1:2κ^2^<i>S</i>^1^,2κ<i>S</i>^4^,3κ<i>S</i>^2^,3:4κ^2^<i>S</i>^5^;1κ<i>S</i>^4'^,1:3κ^2^<i>S</i>^1'^,2:4κ^2^<i>S</i>^5'^,4κ<i>S</i>^2'^-tetracopper(I) Bis(3-methylpyridine) Solvate","Acta Crystallographica Section C","1996","52","4","887","889","10.1107/S0108270195011462","","","0.71073","MoKα","","","0.049","","","0.068","","","","","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004777","20.738","0.007","9.791","0.003","30.251","0.01","90","","90","","90","","6142","3","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-butyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]- 5-phenyl-6-dimethoxymethyl-1H-imidazopyridine","","- C33 H33 N7 O2 -","- C33 H33 N7 O2 -","- C264 H264 N56 O16 -","8","1","KH1056","Shin, W.; Yoon, T.-S.; Yoo, S. E.","A Non-Peptide Angiotensin II Receptor Antagonist: 2-Butyl-6-dimethoxymethyl-5-phenyl-1-{[2'-(1<i>H</i>-tetrazol-5-yl)biphenyl-4-yl]methyl}-1<i>H</i>-imidazo[5,4-<i>b</i>]pyridine","Acta Crystallographica Section C","1996","52","4","1019","1022","10.1107/S0108270195011978","","","1.5418","CuKα","","0.2565","0.1066","","0.3363","0.2575","","","","1.327","1.824","1.824","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004778","8.943","0.001","9.222","0.002","17.184","0.002","90","","90.53","0.01","90","","1417.1","0.4","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-Diammine-bis(pyrazole)platinum(II) nitrate","","- C6 H14 N8 O6 Pt -","- C6 H14 N8 O6 Pt -","- C24 H56 N32 O24 Pt4 -","4","1","KH1060","Sakai, K.; Ishikura, A.; Tsubomura, T.; Matsumoto, K.","Two Different Crystal Forms of <i>cis</i>-diamminebis(pyrazole)platinum(II) Nitrate","Acta Crystallographica Section C","1996","52","4","779","783","10.1107/S0108270195013461","","","0.71069","MoKα","","","0.0391","","","0.0377","","","","","3.18","3.18","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004779","10.049","0.002","7.531","0.003","12.298","0.001","90","","98.89","0.01","90","","919.5","0.4","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","cis-Diammine-bis(pyrazole)platinum(II) nitrate pyrazole","","- C9 H18 N10 O6 Pt -","- C9 H18 N10 O6 Pt -","- C18 H36 N20 O12 Pt2 -","2","1","KH1060","Sakai, K.; Ishikura, A.; Tsubomura, T.; Matsumoto, K.","Two Different Crystal Forms of <i>cis</i>-diamminebis(pyrazole)platinum(II) Nitrate","Acta Crystallographica Section C","1996","52","4","779","783","10.1107/S0108270195013461","","","0.71069","MoKα","","","0.0383","","","0.0248","","","","","1.2","1.2","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004780","7.428","0.002","18.238","0.002","12.4692","0.0014","90","","90.743","0.016","90","","1689.1","0.5","298","3","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 N4 O3 Tc -","- C14 H25 N4 O3 Tc -","- C56 H100 N16 O12 Tc4 -","4","1","KH1061","Tsai, C.-S.; Lu, T.-H.; Duh, J.-Y.; Yeh, S.-J.","(<i>meso</i>-4,8-Diaza-3,9-dimethyl-6,6-trimethyleneundecane-2,10-dione dioximato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')oxotechnetium(V), [TcO(C~14~H~25~N~4~O~2~)]","Acta Crystallographica Section C","1996","52","4","838","840","10.1107/S0108270195014181","","","0.71073","MoKα","","","0.032","","","0.051","","","","","2.02","2.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004781","12.12","0.003","18.425","0.003","7.11","0.006","90","","90","","90","","1587.7","1.4","296","","296","","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","Di-μ-pyrazolato-bis[(2,2'-bipyridine)platinum(II)] tetrafluoroborate monohydrate","","- C26 H24 B2 F8 N8 O Pt2 -","- C25 H21 B F6 N8 O0.25 Pt -","- C50 H42 B2 F12 N16 O0.5 Pt2 -","2","0.25","KH1064","Sakai, K.; Sato, T.; Tsubomura, T.; Matsumoto, K.","Di-(μ-pyrazolato-<i>N</i>:<i>N</i>')-bis[(2,2'-bipyridine-<i>N</i>,<i>N</i>')platinum(II)] Bis(tetrafluoroborate) Monohydrate","Acta Crystallographica Section C","1996","52","4","783","786","10.1107/S0108270195014326","","","0.71069","MoKα","","","0.0577","","","0.0334","","","","","1.84","1.84","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004782","11.494","0.001","6.263","0.001","12.479","0.001","90","","111.01","0.01","90","","838.6","0.18","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","1","MU1207","Vencato, I.; Neves, A.; Ceccato, A. S.; Horn, Jnr, A.","<i>N</i>,<i>N</i>-Bis(2-hydroxybenzyl)-<i>N</i>-(2-pyridylmethyl)amine, H~2~BBPA","Acta Crystallographica Section C","1996","52","4","949","951","10.1107/S0108270195014739","","","0.71073","MoKα","","0.129","0.073","","","0.074","","","","","0.99","0.99","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004783","12.67","0.01","15.73","0.01","17.471","0.009","90","","102.76","0.05","90","","3396","4","150","","423.2","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H44 Cl2 O2 P4 Pt -","- C31 H44 Cl2 O2 P4 Pt -","- C124 H176 Cl8 O8 P16 Pt4 -","4","1","MU1219","Chiffey, A. F.; Evans, J.; Levason, W.; Reid, G.","[Pt(PMe~3~)~2~(dppm)]Cl~2~.2H~2~O [dppm = Bis(diphenylphosphino)methane]","Acta Crystallographica Section C","1996","52","4","799","801","10.1107/S0108270195014570","","","0.71073","MoKα","","0.097","0.071","","0.083","0.08","","","","4.07","4.28","4.28","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004784","6.992","0.003","13.356","0.005","9.521","0.003","90","","104.05","0.03","90","","862.5","0.6","150","","423.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Mo O10 P2 -","- C10 H18 Mo O10 P2 -","- C20 H36 Mo2 O20 P4 -","2","0.5","MU1224","Champness, N. R.; Hopkins, A. M.; Reid, G.","<i>trans</i>-[Mo(CO)~4~{P(OMe)~3~}~2~]","Acta Crystallographica Section C","1996","52","4","797","799","10.1107/S010827019501479X","","","0.71073","MoKα","","0.0314","0.029","","0.0365","0.0363","","","","2.87","3.083","3.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004785","10.224","0.001","21.514","0.002","10.23","0.001","90","","90","","90","","2250.2","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dimethylbis(O-cyclohexyldithiocarbonato)tin(IV).","","- C16 H28 O2 S4 Sn -","- C16 H28 O2 S4 Sn -","- C64 H112 O8 S16 Sn4 -","4","0.5","MU1227","Mohamed-Ibrahim, M. I.; Khor, C.-K.; Fun, H.-K.; Sivakumar, K.","Bis(<i>O</i>-cyclohexyl dithiocarbonato)dimethyltin(IV)","Acta Crystallographica Section C","1996","52","4","845","846","10.1107/S0108270195015009","","","0.71073","MoKα","","0.0749","0.0668","","0.1605","0.1577","","","","1.157","1.245","1.245","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004786","14.04","0.001","10.222","0.001","25.699","0.003","90","","93.63","0.01","90","","3680.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pyrrolidinedithiocarbamatobis(triphenylphosphine)silver(I).","","- C41 H38 Ag N P2 S2 -","- C41 H38 Ag N P2 S2 -","- C164 H152 Ag4 N4 P8 S8 -","4","1","MU1228","Othman, A. H.; Fun, H.-K.; Sivakumar, K.","(<i>N</i>-Pyrrolidinecarbodithioato-<i>S</i>,<i>S</i>')bis(triphenylphosphine)silver(I)","Acta Crystallographica Section C","1996","52","4","843","845","10.1107/S0108270195014806","","","0.71073","MoKα","","0.0589","0.041","","0.1763","0.1111","","","","1.032","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004787","7.162","0.001","20.033","0.002","10.611","0.001","90","","107.21","0.01","90","","1454.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","p-Methoxybenzaldehyde Nictonylhydrazone Dihydrate.","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C56 H68 N12 O16 -","4","1","MU1230","Fun, H.-K.; Sivakumar, K.; Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.","<i>p</i>-Methoxybenzaldehyde Nicotinoylhydrazone Dihydrate","Acta Crystallographica Section C","1996","52","4","986","988","10.1107/S010827019501540X","","","0.71073","MoKα","","0.0603","0.0466","","0.1426","0.1345","","","","1.063","1.181","1.181","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004788","6.11","0.001","14.106","0.001","16.609","0.0009","90","","90","","90","","1431.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-phenyl-4,5-dimethoxy-2,7,8,9-tetrahydroisoquinolinium","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","NA1134","","X-ray Structure Investigations of Potential β-Blockers. II. 6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica C","1996","52","","1038","1040","10.1107/S0108270195013606","","","1.54178","CuKα","","0.0603","0.0429","","0.1221","0.1055","","","","1.276","1.275","1.275","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004789","13.718","0.001","7.4307","0.0003","18.4638","0.0009","90","","91.524","0.005","90","","1881.43","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloro-bis(nicotinamide-N^1^-acetato)zinc(II)","","- C16 H16 Cl2 N4 O6 Zn -","- C16 H16 Cl2 N4 O6 Zn -","- C64 H64 Cl8 N16 O24 Zn4 -","4","0.5","NA1184","Zelenák, V.; Györyová, K.; Císarová, I.; Loub, J.","Dichlorobis(nicotinamide-<i>N</i>^1^-acetate-<i>O</i>)zinc(II)","Acta Crystallographica Section C","1996","52","4","808","810","10.1107/S0108270195015186","","","0.71073","MoKα","","0.0275","0.0234","","0.0617","0.0599","","","","1.061","1.081","1.081","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2004790","6.595","0.002","9.964","0.002","17.821","0.002","90","","94.76","0.02","90","","1167","0.4","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N2 O4 Sn2 -","- C18 H24 N2 O4 Sn2 -","- C36 H48 N4 O8 Sn4 -","2","0.5","NA1192","Stocco, G.; Guli, G.; Girasolo, M. A.; Bruno, G.; Nicolò, F.; Scopelliti, R.","Poly[<i>trans</i>-bis{trimethyltin(IV)}-μ-(2,2'-bipyridyl-4,4'-dicarboxylato-<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')]. A Layered Structure Composed of Sheets Interconnected by Organometallic Moieties","Acta Crystallographica Section C","1996","52","4","829","832","10.1107/S0108270195013400","","","0.71073","MoKα","","","0.0219","","","0.0295","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004791","7.569","0.001","11.557","0.002","12.158","0.003","61.84","0.01","88.74","0.02","84.59","0.01","933.2","0.3","293","","","","","","","","","","","8","P -1","-P 1","2","","","","- C15 H17 F6 N2 O P Pt S -","- C15 H17 F6 N2 O P Pt S -","- C30 H34 F12 N4 O2 P2 Pt2 S2 -","2","1","NA1193","Bruno, G.; Nicolò, F.; Scopelliti, R.; Arena, G.","(Dimethyl sulfoxide-<i>S</i>)methyl(1,10-phenanthroline-<i>N</i>,<i>N</i>')platinum(II) Hexafluorophosphate","Acta Crystallographica Section C","1996","52","4","827","829","10.1107/S0108270195013394","","","0.71073","MoKα","","","0.0213","","","0.0497","","","","","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004792","11.388","0.004","19.834","0.006","13.009","0.005","90","","112.18","0.03","90","","2720.9","1.7","293","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Br N O3 P2 Re -","- C27 H20 Br N O3 P2 Re -","- C108 H80 Br4 N4 O12 P8 Re4 -","4","1","NA1196","Graziani, R.; Casellato, U.","[Bis(diphenylphosphino)amine-<i>P</i>,<i>P</i>']bromotricarbonylrhenium(I), [ReBr(CO)~3~{NH(PPh~2~)~2~}]","Acta Crystallographica Section C","1996","52","4","850","852","10.1107/S0108270195012844","","","0.71073","MoKα","","","0.042","","","0.042","","","","","3.69","3.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004793","7.2894","0.0009","14.221","0.004","17.324","0.005","106.49","0.03","99.47","0.02","93.37","0.01","1687.9","0.8","293","","293","","","","","","","","","5","P -1","-P 1","2","Bis(trietanolamine)Ca(II) 3,5-dinitribenzoate","Bis(trietanolamine)Ca(II) 3,5-dinitribenzoate","","- C26 H36 Ca N6 O18 -","- C26 H36 Ca N6 O18 -","- C52 H72 Ca2 N12 O36 -","2","1","NA1201","","Bis(triethanolamine)calcium 3,5-Dinitrobenzoate","Acta Crystallographica C","1996","52","","789","792","10.1107/S010827019501434X","","","0.71069","MoKα","","0.123","0.062","","0.116","0.08","","","","1.057","1.115","1.115","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004794","9.648","0.002","21.24","0.01","5.925","0.003","94.23","0.04","106.93","0.03","86.66","0.03","1157.5","0.9","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","2","NA1203","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","7-Amino-3-phenylcoumarin","Acta Crystallographica Section C","1996","52","4","899","901","10.1107/S0108270195014818","","","1.54184","CuKα","","","0.058","","","0.075","","","","","3.45","3.45","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004795","8.286","0.002","6.824","0.004","11.755","0.004","110.9","0.04","92.05","0.02","92.37","0.04","619.5","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","2,8-dimethyl-5,11-dipropyl-4,5,6,10,11,12-hexahydro-imidazo[4,5-h]- imidazo[4,5-c][1,6]diazecine","","- C18 H42 N6 O6 -","- C18 H42 N6 O6 -","- C18 H42 N6 O6 -","1","0.5","NS1004","Mendoza-Díaz, G.; Driessen, W. L.; Reedijk, J.","2,8-Dimethyl-5,11-dipropyl-1,4,5,6,7,10,11,12-octahydroimidazo[4,5-<i>h</i>]imidazo[4,5-<i>c</i>][1,6]diazecine Hexahydrate","Acta Crystallographica Section C","1996","52","4","960","962","10.1107/S0108270195011425","","","0.71073","MoKα","","0.132","0.054","","0.065","0.058","","","","1.781","2.469","2.469","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004797","6.847","0.001","10.429","0.002","13.655","0.002","90","","90","","90","","975.1","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br2.116 Cd Cl0.884 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0113","","","0.0133","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004798","6.825","0.001","10.415","0.002","13.63","0.002","90","","90","","90","","968.9","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br1.787 Cd Cl1.213 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.015","","","0.017","","","","","1.29","1.29","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004799","6.782","0.001","10.335","0.002","13.572","0.002","90","","90","","90","","951.3","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br1.183 Cd Cl1.817 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0109","","","0.0126","","","","","0.82","0.82","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004800","6.765","0.001","10.304","0.002","13.544","0.002","90","","90","","90","","944.1","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br0.962 Cd Cl2.038 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0107","","","0.012","","","","","0.88","0.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004801","6.744","0.001","10.253","0.002","13.517","0.002","90","","90","","90","","934.6","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br0.607 Cd Cl2.393 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.01","","","0.0113","","","","","0.84","0.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004802","6.716","0.001","10.192","0.002","13.476","0.002","90","","90","","90","","922.4","0.3","293","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H9 Br0.286 Cd Cl2.714 O S -","- C3 H9 Cd Cl3 O S -","- C12 H36 Cd4 Cl12 O4 S4 -","4","0.5","PA1189","De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.","Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>","Acta Crystallographica Section C","1996","52","4","812","817","10.1107/S0108270195011565","","","0.71073","MoKα","","","0.0106","","","0.013","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004803","11.513","0.002","9.806","0.003","14.78","0.004","90","","91.9","0.02","90","","1667.7","0.7","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O S3 -","- C17 H15 N O S3 -","- C68 H60 N4 O4 S12 -","4","1","PA1196","Morgant, G.; Labouze, X.; Viossat, B.; Lancelot, J.-C.; Nguyen Huy Dung","2-(2-Aminophénylthio)-2-(2-thiényl)éthyl 2-Thiényl Cétone","Acta Crystallographica Section C","1996","52","4","923","925","10.1107/S0108270195011553","","","0.71073","MoKα","","","0.047","","","0.044","","","","","0.99","0.99","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004804","18.285","0.002","7.726","0.001","16.927","0.002","90","","102.15","0.01","90","","2337.7","0.5","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 O4 -","- C15 H10 O4 -","- C120 H80 O32 -","8","1","PA1197","Molins, E.; Miravitlles, C.; Wallet, J.-C.; Gaydou, E. M.","2',6'-Dihydroxyflavone and a New Polymorph of 2'-Hydroxyflavonol","Acta Crystallographica Section C","1996","52","4","925","929","10.1107/S0108270195013679","","","0.71073","MoKα","","","0.0424","","","0.129","","","","","0.786","0.786","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004805","6.033","0.001","8.209","0.003","23.091","0.005","90","","93.55","0.01","90","","1141.4","0.5","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O4 -","- C15 H10 O4 -","- C60 H40 O16 -","4","1","PA1197","Molins, E.; Miravitlles, C.; Wallet, J.-C.; Gaydou, E. M.","2',6'-Dihydroxyflavone and a New Polymorph of 2'-Hydroxyflavonol","Acta Crystallographica Section C","1996","52","4","925","929","10.1107/S0108270195013679","","","0.71073","MoKα","","","0.04","","","0.05","","","","","1.58","1.58","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004806","11.507","0.006","12.179","0.001","7.928","0.01","90","","90.03","0.03","90","","1111.1","1.5","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O2 -","- C10 H12 N4 O2 -","- C40 H48 N16 O8 -","4","1","PA1204","Fettouhi, M.; Boukhari, A.; El Otmani, B.; Essassi, E. M.","7-Ethoxycarbonylmethyl-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section C","1996","52","4","1031","1032","10.1107/S0108270195013680","","","0.71073","MoKα","","","0.041","","","0.059","","","","","1.55","1.55","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004807","5.892","0.003","8.48","0.003","11.509","0.009","90","","90","","90","","575","0.6","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5-Amino-1,2-dimethylimidazole","5-Amino-1,2-dimethylimidazole","","- C5 H9 N3 -","- C5 H9 N3 -","- C20 H36 N12 -","4","1","PA1207","Jones, R. H.; Lothian, A. P.; Ramsden, C. A.","5-Amino-1,2-dimethylimidazole","Acta Crystallographica Section C","1996","52","4","982","984","10.1107/S0108270195011711","","","0.71069","MoKα","","0.0862","0.0365","","0.0723","0.0569","","","","0.623","0.708","0.708","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004808","5.931","0.002","20.811","0.003","12.479","0.001","90","","98.68","0.03","90","","1522.6","0.6","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 N4 O2 -","- C36 H38 N4 O2 -","- C72 H76 N8 O4 -","2","0.5","PT1018","Gunasekaran, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Karunakaran, S.; Kandaswamy, M.","2,2'-Piperazin-1,4-diyldimethylenebis[6-(benzyliminomethyl)-4-methylphenol]","Acta Crystallographica Section C","1996","52","4","1027","1028","10.1107/S0108270195010420","","","1.5418","CuKα","","","0.05","","","0.06","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004809","8.232","0.002","11.599","0.003","12.996","0.004","90","","105.85","0.02","90","","1193.7","0.6","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 B F4 N3 -","- C10 H12 B F4 N3 -","- C40 H48 B4 F16 N12 -","4","1","PT1023","Jones, R. A.; Powell, A. K.; Whitmore, A. P.","Identification of the <i>N</i>-Alkylation Product of 3-(2-Pyrrolyl)pyridazine","Acta Crystallographica Section C","1996","52","4","1002","1003","10.1107/S0108270195015307","","","0.71073","MoKα","","","0.061","","","0.105","","","","","1.17","1.17","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004810","4.829","0.001","5.843","0.001","13.61","0.002","83.39","0.01","86.16","0.01","82.63","0.02","377.78","0.12","293","","","","","","","","","","","4","P 1","P 1","1","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","1","1","PT1033","Aakeröy, C. B.; Nieuwenhuyzen, M.","4-Methylbenzylammonium 4-Methylbenzylcarbamate","Acta Crystallographica Section C","1996","52","4","957","960","10.1107/S0108270195013849","","","0.71073","MoKα","","","0.0658","","","0.1714","","","","","1.039","1.039","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004811","14.663","0.002","16.773","0.003","24.441","0.003","90","","97.3","0.01","90","","5962.4","1.5","296","1","296","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H66 As6 Cl3 F3 O3 Ru2 S -","- C49 H66 As6 Cl3 F3 O3 Ru2 S -","- C196 H264 As24 Cl12 F12 O12 Ru8 S4 -","4","1","TA1055","Heath, G. A.; Hockless, D. C. R.; Yeomans, B. D.","Two `Ruthenium-Blue' Precursors: Tri-μ-chloro-hexakis(dimethylphenylarsine)diruthenium(II) Trifluoromethanesulfonate and Tri-μ-bromo-hexakis(trimethylarsine)diruthenium(II) Trifluoromethanesulfonate","Acta Crystallographica Section C","1996","52","4","854","858","10.1107/S0108270195012534","","","0.7107","MoKα","","","0.054","","","0.055","","","","","3.03","3.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004812","10.67","0.004","14.742","0.004","26.253","0.003","90","","91.14","0.02","90","","4129","2","296","1","296","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H54 As6 Br3 F3 O3 Ru2 S -","- C19 H54 As6 Br3 F3 O3 Ru2 S -","- C76 H216 As24 Br12 F12 O12 Ru8 S4 -","4","1","TA1055","Heath, G. A.; Hockless, D. C. R.; Yeomans, B. D.","Two `Ruthenium-Blue' Precursors: Tri-μ-chloro-hexakis(dimethylphenylarsine)diruthenium(II) Trifluoromethanesulfonate and Tri-μ-bromo-hexakis(trimethylarsine)diruthenium(II) Trifluoromethanesulfonate","Acta Crystallographica Section C","1996","52","4","854","858","10.1107/S0108270195012534","","","0.7107","MoKα","","","0.034","","","0.025","","","","","1.46","1.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004813","10.74","0.002","35.173","0.005","10.057","0.002","90","","90","","90","","3799.1","1.2","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 N4 O8 -","- C40 H44 N4 O8 -","- C160 H176 N16 O32 -","4","1","TA1063","Iijima, K.; Irikawa, H.","Trichotomine Dimethyl Ester","Acta Crystallographica Section C","1996","52","4","1003","1006","10.1107/S0108270195015344","","","1.54178","CuKα","","","0.0493","","","0.0514","","","","","1","1","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004814","7.8849","0.0012","8.2625","0.0015","9.975","0.002","86.11","0.02","66.88","0.02","65.741","0.013","541.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","7-nitro-8-hydroxyquinoline-5-sulfonic acid monohydrate","","- C9 H8 N2 O7 S -","- C9 H8 N2 O7 S -","- C18 H16 N4 O14 S2 -","2","1","VJ1030","Balasubramanian, T. P.; Thomas Muthiah, P.","8-Hydroxy-7-nitroquinoline-5-sulfonic Acid Monohydrate","Acta Crystallographica Section C","1996","52","4","1017","1019","10.1107/S010827019501170X","","","0.71073","MoKα","","0.0356","0.0302","","0.0818","0.0783","","","","1.084","1.101","1.101","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004815","10.518","0.002","12.932","0.002","15.048","0.002","90","","97.99","0.02","90","","2026.9","0.6","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O7 -","- C23 H22 N2 O7 -","- C92 H88 N8 O28 -","4","1","VJ1032","","4-[(1-Cyclohexenyl)nitromethyl]-2-(3,4-methylenedioxyphenyl)-3-nitro- 3,4-dihydro-2H-1-benzopyran\δag","Acta Crystallographica C","1996","52","","1036","1038","10.1107/S0108270195013515","","","0.71073","MoKα","","","0.038","","","0.095","","","","","1.172","1.172","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004816","27.253","0.003","6.701","0.005","19.306","0.003","90","","119.782","0.009","90","","3060","2","294.2","","294.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N2 S2 -","- C14 H22 N2 S2 -","- C112 H176 N16 S16 -","8","1","VJ1034","Hussain, Z.; Fleming, F. F.; Norman, R. E.; Chang, S.-C.","3-Cyano-1-[4-(1,3-dithian-2-yl)butyl]-1,4,5,6-tetrahydropyridine","Acta Crystallographica Section C","1996","52","4","1010","1012","10.1107/S010827019501345X","","","0.7107","MoKα","","","0.0474","","","0.0578","","","","","1.868","1.868","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004817","8.2498","0.0009","15.046","0.002","16.45","0.001","90","","90","","90","","2041.9","0.4","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H29 Ca Cl O16 -","- C12 H29 Ca Cl O16 -","- C48 H116 Ca4 Cl4 O64 -","4","1","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.0515","","","0.0595","","","","","0.788","0.788","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004818","8.7037","0.0009","8.7037","0.0009","21.055","0.002","90","","90","","90","","1595","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 K O12 -","- C12 H21 K O12 -","- C48 H84 K4 O48 -","4","1","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.0409","","","0.0492","","","","","0.823","0.823","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004819","9.2358","0.0009","10.4021","0.0006","16.7994","0.0005","90","","90","","90","","1613.95","0.19","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 Na O13 -","- C12 H23 Na O13 -","- C48 H92 Na4 O52 -","4","1","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.032","","","0.0574","","","","","1.358","1.358","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004820","12.4263","0.0007","7.6563","0.0009","11.094","0.001","90","","102.073","0.006","90","","1032.13","0.17","293","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H32 Ca O19 -","- C12 H32 Ca O19 -","- C24 H64 Ca2 O38 -","2","0.5","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.0264","","","0.0425","","","","","1.765","1.765","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004821","8.4502","0.0009","12.616","0.002","18.219","0.003","90","","92.304","0.009","90","","1940.7","0.5","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl2 O2 Pt S2 -","- C16.12 H20.1 Cl2 O2 Pt S2 -","- C64.48 H80.4 Cl8 O8 Pt4 S8 -","4","1","AB1300","Ebbighausen, J.; Farrell, N.; Lövqvist, K.; Oskarsson, Å.","<i>cis</i>-(<i>R</i>,<i>S</i>)-Bis(benzyl methyl sulfoxide)dichloroplatinum(II)","Acta Crystallographica Section C","1996","52","5","1091","1093","10.1107/S0108270195015733","","","0.7107","MoKα","","","0.0529","","","0.0521","","","","","1.776","1.776","","","","","has coordinates,has disorder","192023","2020-10-21","18:00:00",""
"2004822","16.051","0.002","4.6538","0.001","9.9373","0.0012","90","","106.484","0.009","90","","711.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-GLUTAMINE","DL-GLUTAMINE","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","AB1304","Suresh, S.; Padmanabhan, S.; Vijayan, M.","<small>DL</small>-Glutamine","Acta Crystallographica Section C","1996","52","5","1313","1316","10.1107/S0108270195013771","","","0.71068","MoKα","","0.0619","0.0406","","0.1304","0.1185","","","","1.108","1.153","1.153","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004823","8.681","0.003","11.772","0.002","23.73","0.006","90","","95.8","0.2","90","","2412.6","1.4","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 N4 O16 Zn2 -","- C48 H52 N4 O16 Zn2 -","- C96 H104 N8 O32 Zn4 -","2","0.5","AB1306","Hökelek, T.; Necefouglu, H.","Bis(μ-4-hydroxybenzoato-<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)(4-hydroxybenzoato-<i>O</i>)zinc(II)] Dihydrate","Acta Crystallographica Section C","1996","52","5","1128","1131","10.1107/S0108270195015976","","","0.71069","MoKα","","","0.0328","","","0.0396","","","","","1.34","1.34","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004824","10.882","0.003","13.295","0.004","10.824","0.002","104.89","0.02","104.95","0.02","68.68","0.02","1386.1","0.7","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Ag3 Cd1.5 N11 O -","- C36 H38 Ag6 Cd3 N22 O2 -","- C36 H38 Ag6 Cd3 N22 O2 -","1","0.5","AB1315","Soma, T.; Iwamoto, T.","Supramolecular Structure of a Cadmium‒Silver Complex Forming a Two-Dimensional Network Embracing One-Dimensional Chains in a Layered Crystal Structure","Acta Crystallographica Section C","1996","52","5","1200","1203","10.1107/S0108270195016118","","","0.71069","MoKα","","","0.0568","","","0.0476","","","","","1.546","1.546","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004825","5.305","0.001","9.486","0.002","11.437","0.003","94.1","0.2","93.8","0.2","93.6","0.2","571.5","0.3","273","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C26 H20 N4 O6 -","2","1","AB1319","Durruthy Carbonell, O.; Hernandez, R. A.; Roque Infante, E. M.; Au-Alvarez, O.","Structure of <i>N</i>-(2-furylmethyl)-α-cyano-2-furanacrylamide. Addendum","Acta Crystallographica Section C","1996","52","5","1318","1318","10.1107/S010827019501612X","","","0.71073","MoKα","","","0.0364","","","0.1003","","","","","1.095","1.095","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004826","9.242","0.007","12.304","0.008","18.954","0.009","90","","92.74","0.06","90","","2153","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[dimethyl(2-hydroxyethyl)ammonium] bis[μ-acetato(O,O')- acetato(O,O')-μ-(2-dimethylaminoethanolato-N, μ-O)-μ~3~-oxo-tetraoxo- diuranate(VI)]","","- C24 H56 N4 O22 U4 -","- C24 H56 N4 O22 U4 -","- C48 H112 N8 O44 U8 -","2","0.5","AB1337","Turpeinen, U.; Hämäläinen, R.; Mutikainen, I.; Orama, O.","Bis[(2-hydroxyethyl)dimethylammonium] Bis[μ-acetato-<i>O</i>:<i>O</i>'-acetato-<i>O</i>,<i>O</i>'-μ-(2-dimethylaminoethanolato-<i>N</i>,μ-<i>O</i>)-μ~3~-oxo-tetraoxodiuranate(VI)]","Acta Crystallographica Section C","1996","52","5","1169","1171","10.1107/S0108270196000716","","","0.71069","MoKα","","0.0922","0.0501","","0.0871","0.0834","","","","1.17","1.395","1.395","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004827","26.618","0.009","8.95","0.004","10.889","0.004","90","","90","","90","","2594.1","1.7","293","2","293","2","","","","","","","","8","P b a m","-P 2 2ab","55","","","","- C17 H27 Cl Cu F6 N3 O4 P -","- C17 H27 Cl Cu F6 N3 O6 P -","- C68 H108 Cl4 Cu4 F24 N12 O24 P4 -","4","0.5","AB1348","Alcock, N. W.; Busch, D. H.; Vance, A. L.","A Copper(II) Complex of a Macrocyclic Schiff Base Ligand with a Polyether Bridge","Acta Crystallographica Section C","1996","52","5","1134","1136","10.1107/S0108270196001278","","","0.71073","MoKα","","0.0794","0.0584","","0.1768","0.1554","","","","1.016","1.033","1.033","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004828","12.083","0.003","12.267","0.003","9.967","0.001","90","","89.98","0.02","90","","1477.3","0.5","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","[(R)-1,2-diallyoxycarbonylethyl][bis(dimethylglyoximato)] [(R)-1-phenylethylamine]cobalt(III)","","- C26 H38 Co N5 O8 -","- C26 H38 Co N5 O8 -","- C52 H76 Co2 N10 O16 -","2","1","AS1195","Sato, H.; Sakai, Y.; Ohashi, Y.; Arai, Y.; Ohgo, Y.","[(<i>R</i>)-1,2-Bis(allyloxycarbonyl)ethyl]bis(dimethylglyoximato-<i>N</i>,<i>N</i>')[(<i>R</i>)-1-phenylethylamine]cobalt(III)","Acta Crystallographica Section C","1996","52","5","1086","1089","10.1107/S0108270195014399","","","0.71073","MoKα","","0.045","0.037","","0.102","0.097","","","","1.043","1.058","1.058","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004829","11.934","0.002","16.344","0.004","24.17","0.002","90","","90","","90","","4714.3","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N,N-1,3-Propylenebis(salicylaldimine)bispyridinecobalt(III) tetraphenylborate pyridine solvate.","","- C56 H51 B Co N5 O2 -","- C56 H51 B Co N5 O2 -","- C224 H204 B4 Co4 N20 O8 -","4","1","AS1219","Zhu, D.-R.; You, X.-Z.; Shi, X.-H.; Fun, H.-K.; Sivakumar, K.","[<i>N</i>,<i>N</i>'-1,3-Propylenebis(salicylaldimine)]bis(pyridine)cobalt(III) Tetraphenylborate Pyridine Solvate","Acta Crystallographica Section C","1996","52","5","1146","1148","10.1107/S0108270196000297","","","0.71073","MoKα","","0.0735","0.0453","","0.1184","0.1021","","","","0.932","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004830","12.3735","0.0004","11.4382","0.0004","22.0706","0.0011","90","","97.48","0.003","90","","3097.1","0.2","294","","","","","","","","","","","5","P 1 21/c 1","","","","","","- C31 H28 Cl4 P2 Ru -","- C31 H28 Cl3.986 P2 Ru -","- C124 H112 Cl15.944 P8 Ru4 -","4","1","BK1121","Pearson, W. H.; Shade, J. E.; Brown, J. E.; Bitterwolf, T. E.","Two Monomeric Ruthenium Complexes Containing Bidentate Bis(diphenylphosphino) Ligands","Acta Crystallographica Section C","1996","52","5","1106","1110","10.1107/S0108270195011802","","","0.71073","MoKα","","","0.029","","","0.036","","","","","1.956","1.956","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2004831","15.592","0.004","10.796","0.002","19.676","0.006","90","","109.01","0.01","90","","3131.4","1.4","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cl4 P2 Ru -","- C32 H30 Cl4 P2 Ru -","- C128 H120 Cl16 P8 Ru4 -","4","1","BK1121","Pearson, W. H.; Shade, J. E.; Brown, J. E.; Bitterwolf, T. E.","Two Monomeric Ruthenium Complexes Containing Bidentate Bis(diphenylphosphino) Ligands","Acta Crystallographica Section C","1996","52","5","1106","1110","10.1107/S0108270195011802","","","0.71073","MoKα","","","0.031","","","0.035","","","","","2.562","2.562","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2004832","21.526","0.006","6.447","0.001","12.479","0.002","90","","112.54","0.02","90","","1599.5","0.6","296","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 B Co F4 N6 O4 -","- C8 H20 B Co F4 N6 O4 -","- C32 H80 B4 Co4 F16 N24 O16 -","4","0.5","BK1127","Xu, L.; Xu, D.; Xu, Y.; Gu, J.","Diamminebis[dimethylglyoximato(1‒)]cobalt(III) Fluoborate and Perchlorate","Acta Crystallographica Section C","1996","52","5","1119","1122","10.1107/S010827019501568X","","","0.71073","MoKα","","","0.035","","","0.049","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004833","21.56","0.01","6.438","0.001","12.51","0.006","90","","111.87","0.04","90","","1611.5","1.2","296","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 Cl Co N6 O8 -","- C8 H20 Cl Co N6 O8 -","- C32 H80 Cl4 Co4 N24 O32 -","4","0.5","BK1127","Xu, L.; Xu, D.; Xu, Y.; Gu, J.","Diamminebis[dimethylglyoximato(1‒)]cobalt(III) Fluoborate and Perchlorate","Acta Crystallographica Section C","1996","52","5","1119","1122","10.1107/S010827019501568X","","","0.71073","MoKα","","","0.049","","","0.055","","","","","1.81","1.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004834","13.0354","0.0008","6.3471","0.0005","15.8833","0.0014","90","","107.217","0.006","90","","1255.25","0.17","168","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cl2 S2 -","- C30 H24 Cl2 S2 -","- C60 H48 Cl4 S4 -","2","0.5","BK1148","Freeman, F.; Lu, H.; Ziller, J. W.","(1<i>Z</i>,3<i>Z</i>)-1,4-Diphenyl-1,4-bis(3-chlorophenylmethylthio)buta-1,3-diene","Acta Crystallographica Section C","1996","52","5","1207","1209","10.1107/S0108270195012108","","","0.71073","MoKα","","","0.043","","","0.064","","","","","1.61","1.61","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004835","8.2","0.008","13.326","0.009","32.093","0.006","90","","90","","90","","3507","4","294","","","","","","","","","","","5","P b c a","","","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C144 H136 N8 O40 S8 -","8","1","BK1150","Kumaradhas, P.; Nirmala, K. A.","<i>cis</i>-(±)-3-Acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-Oxide","Acta Crystallographica Section C","1996","52","5","1259","1261","10.1107/S0108270195015411","","","0.7093","MoKα","","","0.0455","","","0.1374","","","","","1.205","1.205","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004836","8.752","0.002","27.084","0.005","17.973","0.002","90","","90","","90","","4260.3","1.3","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C16 H38 Cl N O4 -","- C16 H38 Cl N O4 -","- C128 H304 Cl8 N8 O32 -","8","1","BK1156","Miguel, O. G.; Pizzolatti, M. G.; Yunes, R. A.; Vencato, I.; Calixto, J. B.; Santos, A. R. S.; Contin, A.; Moreira, E. A.","<i>cis</i>-8,10-Di-<i>n</i>-propyllobelidiol Hydrochloride Dihydrate","Acta Crystallographica Section C","1996","52","5","1223","1225","10.1107/S0108270195014636","","","0.7093","MoKα","","","0.0609","","","0.067","","","","","4.45","4.45","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004837","14.891","0.002","7.3102","0.0011","16.1682","0.001","90","","92.38","0.007","90","","1758.5","0.4","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4-Dibenzyl-1,4-dihydroisoquinoline","4,4-Dibenzyl-1,4-dihydroisoquinoline","","- C23 H21 N -","- C23 H21 N -","- C92 H84 N4 -","4","1","BK1166","Minter, D. E.; Hinkle, K. W.; Krawiec, M.; Watson, W. H.","4,4-Dibenzyl-1,4-dihydroisoquinoline","Acta Crystallographica Section C","1996","52","5","1236","1238","10.1107/S010827019501599X","","","1.54178","CuKα","","0.0603","0.0603","","0.1022","0.1022","","","","2.26","2.26","2.26","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004838","8.366","0.001","23.193","0.002","6.854","0.001","90","","90","","90","","1329.9","0.3","294.2","","294.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 S2 -","- C13 H20 N2 S2 -","- C52 H80 N8 S8 -","4","1","BK1172","Hussain, Z.; Fleming, F. F.; Norman, R. E.; Chang, S.-C.","(9<i>S</i>,9a<i>R</i>)-1,3,4,6,7,8,9,9a-Octahydro-2<i>H</i>-quinolizine-1-spiro-2'-(1',3'-dithiane)-9-carbonitrile","Acta Crystallographica Section C","1996","52","5","1296","1298","10.1107/S0108270195014016","","","0.7107","MoKα","","","0.0316","","","0.0278","","","","","1.646","1.646","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004839","9.045","0.001","29.148","0.003","8.6766","0.0003","90","","90","","90","","2287.5","0.4","163","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 N2 O5 -","- C23 H34 N2 O5 -","- C92 H136 N8 O20 -","4","1","BK1181","Khalil, S.; Hossain, M. B.; van der Helm, D.; Alam, M.; Sanduja, R.","A Pyrazoline Derivative of Eunicin Acetate","Acta Crystallographica Section C","1996","52","5","1272","1274","10.1107/S0108270195016003","","","1.54184","CuKα","","","0.045","","","0.048","","","","","1.5","1.5","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004840","11.276","0.002","16.599","0.003","7.516","0.002","99.29","0.02","101.75","0.02","98.76","0.01","1334","0.5","296","","296","","","","","","","","","4","P -1","-P 1","2","Pamoic acid . 2pyridine","","","- C33 H26 N2 O6 -","- C33 H26 N2 O6 -","- C66 H52 N4 O12 -","2","1","BK1191","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Bis(pyridinium) Pamoate","Acta Crystallographica Section C","1996","52","5","1269","1272","10.1107/S0108270195015691","","","0.71073","MoKα","","","0.045","","","0.053","","","","","1.8","1.8","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004841","7.428","0.002","17.376","0.002","7.632","0.002","90","","116.67","0.01","90","","880.3","0.4","296.2","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","copper(II) 4-aminobenzenesulfonate tetrahydrate","","- C12 H20 Cu N2 O10 S2 -","- C12 H20 Cu N2 O10 S2 -","- C24 H40 Cu2 N4 O20 S4 -","2","0.5","BK1192","Gunderman, B. J.; Squattrito, P. J.; Dubey, S. N.","Copper and Manganese Sulfanilate Hydrates","Acta Crystallographica Section C","1996","52","5","1131","1134","10.1107/S0108270195015150","","","0.7107","MoKα","","0.0348","0.025","","0.0288","0.028","","","","","2.46","2.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004842","5.91","0.003","7.103","0.003","18.79","0.002","90","","94.77","0.02","90","","786","0.5","296.2","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","manganese(II) 4-aminobenzenesulfonate dihydrate","","- C12 H16 Mn N2 O8 S2 -","- C12 H16 Mn N2 O8 S2 -","- C24 H32 Mn2 N4 O16 S4 -","2","0.5","BK1192","Gunderman, B. J.; Squattrito, P. J.; Dubey, S. N.","Copper and Manganese Sulfanilate Hydrates","Acta Crystallographica Section C","1996","52","5","1131","1134","10.1107/S0108270195015150","","","0.7107","MoKα","","0.052","0.028","","0.0384","0.027","","","","","1.69","1.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004843","8.5033","0.0008","8.8856","0.0006","10.773","0.001","101.29","0.01","97.7","0.01","118.42","0.01","677.24","0.14","299","","","","","","","","","","","3","P 1","P 1","1","","azuleno[4,5-b]furan-2(3H)-one, 3a,4,5,7,8,9,9a,9b-octahydro-9-hydroxy- 3,6,9-trimethyl-[3S-(3α,3aα,9α,9aα,9bβ)]","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","2","BK1193","Castañeda-Acosta, J.; Fischer, N. H.; Fronczek, F. R.","The Guaianolide 11β<i>H</i>,13-Dihydromicheliolide","Acta Crystallographica Section C","1996","52","5","1263","1266","10.1107/S0108270195015435","","","0.71073","Mo-Kα","","","0.04","","","0.048","","","","","2.72","2.72","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004844","8.366","0.002","9.43","0.002","9.642","0.002","93.62","0.03","103.22","0.03","91.24","0.03","738.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrahydrogen 1,2-bis(1,4,7-triaza-1-cyclononyl)ethane tetrachlorocad mate'","","- C14 H36 Cd2 Cl8 N6 -","- C14 H36 Cd2 Cl8 N6 -","- C14 H36 Cd2 Cl8 N6 -","1","0.5","BK1194","Zompa, L. J.; Haidar, R.","Tetrahydrogen 1,2-Bis(1,4,7-triaza-1-cyclononyl)ethane Tetrachlorocadmate","Acta Crystallographica Section C","1996","52","5","1188","1190","10.1107/S0108270195015423","","","0.71073","MoKα","","0.0676","0.0487","","0.1425","0.1291","","","","1.084","1.133","1.133","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004845","10.055","0.002","14.974","0.004","17.825","0.005","90","","90","","90","","2683.8","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hippuryl-L-Histidyl-L-Leucine","","- C21 H37 N5 O10 -","- C21 H37 N5 O10 -","- C84 H148 N20 O40 -","4","1","BK1197","Vrielink, A.; Obel-Jorgensen, A.; Codding, P. W.","Hippuryl-<small>L</small>-histidyl-<small>L</small>-leucine, a Substrate for Angiotensin Converting Enzyme","Acta Crystallographica Section C","1996","52","5","1300","1302","10.1107/S0108270195016180","","","0.71069","MoKα","","0.1192","0.0671","","0.1885","0.1521","","","","0.986","0.986","0.986","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004846","12.0939","0.0007","15.464","0.004","16.854","0.002","90","","105.295","0.006","90","","3040.4","0.9","20","","20","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","bis(pentamethylcyclopentadienyl)tetra(μ-iodo)dimolybdenum(III,IV) tetraiodoferrate(III), inclusion complex with bis(pentamethylcyclopentadienyl)di(μ-iodo)(μ-oxo)diiododimolybdenum(IV)","","- C40 H60 Fe I12 Mo4 O -","- C40 H60 Fe I12 Mo4 O -","- C80 H120 Fe2 I24 Mo8 O2 -","2","0.5","BK1202","Gordon, J. C.; Fanwick, P. E.; Poli, R.","[(η^5^-C~5~Me~5~)~2~Mo~2~(μ-I)~4~]^+^[FeI~4~]^{-^}.[(η^5^-C~5~Me~5~)~2~Mo~2~I~2~(μ-I)~2~(μ-O)]","Acta Crystallographica Section C","1996","52","5","1098","1101","10.1107/S0108270195016283","","","0.71073","MoKα","","0.048","0.048","","","0.063","","","","","1.619","1.619","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004847","7.909","0.003","12.608","0.009","15.303","0.011","112.13","0.04","104.58","0.05","91.52","0.04","1355.4","1.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(1RS,2SR,6SR,7SR,8SR)1-acetoxy-3-oxatricyclo[6.5.0.0^2,7^]tridecan-6,7-diol","","- C14 H22 O5 -","- C14 H22 O5 -","- C56 H88 O20 -","4","2","BM1024","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Transposition Reaction of Oxatricyclo[6.5.0.0^2,7^]tridecane-6,7-diol Monomesylate","Acta Crystallographica Section C","1996","52","5","1243","1248","10.1107/S0108270195014417","","","1.54178","CuKα","","0.0714","0.0343","","0.098","0.0845","","","","0.932","1.05","1.05","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004848","14.815","0.002","14.264","0.002","10.55","0.002","90","","90","","90","","2229.4","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(1SR,2SR,6RS,7RS) 2-acetoxy-10-oxatricyclo[5.3.1.0^2,6^]undecan-11-one","","- C12 H16 O4 -","- C12 H16 O4 -","- C96 H128 O32 -","8","1","BM1024","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Transposition Reaction of Oxatricyclo[6.5.0.0^2,7^]tridecane-6,7-diol Monomesylate","Acta Crystallographica Section C","1996","52","5","1243","1248","10.1107/S0108270195014417","","","1.54178","CuKα","","0.059","0.0493","","0.1309","0.1076","","","","1.123","1.119","1.119","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004849","5.177","0.002","6.41","0.001","11.862","0.002","82.05","0.02","79.38","0.02","76.88","0.02","374.88","0.17","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 Cu N6 O12 -","- C8 H12 Cu N6 O12 -","- C8 H12 Cu N6 O12 -","1","0.5","BM1036","Tamaki, K.; Okabe, N.","Redetermination of a Copper(II) Complex of Violuric Acid","Acta Crystallographica Section C","1996","52","5","1125","1127","10.1107/S0108270195015496","","","0.7107","MoKα","","","0.051","","","0.052","","","","","1.53","1.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004850","9.33","0.001","9.339","0.001","12.805","0.001","82.51","0.01","77.38","0.01","84.75","0.01","1077.2","0.19","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cr N3 O4 S3 -","- C18 H18 Cr N3 O4 S3 -","- C36 H36 Cr2 N6 O8 S6 -","2","1","BM1038","Wen, T.-B.; Shi, J.-C.; Liu, Q.-T.; Kang, B.-S.; Wu, B.-M.; Mak, T. C. W.","Tris(2-sulfidopyridine <i>N</i>-oxide-<i>O</i>,<i>S</i>)chromium(III) Acetone Solvate (1/1)","Acta Crystallographica Section C","1996","52","5","1204","1206","10.1107/S0108270195014958","","","0.71073","MoKα","","","0.044","","","0.058","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004851","8.925","0.005","10.301","0.003","8.179","0.004","94.06","0.03","115.89","0.04","98.45","0.03","661.4","0.6","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N O4 S -","- C14 H11 N O4 S -","- C28 H22 N2 O8 S2 -","2","1","BM1042","Brigas, A. F.; Johnstone, R. A. W.","3-(4-Methoxyphenoxy)-1,2-benzisothiazole 1,1-Dioxide: its Relation to Mechanistic Behaviour in Catalytic Transfer Hydrogenolysis","Acta Crystallographica Section C","1996","52","5","1293","1296","10.1107/S0108270195016507","","","0.7107","MoKα","","","0.0358","","","0.0423","","","","","1.609","1.609","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004852","12.709","0.002","12.709","0.002","28.667","0.006","90","","90","","120","","4009.9","1.2","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","Tetramethylammonium trithiobenzoatotin(II)","","- C25 H27 N O3 S3 Sn -","- C25 H26.97 N O3 S3 Sn -","- C150 H161.82 N6 O18 S18 Sn6 -","6","0.333333","BM1045","Vittal, J. J.; Dean, P. A. W.","Tetramethylammonium Tris(thiobenzoato-<i>O</i>,<i>S</i>)tin(II)","Acta Crystallographica Section C","1996","52","5","1180","1182","10.1107/S0108270196000583","","","0.71073","MoKα","","0.0266","0.0251","","0.0635","0.0626","","","","1.056","1.07","1.07","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004853","7.512","0.002","11.599","0.002","12.928","0.003","90","","102.14","0.03","90","","1101.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","Catena-[Triamminezinc(II)-tri-μ-cyano-cyano-dicuprate(I)]","","- C4 H9 Cu2 N7 Zn -","- C4 H9 Cu2 N7 Zn -","- C16 H36 Cu8 N28 Zn4 -","4","1","BR1113","Černák, J.; Kappenstein, C.; Zák, Z.; Chomič, J.","Copper‒Zinc Oxide Catalysts. III. Structure of [Zn(NH~3~)~3~][Cu(CN)~2~]~2~","Acta Crystallographica Section C","1996","52","5","1067","1070","10.1107/S0108270195015654","","","0.71073","MoKα","","0.0901","0.0297","","0.0944","0.0785","","","","0.945","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004854","5.034","0.002","13.281","0.002","11.507","0.003","90","","92.04","0.03","90","","768.8","0.4","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Mercury(II) Selenite Hemihydrate","Mercury(II) Selenite - Water (2/1)","","- H2 Hg2 O7 Se2 -","- Hg2 O7 Se2 -","- Hg8 O28 Se8 -","4","1","BR1119","Koskenlinna, M.; Valkonen, J.","Mercury(II) Selenite Hemihydrate","Acta Crystallographica Section C","1996","52","5","1070","1072","10.1107/S0108270195016428","","","0.71073","Mo_Kα","","","0.036","","","0.04","","","","","0.855","0.855","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004855","6.456","0.001","4.969","0.001","14.658","0.002","90","","101.82","0.01","90","","460.26","0.13","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","amminemercury(II) selenite","monoamminemercury(II) selenate(IV)","","- H3 Hg N O3 Se -","- Hg N O3 Se -","- Hg4 N4 O12 Se4 -","4","1","BR1136","Koskenlinna, M.; Valkonen, J.; Fröhlich, R.","Amminemercury(II) Selenite","Acta Crystallographica Section C","1996","52","5","1072","1074","10.1107/S0108270195016568","","","0.71073","Mo_Kα","","","0.029","","","0.036","","","","","1.192","1.192","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004856","24.282","0.005","9.544","0.002","7.412","0.0015","90","","106.6","0.03","90","","1646.1","0.6","128","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H15 O3.5 -","- C7 H15 O3.5 -","- C56 H120 O28 -","8","1","CF1021","Murray, R. W.; Singh, M.; Rath, N. P.","Chiral α-Hydroxy Acids: Racemic 2-Hydroxy-2,3,3-trimethylbutanoic Acid and 2-Hydroxy-2-trimethylsilylpropanoic Acid","Acta Crystallographica Section C","1996","52","5","1282","1285","10.1107/S0108270195015769","","","0.71073","MoKα","","0.1571","0.0726","","0.1879","0.1573","","","","0.846","1.086","1.086","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004857","13.141","0.003","13.741","0.003","11.551","0.002","90","","112.36","0.03","90","","1928.9","0.8","298","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 O3 Si -","- C6 H14 O3 Si -","- C48 H112 O24 Si8 -","8","2","CF1021","Murray, R. W.; Singh, M.; Rath, N. P.","Chiral α-Hydroxy Acids: Racemic 2-Hydroxy-2,3,3-trimethylbutanoic Acid and 2-Hydroxy-2-trimethylsilylpropanoic Acid","Acta Crystallographica Section C","1996","52","5","1282","1285","10.1107/S0108270195015769","","","0.71073","MoKα","","0.1327","0.0799","","0.3425","0.2416","","","","1.018","1.239","1.239","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004858","13.314","0.005","10.077","0.005","36.51","0.01","90","","94.85","0.03","90","","4881","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tris(triphenylphosphine)copper(I) chloride, tetrahydrofuran solvate","Chlorotris(triphenylphosphine)copper(I)-Tetrahydrofuran (1/1)","","- C58 H53 Cl Cu O P3 -","- C58 H53 Cl Cu O P3 -","- C232 H212 Cl4 Cu4 O4 P12 -","4","1","CF1023","Carlson, T. F.; Fackler, Jnr, J. P.; Kresinski, R. A.","Chlorotris(triphenylphosphine)copper(I) Tetrahydrofuran Solvate","Acta Crystallographica Section C","1996","52","5","1117","1119","10.1107/S0108270195012819","","","0.71073","MoKα","","0.1214","0.0609","","0.1372","0.1","","","","0.945","1.14","1.14","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004859","7.402","0.005","13.172","0.006","13.686","0.006","82.9","0.04","77.85","0.04","86.53","0.04","1293.7","1.2","287","2","287","2","","","","","","","","5","P -1","-P 1","2","","calcium bis(9,10-dihydro-9-oxo-10-acridineacetate) dihydrate","","- C30 H24 Ca N2 O8 -","- C30 H24 Ca N2 O8 -","- C60 H48 Ca2 N4 O16 -","2","1","CF1027","Miernik, D.; Lis, T.","Isomorphous Polymeric Complexes of Ca^2+^ and Pb^2+^ with 9,10-Dihydro-9-oxo-10-acridineacetate (CMA^{-^}) Ligands: [<i>M</i>(CMA)~2~(H~2~O)~2~]","Acta Crystallographica Section C","1996","52","5","1171","1174","10.1107/S0108270195015757","","","1.5418","CuKα","","","0.0307","","","0.0847","","","","","1.066","1.066","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004860","7.637","0.005","13.174","0.007","13.749","0.005","82.35","0.04","78","0.04","85.04","0.05","1338.5","1.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","lead(II) bis(9,10-dihydro-9-oxo-10-acridineacetate) dihydrate","","- C30 H24 N2 O8 Pb -","- C30 H20 N2 O8 Pb -","- C60 H40 N4 O16 Pb2 -","2","1","CF1027","Miernik, D.; Lis, T.","Isomorphous Polymeric Complexes of Ca^2+^ and Pb^2+^ with 9,10-Dihydro-9-oxo-10-acridineacetate (CMA^{-^}) Ligands: [<i>M</i>(CMA)~2~(H~2~O)~2~]","Acta Crystallographica Section C","1996","52","5","1171","1174","10.1107/S0108270195015757","","","0.71069","MoKα","","","0.0284","","","0.0724","","","","","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004861","5.466","0.001","6.128","0.001","39.841","0.009","90","","90","","90","","1334.5","0.4","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dinaphtho[2,1-b.2',3'-d]furan-8-13-dione","","- C20 H10 O3 -","- C20 H10 O3 -","- C80 H40 O12 -","4","1","CF1045","Farrugia, L. J.; Scott, C. F.; Peacock, R. D.","A Naphthofuranoquinone","Acta Crystallographica Section C","1996","52","5","1310","1311","10.1107/S010827019501660X","","","0.71073","MoKα","","0.076","0.0428","","0.14","0.1016","","","","1.088","1.051","1.051","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004862","4.922","0.0005","7.7525","0.0006","16.3663","0.0011","90","","90","","90","","624.5","0.09","294","1","294","1","","","","","","","","3","P 21 c n","P -2n 2a","33","Furan-2,5-dimethanol","Furan-2,5-dimethanol","","- C6 H8 O3 -","- C6 H8 O3 -","- C24 H32 O12 -","4","1","CF1049","Glidewell, C.; Zakaria, C. M.; Ferguson, G.","Multiple Hydrogen-Bonding Modes in Furan-2,5-dimethanol and Furan-2,5-diylbis(diphenylmethanol)","Acta Crystallographica Section C","1996","52","5","1305","1309","10.1107/S0108270195014521","","","0.7107","MoKα","","0.0445","0.0301","","0.0834","0.0783","","","","1.045","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004863","9.1669","0.0012","24.06","0.003","41.768","0.004","90","","90","","90","","9212.2","1.9","294","1","294","1","","","","","","","","3","F 2 d d","F -2d 2","43","furan-2,5-diylbis(diphenylmethanol)","furan-2,5-diylbis(diphenylmethanol)","","- C30 H24 O3 -","- C30 H24 O3 -","- C480 H384 O48 -","16","1","CF1049","Glidewell, C.; Zakaria, C. M.; Ferguson, G.","Multiple Hydrogen-Bonding Modes in Furan-2,5-dimethanol and Furan-2,5-diylbis(diphenylmethanol)","Acta Crystallographica Section C","1996","52","5","1305","1309","10.1107/S0108270195014521","","","0.7107","MoKα","","0.0982","0.0394","","0.0989","0.0874","","","","0.93","1.231","1.231","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004864","9.84","0.007","16.198","0.012","5.69","0.004","90","","90","","90","","906.9","1.1","210","2","210","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,6-dichloro-3,5-dimethoxy-2,5-cyclohexadiene-1,4-dione","","- C8 H6 Cl2 O4 -","- C8 H6 Cl2 O4 -","- C32 H24 Cl8 O16 -","4","0.5","CF1054","Mukherjee, S.; Bisht, K. S.; Parmar, V. S.; Errington, W.","3,5-Dichloro-2,6-dimethoxycyclohexa-2,5-diene-1,4-dione","Acta Crystallographica Section C","1996","52","5","1211","1213","10.1107/S0108270195015745","","","0.71073","MoKα","","0.0361","0.0342","","0.0895","0.0875","","","","1.07","1.086","1.086","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004865","14.157","0.009","9.891","0.006","9.312","0.006","90","","106.85","0.05","90","","1247.9","1.4","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[3-(4-chlorophenyl)-5-thiomethyl-4,5-dihydroisoxazol-5-yl]acetonitrile","","- C12 H11 Cl N2 O S -","- C12 H11 Cl N2 O S -","- C48 H44 Cl4 N8 O4 S4 -","4","1","CF1060","Kumar, N.; Vats, A.; Parmar, V. S.; Errington, W.","[3-(4-Chlorophenyl)-5-methylthio-4,5-dihydro-5-isoxazolyl]acetonitrile","Acta Crystallographica Section C","1996","52","5","1239","1241","10.1107/S0108270195016076","","","0.71073","MoKα","","0.0402","0.0304","","0.0897","0.0746","","","","1.041","1.054","1.054","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:26",""
"2004866","11.952","0.002","6.255","0.001","11.708","0.002","90","","90","","90","","875.3","0.3","292","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H5 N5 O3 -","- C7 H5 N5 O3 -","- C28 H20 N20 O12 -","4","0.5","CR1142","Caracelli, I.; Stamato, F. M. L. G.; Mester, B.; Paulino, M.; Cerecetto, H.","A New Analogue of Nifurtimox","Acta Crystallographica Section C","1996","52","5","1281","1282","10.1107/S0108270195015824","","","0.71073","MoKα","","","0.0417","","","0.0449","","","","","1.68","1.68","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004867","10.234","0.004","6.023","0.002","18.478","0.007","90","","94.55","0.02","90","","1135.4","0.7","295","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Cl10 Cu5 O2 -","- C6 H18 Cl10 Cu5 O2 -","- C12 H36 Cl20 Cu10 O4 -","2","0.5","CR1198","Pon, G.; Willett, R. D.","Redetermination of [Cu~5~Cl~10~(<i>n</i>-C~3~H~7~OH)~2~]","Acta Crystallographica Section C","1996","52","5","1122","1123","10.1107/S0108270195012418","","","1.54178","CuKα","","","0.0682","","","0.0874","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004868","5.76","0.001","11.043","0.002","18.974","0.001","90","","90","","90","","1206.9","0.3","289","2","289","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,5-anhydro-2,3-dideoxy-2-(guanin-9-yl)-D-arabino-hexitol","","- C11 H15 N5 O4 -","- C11 H15 N5 O4 -","- C44 H60 N20 O16 -","4","1","DE1015","Declercq, R.; Herdewijn, P.; Van Meervelt, L.","1,5-Anhydro-2,3-dideoxy-2-(guanin-9-yl)-<small>D</small>-<i>arabino</i>-hexitol","Acta Crystallographica Section C","1996","52","5","1213","1215","10.1107/S0108270195015101","","","1.54178","CuKα","","0.0366","0.0359","","0.0968","0.0961","","","","1.086","1.096","1.096","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004869","10.1856","0.0001","10.8535","0.0001","23.1658","0.0002","90","","94.77","0.01","90","","2552.1","0.06","300","1","300","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Phenyl) (pyrrolidino) (dicyclohexylamino) phosphiniminocyclotrithiazene","","- C22 H35 N6 P S3 -","- C22 H35 N6 P S3 -","- C88 H140 N24 P4 S12 -","4","1","DE1019","Janaswamy, S.; Sreenivasa Murthy, G.; Mohan, T.; Sudheendra Rao, M. N.","<i>S</i>-[(Dicyclohexylamino)(phenyl)(1-pyrrolidinyl)phosphinimino]cyclotrithiazene","Acta Crystallographica Section C","1996","52","5","1250","1252","10.1107/S0108270195015381","","","0.71069","MoKα","","0.0551","0.0551","","0.147","0.147","","","","1.093","1.093","1.093","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004870","25.234","0.003","5.017","0.004","12.588","0.005","90","","108.83","0.02","90","","1508.3","1.4","296","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 Co0.5 N3 O6 -","- C4 H6 Co0.5 N3 O6 -","- C32 H48 Co4 N24 O48 -","8","1","DE1024","Tamaki, K.; Okabe, N.","Diaquabis(5-isonitrosobarbiturato)cobalt(II) Dihydrate","Acta Crystallographica Section C","1996","52","5","1124","1125","10.1107/S0108270195015903","","","0.71069","MoKα","","","0.046","","","0.05","","","","","1.5","1.5","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2004871","10.197","0.002","9.086","0.002","17.807","0.005","90","","90","","90","","1649.8","0.7","291","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 B N2 P -","- C17 H22 B N2 P -","- C68 H88 B4 N8 P4 -","4","1","DU1093","Brunel, J. M.; Buono, G.; Baldy, A.; Feneau-Dupont, J.; Declercq, J.-P.","(2<i>R</i>,5<i>S</i>)-2,3-Diphenyl-1,3,2-diazaphosphabicyclo[3.3.0]octane–Borane","Acta Crystallographica Section C","1996","52","5","1316","1317","10.1107/S0108270195013631","","","1.5418","CuKα","","","0.05","","","0.061","","","","","0.47","0.47","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004872","15.32","0.003","7.915","0.001","8.763","0.001","90","","90","","93.5","0.1","1060.6","0.3","293","2","293","2","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","m-Anisidinium Dihydrogenmonoarsenate","","- C7 H12 As N O5 -","- C7 H12 As N O5 -","- C28 H48 As4 N4 O20 -","4","1","DU1130","Abdellahi, M. O.; Jouini, T.","<i>m</i>-Anisidinium Dihydrogenmonoarsenate","Acta Crystallographica Section C","1996","52","5","1198","1200","10.1107/S0108270195012947","","","0.712","MoKα","","0.0707","0.0507","","0.1525","0.1359","","","","1.304","1.331","1.331","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004873","8.786","0.002","9.382","0.002","12.703","0.003","94.89","0.02","103.18","0.02","93.4","0.02","1012.5","0.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N4 O S -","- C22 H22 N4 O S -","- C44 H44 N8 O2 S2 -","2","1","DU1140","Toledano, P.; Ait Itto, M. Y.; Hasnaoui, A.","3-Mésityl-6-méthyl-7-méthylthio-4-phényl-6<i>H</i>-isoxazolo[5,4-<i>e</i>][1,2,4]triazépine","Acta Crystallographica Section C","1996","52","5","1230","1232","10.1107/S0108270195012741","","","0.71069","MoKα","","","0.0558","","","0.0568","","","","","4.47","4.47","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004874","11.095","0.003","10.098","0.003","11.607","0.004","90","","91.34","0.03","90","","1300.1","0.7","295","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 B F4 Fe O3 -","- C10 H11 B F4 Fe O3 -","- C40 H44 B4 F16 Fe4 O12 -","4","1","FG1014","Rheingold, A. L.; Haggerty, B. S.; Ma, H.; Ernst, R. D.","Tricarbonyl(η^5^-2,4-dimethylpentadienyl)iron Tetrafluoroborate","Acta Crystallographica Section C","1996","52","5","1110","1112","10.1107/S010827019501465X","","","0.71073","MoKα","","","0.0742","","","0.0773","","","","","1.6","1.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004875","9.474","0.001","9.529","0.002","12.16","0.002","99.98","0.01","97.16","0.01","115.92","0.01","947.2","0.3","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22.5 H22.5 Ga N1.5 -","- C22.5 H23 Ga N1.5 -","- C45 H46 Ga2 N3 -","2","1","FG1063","Sun, H.-S.; Wang, X.-M.; Sun, X.-Z.; You, X.-Z.; Wang, J.-Z.","(Acridine)trimethylgallium‒Acridine (2/1)","Acta Crystallographica Section C","1996","52","5","1184","1186","10.1107/S0108270195014661","","","0.71073","MoKα","","","0.0385","","","0.0393","","","","","1.534","1.534","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2004876","13.131","0.003","7.541","0.001","14.758","0.003","90","","96.03","0.02","90","","1453.3","0.5","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 S5 -","- C12 H14 S5 -","- C48 H56 S20 -","4","1","FG1108","Parvez, M.; Mesher, S. T. E.; Clark, P. D.","2,3,6,7-Tetrakis(methylthio)benzo[<i>b</i>]thiophene","Acta Crystallographica Section C","1996","52","5","1248","1250","10.1107/S0108270195015630","","","0.71069","MoKα","","","0.0638","","","0.0641","","","","","2.838","2.838","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004877","17.892","0.001","11.115","0.003","18.279","0.001","90","","114.431","0.004","90","","3309.6","0.9","294","","294","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","mer-Dihydrido(iodo){bis[dimethyl(diphenylphosphino\-methyl)silyl]\- amine}\-iridium(III)","","- C30 H39 I Ir N P2 Si2 -","- C30 H39 I Ir N P2 Si2 -","- C120 H156 I4 Ir4 N4 P8 Si8 -","4","1","FG1124","Fryzuk, M. D.; MacNeil, P. A.; Rettig, S. J.; Stephan, M.","<i>mer</i>-{Bis[dimethyl(diphenylphosphinomethyl)silyl]amine-<i>N</i>,<i>P</i>,<i>P</i>'}dihydrido(iodo)iridium(III)","Acta Crystallographica Section C","1996","52","5","1115","1117","10.1107/S0108270195016544","","","0.7107","MoKα","","","0.027","","","0.022","","","","","1.32","1.32","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004878","9.809","0.004","10.011","0.004","21.975","0.008","91.77","0.01","91.62","0.01","113.03","0.02","1983.1","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Bis(benzimidazol-2ylethyl)sulfide] Nickel(II)nitrate","","","- C36 H36 N10 Ni O6 S2 -","- C36 H36 N10 Ni O6 S2 -","- C72 H72 N20 Ni2 O12 S4 -","2","1","FG1136","Pandiyan, T.; Panneerselvam, K.; Soriano-García, M.; Durán de Bazúa, C.; Holt, E. M.","Bis[bis(2-benzimidazol-2-ylethyl) sulfide]nickel(II) Dinitrate","Acta Crystallographica Section C","1996","52","5","1137","1139","10.1107/S0108270195016398","","","0.71073","MoKα","","0.0829","0.0533","","0.1364","0.1181","","","","1.073","1.156","1.156","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004879","9.1293","0.0007","7.2499","0.0006","10.0753","0.0008","90","","100.793","0.006","90","","655.05","0.09","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Octahydrochrysene","1,2,3,4,7,8,9,10-octahydrochrysene","","- C18 H20 -","- C18 H20 -","- C36 H40 -","2","0.5","FG1138","Burd, C. J.; Dobson, A. J.; Gerkin, R. E.","Redetermination of Octahydrochrysene","Acta Crystallographica Section C","1996","52","5","1241","1243","10.1107/S0108270195015460","","","0.71073","MoKα","","","0.045","","","0.053","","","","","1.76","1.76","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004880","8.539","0.002","5.229","0.006","10.268","0.003","90","","97.2","0.02","90","","454.9","0.5","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-deoxy-α-D-erythro-pentopyranosyl) 1-(R),2-(R),4-triazolidine-3,5-dione","","- C7 H11 N3 O5 -","- C7 H11 N3 O5 -","- C14 H22 N6 O10 -","2","1","FG1140","Robinson, P. D.; Meyers, C. Y.; Kolb, V. M.; Colloton, P. A.","First Example of a Crystalline Urazole Nucleoside: (1<i>R</i>,2<i>R</i>)-Urazole-α-<small>D</small>-pyranosyl-2-deoxyriboside","Acta Crystallographica Section C","1996","52","5","1215","1218","10.1107/S0108270195015873","","","0.71069","MoKα","","","0.027","","","0.029","","","","","1.23","1.23","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004881","15.822","0.004","12.66","0.004","16.657","0.002","90","","91.7","0.02","90","","3335","1.4","294.2","","294.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Mo2 N2 O4 -","- C34 H46 Mo2 N2 O4 -","- C136 H184 Mo8 N8 O16 -","4","1","FG1147","Legzdins, P.; Lundmark, P. J.; Rettig, S. J.","Bis-μ-hydroxo-bis[(benzyl)(nitrosyl-<i>N</i>)(η^5^-pentamethylcyclopentadienyl)molybdenum]","Acta Crystallographica Section C","1996","52","5","1113","1115","10.1107/S0108270196001096","","","0.7107","MoKα","","","0.04","","","0.0399","","","","","2.01","2.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004882","8.444","0.002","5.015","0.002","12.5573","0.0009","90","","100.345","0.009","90","","523.1","0.2","290","","290","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N4 -","- C4 H4 N4 -","- C16 H16 N16 -","4","1","HA1153","Frampton, C. S.","1,1-Diamino-2,2-dicyanoethene","Acta Crystallographica Section C","1996","52","5","1218","1220","10.1107/S0108270195015721","","","0.7107","MoKα","","0.0474","0.032","","0.0403","0.039","","","","","2.59","2.59","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004883","12.049","0.003","17.018","0.003","17.071","0.003","90","","90","","90","","3500.4","1.2","293","","","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C10 H31 Br2 Cr N4 O3 -","- C10 H30 Br2 Cr N4 O3 -","- C80 H240 Br16 Cr8 N32 O24 -","8","1","HU1105","Palmer, R. A.; Potter, B. S.; Tanriverdi, S.; Lisgarten, J. N.; Flint, C. D.; Gazi, D. M.","Structures of Chromium(III) Cyclam Complexes. 6. <i>trans</i>-Aquahydroxy(1,4,8,11-tetraazacyclotetradecane)chromium(III) Dibromide Hydrate","Acta Crystallographica Section C","1996","52","5","1177","1180","10.1107/S0108270195012996","","","1.54178","CuKα","","","0.0629","","","0.1485","","","","","1.063","1.063","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004884","10.38719","0.00008","6.03925","0.00002","15.29563","0.00007","90","","102.825","0.0004","90","","935.572","0.009","4","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","Trirubidiumhydrogendiselenide","","- H O8 Rb3 Se2 -","- H2 O8 Rb3 Se2 -","- H8 O32 Rb12 Se8 -","4","0.5","JZ1057","Melzer, R.; Sonntag, R.; Knight, K. S.","Rb~3~H(SeO~4~)~2~ at 4K by Neutron Powder Diffraction","Acta Crystallographica Section C","1996","52","5","1061","1063","10.1107/S0108270195011085","","","","","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004885","9.69","0.003","21.62","0.004","12.835","0.003","90","","106.26","0.03","90","","2581.4","1.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3,5-Trideoxy-1,3,5-tris(trimethylammonio)-cis-inositol triiodide sesquihydrate","","- C15 H39 I3 N3 O4.5 -","- C15 H37 I3 N3 O4.5 -","- C60 H148 I12 N12 O18 -","4","1","JZ1076","Schmalle, H. W.; Hegetschweiler, K.","Hydrogen Bonding <i>versus</i> van der Waals Repulsion in 1,3,5-Trideoxy-1,3,5-tris(trimethylammonio)-<i>cis</i>-inositol Triiodide Sesquihydrate, C~15~H~36~N~3~O~3~^3+^.3I^{-^}.1.5H~2~O","Acta Crystallographica Section C","1996","52","5","1288","1293","10.1107/S0108270195013497","","","0.71073","MoKα","","0.0868","0.0472","","0.1637","0.115","","","","1.285","1.149","1.149","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004886","10.719","0.007","14.198","0.005","9.773","0.003","90.05","0.03","96.31","0.04","89.32","0.04","1478.2","1.2","","","","","","","","","","","","8","P -1","-P 1","2","","[{1,1'-bis(methylphenylphosphino)ferrocene}(pentane-2,4-dionato)palladium] tetrafluoroborate","","- C29 H31 B F4 Fe O2 P2 Pd -","- C29 H31 B F4 Fe O2 P2 Pd -","- C58 H62 B2 F8 Fe2 O4 P4 Pd2 -","2","1","JZ1104","Herberich, G. E.; Moss, S.; Schultz, A.","[1,1'-Bis(methylphenylphosphino)ferrocene-<i>P</i>,<i>P</i>'](pentane-2,4-dionato-<i>O</i>,<i>O</i>')palladium Tetrafluoroborate","Acta Crystallographica Section C","1996","52","5","1080","1082","10.1107/S0108270195016775","","","0.71073","MoKα","","","0.04","","","0.049","","","","","1.366","1.366","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2004887","37.086","0.009","16.045","0.005","12.128","0.005","90","","101.425","0.015","90","","7074","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(1,10-phenanthroline)ruthenium(II) dihexafluorophosphate","","- C36 H24 F12 N6 P2 Ru -","- C36 H24 F12 N6 P2 Ru -","- C288 H192 F96 N48 P16 Ru8 -","8","1","JZ1107","Breu, J.; Stoll, A. J.","Tris(1,10-phenanthroline)ruthenium(II) Bis(hexafluorophosphate)","Acta Crystallographica Section C","1996","52","5","1174","1177","10.1107/S0108270195017057","","","0.71069","MoKα","","0.0715","0.0435","","0.1142","0.1039","","","","0.914","1.034","1.034","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004888","13.103","0.004","7.734","0.001","13.392","0.004","90","","119.09","0.01","90","","1185.9","0.5","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[tert-Butyl(methyl)ether-O]-lithium phenylmethanide","","- C12 H19 Li O -","- C12 H19 Li O -","- C48 H76 Li4 O4 -","4","1","JZ1111","Müller, G.; Lutz, M.; Waldkircher, M.","Benzyllithium <i>tert</i>-Butyl Methyl Etherate","Acta Crystallographica Section C","1996","52","5","1182","1184","10.1107/S0108270196000923","","","0.71069","MoKα","","0.1607","0.0526","","0.1379","0.1058","","","","1.006","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004889","20.756","0.001","6.16","0.001","21.475","0.001","90","","97.32","0.01","90","","2723.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 N2 Ni O2 -","- C36 H28 N2 Ni O2 -","- C144 H112 N8 Ni4 O8 -","4","0.5","KA1135","Elerman, Y.; Kabak, M.; Tahir, M. N.","Bis(<i>N</i>-benzyl-2-hydroxy-1-naphthaldiminato)nickel(II)","Acta Crystallographica Section C","1996","52","5","1154","1156","10.1107/S0108270195016015","","","0.71073","MoKα","","0.123","0.045","","0.211","0.075","","","","2.42","1.18","1.18","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004890","15.187","0.005","12.883","0.003","11.468","0.003","90","","90","","90","","2243.8","1.1","293","","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","4,5-ethylenedioxy-1,3-dimethyl-dihydrouric acid","cis-4,5-ethylenedioxy-1,3-dimethyltetrahydropurine-2,6,8-trione","","- C9 H12 N4 O5 -","- C9 H12 N4 O5 -","- C72 H96 N32 O40 -","8","2","KA1144","Poje, N.; Poje, M.; Vickovic, I.","<i>cis</i>-Perhydro-1,3-dimethyl-4,5-(epoxyethanoxy)purine-2,6,8-trione","Acta Crystallographica Section C","1996","52","5","1311","1313","10.1107/S0108270195011322","","","1.54178","CuKα","","0.0465","0.0426","","0.0725","0.0711","","","","0.982","1.013","1.013","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004891","12.461","0.006","6.454","0.004","13.621","0.005","90","","107.57","0.01","90","","1044.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-hydroxyantipyrine","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","KA1148","Panneerselvam, K.; Jayanthi, N.; Rudiño-Piñera, E.; Soriano-García, M.","4-Hydroxyantipyrine","Acta Crystallographica Section C","1996","52","5","1257","1258","10.1107/S0108270195015459","","","1.54178","CuKα","","0.0506","0.047","","0.1226","0.1177","","","","1.073","1.091","1.091","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004892","14.819","0.001","10.765","0.001","20.673","0.002","90","","92.28","","90","","3295.3","0.5","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hexakis(N,N-dimethylformamide)-nickel(II) Diperchlorate","","- C18 H42 Cl2 N6 Ni O14 -","- C18 H42 Cl2 N6 Ni O14 -","- C72 H168 Cl8 N24 Ni4 O56 -","4","1","KA1163","McKee, V.; Metcalfe, T.; Wikaira, J.","Hexakis(<i>N</i>,<i>N</i>-dimethylformamide)nickel(II) Diperchlorate","Acta Crystallographica Section C","1996","52","5","1139","1141","10.1107/S010827019501523X","","","0.71073","MoKα","","0.0588","0.0407","","0.1109","0.0931","","","","1.035","1.07","1.07","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004893","13.926","0.002","32.8","0.004","6.283","0.004","90","","90","","90","","2869.9","1.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C120 H192 O20 -","4","1","KA1164","Böcskei, Z.; Szendi, Z.; Sweet, F.","A Side-Chain Substituted Cholesterol Analog","Acta Crystallographica Section C","1996","52","5","1302","1304","10.1107/S0108270195016295","","","1.5418","CuKα","","0.2176","0.0705","","0.3207","0.1907","","","","1.051","1.2","1.2","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004894","21.64","0.002","7.866","0.001","6.72","0.01","90","0.01","96.16","0.01","90","0.009","1137.3","1.7","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","ethyl p-methoxycinnamate","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","KA1167","Luger, P.; Weber, M.; Dung, N. X.; Tuyet, N. T. B.","Ethyl <i>p</i>-Methoxycinnamate from <i>Kaempferia galanga L</i>. in Vietnam","Acta Crystallographica Section C","1996","52","5","1255","1257","10.1107/S0108270195016027","","","1.5418","CuKαradiation,Nifiltered","","0.053","0.039","","0.044","0.034","","","","0.497","0.418","0.418","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004895","20.054","0.004","13.005","0.003","9.611","0.002","90","","90","","90","","2506.6","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis[(benzoato-O,O')bis(nicotinamide-N)]copper(II)","","- C26 H22 Cu N4 O6 -","- C26 H22 Cu N4 O6 -","- C104 H88 Cu4 N16 O24 -","4","0.5","KA1172","Leban, I.; Segedin, P.; Gruber, K.","Bis(benzoato-<i>O</i>,<i>O</i>')bis(nicotinamide-<i>N</i>)copper(II)","Acta Crystallographica Section C","1996","52","5","1096","1098","10.1107/S0108270195017240","","","0.71073","MoKα","","0.1098","0.0531","","0.1785","0.1224","","","","1.074","1.063","1.063","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:26",""
"2004896","12.464","0.003","14.934","0.003","17.46","0.003","90","","90","","90","","3250","1.2","293","","293","","","","","","","","","7","C 2 2 21","C 2c 2","20","","bis[bis(4-methylthiazolinylidene)gold(I)] tetrachlorozincate dichloromethane","","- C8.5 H11 Au Cl3 N2 S2 Zn0.5 -","- C10 H8 Au Cl2 N2 S2 Zn0.5 -","- C80 H64 Au8 Cl16 N16 S16 Zn4 -","8","1","KH1025","Kruger, G. J.; Olivier, P. J.; Otte, R.; Raubenheimer, H. G.","Bis[bis(4-methylthiazolin-2-ylidene)gold(I)] Tetrachlorozincate Dichloromethane","Acta Crystallographica Section C","1996","52","5","1159","1161","10.1107/S0108270195015514","","","0.7093","MoKα","","0.078","0.05","","0.055","0.054","","","","3.587","4.045","4.045","","","","","has coordinates","188742","2020-10-21","18:00:00",""
"2004897","9.46","0.002","19.572","0.004","20.017","0.006","90","","92.58","0.02","90","","3702.4","1.6","300","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Ag Cl N2 P2 S2 -","- C38 H34 Ag Cl N2 P2 S2 -","- C152 H136 Ag4 Cl4 N8 P8 S8 -","4","1","KH1051","Long, D.-L.; Xin, X.-Q.; Huang, X.-Y.; Kang, B.-S.","Chloro(ethanedithioamide-<i>S</i>)bis(triphenylphosphine)silver(I)","Acta Crystallographica Section C","1996","52","5","1161","1163","10.1107/S0108270195013813","","","0.71073","MoKα","","","0.037","","","0.049","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004898","8.215","0.001","17.387","0.002","10.042","0.001","90","","101.92","0.01","90","","1403.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 Li N2 O4 -","- C12 H19 Li N2 O4 -","- C48 H76 Li4 N8 O16 -","4","1","KH1058","Näther, C.; John, A.; Ruppert, K.; Bock, H.","Bis(<i>N</i>,<i>N</i>-dimethylformamide)(pyrocatecholato-<i>O</i>,<i>O</i>')lithium","Acta Crystallographica Section C","1996","52","5","1166","1168","10.1107/S010827019501571X","","","0.71073","MoKα","","0.101","0.0453","","0.0894","0.0788","","","","0.974","1.136","1.136","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004899","9.358","0.001","13.408","0.001","13.755","0.001","90","","90","","90","","1725.9","0.3","298","3","","","","","","","","","","5","P m c n","-P 2n -21","","","","","- C12 H24 Cu N6 S2 -","- C6.5 H12 Cu0.5 N3.5 S1.5 -","- C26 H48 Cu2 N14 S6 -","4","0.5","KH1068","Lu, T.-H.; Tahirov, T. H.; Liu, Y.-L.; Chung, C.-S.; Huang, C.-C.; Hong, Y.-S.","(Isothiocyanato)[(1<i>RS</i>,4<i>RS</i>,8<i>SR</i>,11<i>SR</i>)-1,4,8,11-tetraazacyclotetradecane]copper(II) Thiocyanate, [Cu(NCS)(cyclam)](SCN)","Acta Crystallographica Section C","1996","52","5","1093","1095","10.1107/S0108270195016519","","","0.71073","MoKα","","","0.041","","","0.048","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004900","6.374","0.001","9.917","0.002","26.743","0.003","90","","90","","90","","1690.5","0.5","293","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H12 O5 -","- C7 H12 O5 -","- C56 H96 O40 -","8","1","LI1141","Zukerman-Schpector, J.; Caracelli, I.; Varanda, N. A.; Brockson, U.","Synthesis and Relative Configuration of (±)-(1α,2β,3β,4α)-1,2,3,4-Cyclopentanetetrol 1-Acetate","Acta Crystallographica Section C","1996","52","5","1298","1299","10.1107/S0108270195015812","","","0.71073","MoKα","","0.0711","0.0472","","0.3476","0.1185","","","","1.082","1.068","1.068","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004901","25.99","0.002","7.078","0.001","13.203","0.001","90","","103.82","0.05","90","","2358.5","0.7","296","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis-(N-4-chlorobenzilydene 2-mercaptoaniline)nickel(II)","","- C26 H18 Cl2 N2 Ni S2 -","- C26 H18 Cl2 N2 Ni S2 -","- C104 H72 Cl8 N8 Ni4 S8 -","4","0.5","MU1204","Ercan, F.; Ülkü, D.; Ancin, N.; Oztas, S. G.; Tüzün, M.","Bis[<i>N</i>-(4-chlorobenzylidene)-2-mercaptoanilinato]nickel(II)","Acta Crystallographica Section C","1996","52","5","1141","1143","10.1107/S0108270195014594","","","0.71073","MoKα","","","0.047","","","0.05","","","","","0.73","0.73","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2004902","14.644","0.006","15.644","0.004","23.085","0.004","90","","90","","90","","5289","3","296","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C24 H24 N2 Ni O2 S4 -","- C24 H24 N2 Ni O2 S4 -","- C192 H192 N16 Ni8 O16 S32 -","8","0.5","MU1212","Xiong, R.-G.; Zuo, J.-L.; You, X.-Z.; Huang, X.-Y.","<i>trans</i>-Bis(<i>O</i>-ethyl dithiocarbonato-<i>S</i>,<i>S</i>')bis(isoquinoline)nickel(II)","Acta Crystallographica Section C","1996","52","5","1157","1159","10.1107/S0108270195014727","","","0.71073","MoKα","","","0.056","","","0.068","","","","","1.69","1.69","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004903","13.012","0.002","14.133","0.002","11.856","0.002","92.96","0.01","112.946","0.009","77.55","0.01","1959.3","0.5","293.2","","293.2","","","","","","","","","7","P -1","-P 1","2","","","","- C8 H42 Co2 Mo6 N2 O37 P4 -","- C8 H24 Co2 Mo6 N2 O37 P4 -","- C16 H48 Co4 Mo12 N4 O74 P8 -","2","1","MU1218","Lightfoot, P.; Masson, D.","[N(CH~3~)~4~]~2~[Co~2~Mo~6~O~12~(OH)~4~(PO~4~)(HPO~4~)~2~(H~2~PO~4~)].5H~2~O, a New One-Dimensional Molybdenum Phosphate","Acta Crystallographica Section C","1996","52","5","1077","1080","10.1107/S0108270195015551","","","0.71073","MoKα","","","0.041","","","0.057","","","","","4.91","4.91","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004904","8.601","0.001","8.768","0.001","15.008","0.002","89.32","0.01","83.97","0.01","81.22","0.01","1112.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(S-methyl-β-N-(4-methoxyphenyl)methylendithiocarbazide) nickel(II).","","- C20 H22 N4 Ni O2 S4 -","- C20 H22 N4 Ni O2 S4 -","- C40 H44 N8 Ni2 O4 S8 -","2","1","MU1220","Fun, H.-K.; Sivakumar, K.; Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.","Bis[methyl <i>N</i>^{β^}-(4-methoxyphenylmethylene)dithiocarbazato]nickel(II)","Acta Crystallographica Section C","1996","52","5","1143","1145","10.1107/S0108270195015290","","","0.71073","MoKα","","0.0367","0.0328","","0.0942","0.0914","","","","1.063","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004905","8.534","0.001","8.765","0.001","9.975","0.001","87.56","0.01","64.89","0.01","72.26","0.01","640.23","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-methyl-4-methylpyridinium) bis(maleonitriledithiolate) nickel(II).","","- C22 H20 N6 Ni S4 -","- C22 H20 N6 Ni S4 -","- C22 H20 N6 Ni S4 -","1","0.5","MU1222","Shan, B.-Z.; Zhang, X.-M.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","Bis(1,4-dimethylpyridinium) Bis(maleonitriledithiolato)nickelate(II)","Acta Crystallographica Section C","1996","52","5","1148","1150","10.1107/S0108270195014429","","","0.71073","MoKα","","0.0347","0.0327","","0.0984","0.0971","","","","1.077","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004906","27.858","0.005","8.094","0.002","9.951","0.002","90","","90","","90","","2243.8","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Morpholinyl-3-phenylthiourea.","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C88 H112 N16 O8 S8 -","8","2","MU1225","Ramnathan, A.; Sivakumar, K.; Srinivasan, N.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","<i>N</i>-Phenyl-4-morpholinecarbothioamide and <i>N</i>-(2-Tolyl)-4-morpholinecarbothioamide","Acta Crystallographica Section C","1996","52","5","1285","1288","10.1107/S0108270195015010","","","0.71073","MoKα","","0.063","0.047","","0.1401","0.1309","","","","1.065","1.173","1.173","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004907","40.201","0.005","7.59","0.001","7.829","0.001","90","","90","","90","","2388.8","0.5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1-Morpholinyl-3-tolylthiourea.","","- C12 H16 N2 O S -","- C12 H16 N2 O S -","- C96 H128 N16 O8 S8 -","8","1","MU1225","Ramnathan, A.; Sivakumar, K.; Srinivasan, N.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","<i>N</i>-Phenyl-4-morpholinecarbothioamide and <i>N</i>-(2-Tolyl)-4-morpholinecarbothioamide","Acta Crystallographica Section C","1996","52","5","1285","1288","10.1107/S0108270195015010","","","0.71073","MoKα","","0.094","0.0507","","0.305","0.1396","","","","0.966","1.036","1.036","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004908","13.3698","0.0002","8.5803","0.0001","16.5573","0.0001","90","","109.459","0.001","90","","1790.91","0.04","153","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-methyl-8-quinolinolato) Molybdenum","","- C20 H16 Mo N2 O4 -","- C20 H16 Mo N2 O4 -","- C80 H64 Mo4 N8 O16 -","4","1","MU1231","Fun, H.-K.; Sivakumar, K.; Niu, J.-Y.; Wang, J.-P.; You, X.-Z.","<i>cis</i>-Bis(2-methyl-8-quinolinolato-<i>N</i>,<i>O</i>)dioxomolybdenum(VI)","Acta Crystallographica Section C","1996","52","5","1150","1152","10.1107/S0108270195016933","","","0.71073","MoKα","","0.0238","0.0229","","0.0556","0.0552","","","","1.143","1.144","1.144","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004909","7.438","0.001","15.332","0.002","17.722","0.003","103.36","0.01","92.14","0.01","101.7","0.01","1917.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis-4-{(p-dimethylamino)styryl}pyridinium bis(maleonitriledithiolate) nickelate(II).","","- C40 H38 N8 Ni S4 -","- C40 H38 N8 Ni S4 -","- C80 H76 N16 Ni2 S8 -","2","1","MU1233","Fun, H.-K.; Sivakumar, K.; Shan, B.-Z.; You, X.-Z.","Bis[4-(4-dimethylaminostyryl)-<i>N</i>-methylpyridinium] Bis[maleonitriledithiolato(2‒)-<i>S</i>,<i>S</i>']nickelate(II)","Acta Crystallographica Section C","1996","52","5","1152","1154","10.1107/S0108270195016921","","","0.71073","MoKα","","0.0566","0.0368","","0.1059","0.0975","","","","0.934","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004910","9.431","0.002","11.27","0.002","15.781","0.003","90","","91.13","0.03","90","","1677","0.6","193","2","193","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Dichlorophenyl imino Zirconium dimer THF adduct","Zr,Zr,Zr',Zr'-TetrachloroDi(μ-Phenyl-imino)Zr,Zr,Zr',Zr'- Tetrakis(Tetrahydrofurane)DiZirconium(IV)","","- C28 H42 Cl4 N2 O4 Zr2 -","- C28 H42 Cl4 N2 O4 Zr2 -","- C56 H84 Cl8 N4 O8 Zr4 -","2","0.5","MU1234","Polamo, M.; Mutikainen, I.; Leskelä, M.","A 1:4 Adduct of Tetrachlorobis(μ-phenylimido)dizirconium(IV) and Tetrahydrofuran","Acta Crystallographica Section C","1996","52","5","1082","1084","10.1107/S0108270195016891","","","0.71069","MoKα","","0.0408","0.0362","","0.0896","0.0871","","","","1.037","1.064","1.064","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004911","11.755","0.008","14.521","0.003","15.884","0.005","89.333","0.001","77.715","0.001","67.027","0.001","2431.4","1.9","298","","","","","","","","","","","6","P -1","-P 1","2","","Bis(Tetraphenylphosphonium)Tetrachloro-dioxouranium(VI).dichloromethane","","- C49 H42 Cl6 O2 P2 U -","- C49 H42 Cl6 O2 P2 U -","- C98 H84 Cl12 O4 P4 U2 -","2","1","MU1235","Brown, D. R.; Chippindale, A. M.; Denning, R. G.","Bis(tetraphenylphosphonium) Tetrachlorodioxouranate(VI) Dichloromethane Solvate","Acta Crystallographica Section C","1996","52","5","1164","1166","10.1107/S0108270195016908","","","0.71069","MoKα","","","0.0461","","","0.0491","","","","","1.0864","1.0864","","","","","has coordinates","189213","2020-10-21","18:00:00",""
"2004912","8.131","0.003","10.052","0.004","18.473","0.004","100.75","0.04","101.52","0.04","99.03","0.04","1423.6","0.9","297","2","295","2","","","","","","","","5","P -1","-P 1","2","","(3,8,12,17-Me~4~-(9,10,11)(18,1,2)pyo~2~-[18]-3,7,12,16-tetraene- 1,4,7,10,13,16-N~6~)tris(isothiocyanato-N)europium tris(isocyanato-N)(2,7,13,18-tertamethyl-3,6,14,17,23,24-hexaazatricyclo [17.3.1.1^8,12^]tetracosa-1(23),8(24),9,11,19,21-hexaene-N^3^,N^6^,N^14^, N^17^,N^23^,N^24^)europium","","- C25 H26 Eu N9 S3 -","- C25 H26 Eu N9 S3 -","- C50 H52 Eu2 N18 S6 -","2","1","NA1202","Benetollo, F.; Bombieri, G.; Vallarino, L. M.","The β Form of the Macrocyclic Complex [Eu(NCS)~3~(C~22~H~26~N~6~)]","Acta Crystallographica Section C","1996","52","5","1190","1193","10.1107/S0108270195015484","","","0.71069","MoKα","","0.0293","0.0276","","0.0731","0.0696","","","","1.103","1.103","1.103","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004913","10.6262","0.001","18.101","0.002","14.1962","0.0014","90","","107.376","0.008","90","","2606","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tricarbonyl(cyclopentadienyl)(selenotriphenylphosphonium)tungsten(I) Perchlorate","","- C26 H20 Cl O7 P Se W -","- C26 H20 Cl O7 P Se W -","- C104 H80 Cl4 O28 P4 Se4 W4 -","4","1","NA1204","Thöne, C.; Jones, P. G.","Tricarbonyl(cyclopentadienyl)(selenotriphenylphosphonium)tungsten(I) Perchlorate, [W(C~5~H~5~)(C~18~H~15~PSe)(CO)~3~](ClO~4~)","Acta Crystallographica Section C","1996","52","5","1084","1086","10.1107/S0108270195015289","","","0.71073","MoKα","","0.0461","0.0275","","0.056","0.0524","","","","0.905","0.992","0.992","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004914","6.8415","0.0003","24.411","0.003","19.377","0.001","90","","95.888","0.006","90","","3219","0.5","298","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-9-methyl-9H-carbazol-1,2-dimethyldicarboxalat","","- C18 H17 N O5 -","- C18.5 H17 N O4.5 -","- C148 H136 N8 O36 -","8","2","NA1206","Schollmeyer, D.; Fischer, G.; Pindur, U.","Pyrrolo-Annellated Carbazoles as Potential Antitumour-Active Compounds: Dimethyl 4-Methoxy-9-methyl-9<i>H</i>-carbazole-1,2-dicarboxylate and 5-Hydroxy-2-phenyl-10-methyl-1,2,3,10-tetrahydropyrrolo[3,4-<i>a</i>]carbazole-1,3-dione Methanol Solvate","Acta Crystallographica Section C","1996","52","5","1277","1280","10.1107/S010827019501609X","","","1.5416","CuKα","","","0.06","","0.07","","","","","6.88","","","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2004915","22.028","0.002","11.698","0.001","7.0116","0.0003","90","","90","","90","","1806.8","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Benzene-9-hydroxy-4-methyl-2H,4H-pyrrolo-[2,3-b]carbazole-1,3-dione","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C88 H72 N8 O16 -","4","1","NA1206","Schollmeyer, D.; Fischer, G.; Pindur, U.","Pyrrolo-Annellated Carbazoles as Potential Antitumour-Active Compounds: Dimethyl 4-Methoxy-9-methyl-9<i>H</i>-carbazole-1,2-dicarboxylate and 5-Hydroxy-2-phenyl-10-methyl-1,2,3,10-tetrahydropyrrolo[3,4-<i>a</i>]carbazole-1,3-dione Methanol Solvate","Acta Crystallographica Section C","1996","52","5","1277","1280","10.1107/S010827019501609X","","","1.5418","CuKα","","0.098","0.0628","","0.1852","0.1619","","","","1.009","1.047","1.047","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004916","10.044","0.003","10.044","0.003","10.044","0.003","90","","90","","90","","1013.3","0.5","296","","23","","","","","","","","","3","F 2 2 2","F 2 2","22","","","","- Re4 S4 Te4 -","- Re4 S4 Te4 -","- Re16 S16 Te16 -","4","0.25","OH1089","Fedorov, V. E.; Mironov, Y. V.; Fedin, V. P.; Imoto, H.; Saito, T.","Re~4~S~4~Te~4~","Acta Crystallographica Section C","1996","52","5","1065","1067","10.1107/S0108270195016763","","","0.7107","MoKα","","","0.0286","","","0.0224","","","","","4.27","4.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004917","3.908","0.001","3.908","0.001","11.16","0.004","90","","90","","90","","170.44","0.09","296","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Cs La Nb2 O7 -","- Cs La Nb2 O7 -","- Cs La Nb2 O7 -","1","0.0625","OH1090","Kumada, N.; Kinomura, N.; Sleight, A. W.","CsLaNb~2~O~7~","Acta Crystallographica Section C","1996","52","5","1063","1065","10.1107/S0108270195015848","","","0.71069","MoKα","","","0.026","","","0.031","","","","","1.79","1.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004918","6.5901","0.0008","9.4434","0.0009","14.983","0.002","90","","90","","90","","932.44","0.19","291","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H14 N2 O5 Pt -","- C5 H14 N2 O5 Pt -","- C20 H56 N8 O20 Pt4 -","4","0.5","PA1135","Bréhin, P.; Chottard, J. C.; Kozelka, J.; Bois, C.","Diammine(dimethylmalonato)platinum(II) Monohydrate","Acta Crystallographica Section C","1996","52","5","1186","1188","10.1107/S010827019501482X","","","0.7107","MoKα","","","0.029","","","0.037","","","","","1.05","1.05","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004919","19.238","0.005","24.477","0.003","15.79","0.02","90","","109.52","0.02","90","","7008","9","123","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","β-Cyclodextrin-Z-9-dodecenol complex","cyclomaltoheptaose-Z-9-dodecen-1-ol complex","","- C49 H104 O46 -","- C48.81 H52.43 O45.37 -","- C195.24 H209.72 O181.48 -","4","1","PA1191","Mentzafos, D.; Mavridis, I. M.; Hursthouse, M. B.","β-Cyclodextrin (<i>Z</i>)-9-Dodecen-1-ol 2:1 Complex","Acta Crystallographica Section C","1996","52","5","1220","1223","10.1107/S0108270195014703","","","0.071069","MoKα","","0.0901","0.0679","","0.2204","0.1842","","","","0.596","0.732","0.732","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004920","19.825","0.005","16.714","0.002","4.905","0.001","90","","90","","90","","1625.3","0.6","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","5,6-BENZO-4,7-DIOXA-1,10,14-TRIAZACYCLOHEPTADECANE-2,9-DIONE","","- C16 H23 N3 O4 -","- C16 H23 N3 O4 -","- C64 H92 N12 O16 -","4","0.5","PA1212","","Structure-Based Rationalization of the Ionophore Character of Lead-Selective Amide‒Ether‒Amine-Containing Macrocycles: 2,3-Benzo-1,4-dioxa-7,11,15-triazacycloheptadec-2-ene-6,16-dione and 2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione‒Water (1/2)","Acta Crystallographica C","1996","52","","1232","1236","10.1107/S0108270195015198","","","1.5418","CuKα","","0.133","0.039","","0.108","0.039","","","","1.918","1.219","1.219","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004921","7.3684","0.0009","22.641","0.003","10.479","0.002","90","","110.44","0.01","90","","1638.1","0.4","293","","293","","","","","","","","","4","I 1 a 1","I -2ya","9","","Diaqua 5,6-benzo-4,7-dioxa-1,10,13-triazacyclopentadecane-2,9-dione","","- C14 H23 N3 O6 -","- C14 H23 N3 O6 -","- C56 H92 N12 O24 -","4","1","PA1212","","Structure-Based Rationalization of the Ionophore Character of Lead-Selective Amide‒Ether‒Amine-Containing Macrocycles: 2,3-Benzo-1,4-dioxa-7,11,15-triazacycloheptadec-2-ene-6,16-dione and 2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione‒Water (1/2)","Acta Crystallographica C","1996","52","","1232","1236","10.1107/S0108270195015198","","","1.5418","CuKα","","0.05","0.041","","0.052","0.045","","","","1.191","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004922","9.484","0.002","7.812","0.002","26.171","0.005","90","","94.64","0.03","90","","1932.6","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3-bis(2-imidazolyl)propionic acid hemihydrate","","- C9 H11 N4 O2.5 -","- C9 H11 N4 O2.5 -","- C72 H88 N32 O20 -","8","2","PA1214","Gimeno, B.; Sancho, A.; Soto, L.; Legros, J.-P.","3,3-Bis(2-imidazolyl)propionic Acid Hemihydrate","Acta Crystallographica Section C","1996","52","5","1226","1228","10.1107/S0108270195016222","","","0.71069","MoKα","","","0.04","","","0.043","","","","","2.44","2.44","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004923","9.16","0.006","7.819","0.005","9.57","0.004","80.49","0.05","113.72","0.04","98.97","0.05","615.9","0.7","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N O3 S -","- C13 H11 N O3 S -","- C26 H22 N2 O6 S2 -","2","1","PT1031","Howie, R. A.; Wardell, J. L.","4-Methoxyphenyl 2-Nitrophenyl Sulfide","Acta Crystallographica Section C","1996","52","5","1228","1230","10.1107/S0108270195015587","","","0.71073","MoKα","","","0.032","","","0.037","","","","","1.24","1.24","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004924","7.852","0.002","13.714","0.002","13.265","0.003","90","","118.98","0.01","90","","1249.6","0.5","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Cu2 N8 O4 -","- C28 H16 Cu2 N8 O4 -","- C56 H32 Cu4 N16 O8 -","2","0.5","PT1036","Parker, O. J.; Wolther, M. P.; Breneman, G. L.","Di-μ-isocyanato-bis[isocyanato(1,10-phenanthroline)copper(II)]","Acta Crystallographica Section C","1996","52","5","1089","1091","10.1107/S0108270195016799","","","0.71073","MoKα","","","0.028","","","0.036","","","","","1.44","1.44","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004925","11.36","0.002","35.845","0.005","11.495","0.002","90","","90.95","0.02","90","","4680.1","1.3","293","","","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 B Br Cl2 D10 F4 O P2 Pt -","- C49 H38 B Br Cl2 F4 P2 Pt -","- C196 H152 B4 Br4 Cl8 F16 P8 Pt4 -","4","1","SZ1018","Klosin, J.; Jones, W. M.; Abboud, K. A.","Two Forms of Bromo(cycloheptatrienylidene)bis(triphenylphosphine)platinum(II)","Acta Crystallographica Section C","1996","52","5","1101","1104","10.1107/S010827019501016X","","","0.71073","MoKα","","","0.0509","","","0.0578","","","","","1.57","1.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004926","10.943","0.003","15.861","0.004","27.756","0.007","90","","90","","90","","4818","2","293","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C47 H44 B Br F4 O P2 Pt -","- C51 B Br F4 O2 P2 Pt -","- C204 B4 Br4 F16 O8 P8 Pt4 -","4","1","SZ1018","Klosin, J.; Jones, W. M.; Abboud, K. A.","Two Forms of Bromo(cycloheptatrienylidene)bis(triphenylphosphine)platinum(II)","Acta Crystallographica Section C","1996","52","5","1101","1104","10.1107/S010827019501016X","","","0.71073","MoKα","","","0.0646","","","0.0736","","","","","2.05","2.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004927","11.792","0.002","8.563","0.002","13.061","0.004","90","","90","","90","","1318.8","0.6","296","1","296","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Cl2 N4 Ru -","- C8 H12 Cl2 N4 Ru -","- C32 H48 Cl8 N16 Ru4 -","4","0.5","TA1049","Bown, M.; Hockless, D. C. R.","<i>trans</i>-Tetrakis(acetonitrile)dichlororuthenium(II), [RuCl~2~(MeCN)~4~]","Acta Crystallographica Section C","1996","52","5","1105","1106","10.1107/S0108270195015320","","","0.7107","MoKα","","","0.0208","","","0.0165","","","","","1.577","1.577","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004928","8.802","0.006","9.517","0.005","10.989","0.008","100.15","0.05","106.51","0.06","101.75","0.05","836.8","1","298","","298","","","","","","","","","5","P -1","-P 1","2","","Trikis-(piperizinium) octamolybdate","","- C12 H36 Mo8 N6 O27 -","- C12 H36 Mo8 N6 O27 -","- C12 H36 Mo8 N6 O27 -","1","0.5","TA1054","Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J.","Tris(piperazinium) Octamolybdate, (C~4~H~12~N~2~)~3~[Mo~8~O~27~]","Acta Crystallographica Section C","1996","52","5","1075","1077","10.1107/S0108270195015642","","","0.71073","MolybdenumKα","","0.033","0.033","","0.026","0.026","","","","1.03","1.03","1.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004929","9.734","0.001","17.075","0.001","9.764","0.001","90","","96.4","0.01","90","","1612.7","0.3","295","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(trimethylsilyl)-3-methyl-3H-benz[f]indolyl-3-hydroperoxide","","- C16 H19 N O2 Si -","- C16 H19 N O2 Si -","- C64 H76 N4 O8 Si4 -","4","2","TA1061","Morales, G. A.; Fronczek, F. R.","A Kryptoracemic Hydroperoxide","Acta Crystallographica Section C","1996","52","5","1266","1268","10.1107/S010827019501537X","","","1.54184","CuKα","","","0.041","","","0.048","","","","","2.146","2.146","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004930","8.075","0.003","8.382","0.002","22.978","0.007","90","","90","","90","","1555.3","0.8","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2S,4R)-2-benzoyloxy-4-methoxy-5-(1-methylethyl)-6,8- dioxabicyclo[3.2.1]octane","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","TA1065","Gainsford, G. J.; Tyler, P. C.; Furneaux, R. H.","(1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-5-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane and (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-2-methyl-6,8-dioxabicyclo[3.2.1]octane","Acta Crystallographica Section C","1996","52","5","1274","1277","10.1107/S0108270195015964","","","0.71069","MoKα","","0.0688","0.0524","","0.1316","0.1231","","","","1.041","1.11","1.11","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004931","5.934","0.003","6.907","0.003","32.751","0.018","90","","90","","90","","1342.3","1.2","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,6-anhydro-4-O-benzyl-3-deoxy-4-C-methyl-2-O-methyl-β-D-ribo-hexopyranose","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","TA1065","Gainsford, G. J.; Tyler, P. C.; Furneaux, R. H.","(1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-5-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane and (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-2-methyl-6,8-dioxabicyclo[3.2.1]octane","Acta Crystallographica Section C","1996","52","5","1274","1277","10.1107/S0108270195015964","","","0.71069","MoKα","","0.0969","0.0585","","0.1374","0.1131","","","","0.983","1.094","1.094","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004932","8.978","0.002","8.689","0.002","10.702","0.002","90","","106.98","0.03","90","","798.5","0.3","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N2 O4 -","- C14 H24 N2 O4 -","- C28 H48 N4 O8 -","2","0.5","VJ1033","Zhang, S.-W.; Liu, Q.; Wei, Y. G.; Shao, M.-C.","Anti-Cancer Agents. I. <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraacetylhexamethylenediamine","Acta Crystallographica Section C","1996","52","5","1238","1239","10.1107/S0108270195014892","","","0.71073","MoKα","","","0.0563","","","0.0534","","","","","0.5","0.5","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004933","31.208","0.002","8.7588","0.0004","10.9435","0.0011","90","","101.706","0.003","90","","2929.1","0.4","298","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 O2 -","- C17 H24 O2 -","- C136 H192 O16 -","8","1","CF1040","Harmata, M.; Elomari, S.; Barnes, C. L.","(±)-(3a<i>R</i>*,6<i>S</i>*,7<i>S</i>*,14a<i>R</i>*)-2,3,3a,7,8,9,10,11,12,13,14,14a-Dodecahydro-1<i>H</i>,6<i>H</i>-3a,6-epoxy-7,14a-methanocyclopentacyclotridecen-15-one","Acta Crystallographica Section C","1996","52","5","1209","1211","10.1107/S0108270195015782","","","1.54184","CuKα","","","0.054","","","0.09","","","","","3.18","3.18","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004934","7.701","0.002","40.02","0.005","4.6437","0.0006","90","","107.34","0.01","90","","1366.1","0.4","123","","123","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H28 Cl N O -","- C11 H28 Cl N O -","- C44 H112 Cl4 N4 O4 -","4","1","CF1038","Silver, J.; Martin, S.; Marsh, P. J.; Frampton, C. S.","<i>n</i>-Undecylammonium Chloride Monohydrate","Acta Crystallographica Section C","1996","52","5","1261","1263","10.1107/S0108270195015770","","","0.7107","MoKα","","","0.0293","","","0.0324","","","","","1.67","1.67","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004935","7.802","0.003","12.138","0.002","14.748","0.002","95.77","0.01","99.33","0.02","104.28","0.02","1321.1","0.6","293","","293","","","","","","","","","4","P -1","-P 1","2","(Me~3~TTF)~2~C(OH)Me","[1,1'-bis(3',4,4'-trimethyl-tetrathiafulvalen-3-yl)] hemi-ethanol solvate","","- C21 H25 O1.5 S8 -","- C22 H22 O2 S8 -","- C44 H44 O4 S16 -","2","1","AB1303","Dolbecq, A.; Fourmigué, M.; Batail, P.","1,1-Bis(3',4,4'-trimethyltetrathiafulvalen-3-yl)ethanol Ethanol Hemisolvate; a New Bifunctional π-Donor Molecule","Acta Crystallographica Section C","1996","52","6","1543","1545","10.1107/S0108270196000509","","","0.71073","MoKα","","0.094","0.053","","0.081","0.057","","","","1.527","1.373","1.373","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004936","9.692","0.003","13.232","0.004","29.968","0.007","90","","91.31","0.03","90","","3842.2","1.9","178","2","178","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","(Z)-2,3-Bis-4'-[2.2.2]paracyclophanyl-but-2-ene","","- C52 H52 -","- C52 H52 -","- C208 H208 -","4","1","AB1325","Jones, P. G.; Bubenitschek, P.; Heirtzler, F.; Hopf, H.","(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene and μ-η6:η6-[(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene]-bis[(hexafluoroantimonato-<i>F</i>)silver(I)] Toluene Dichloromethane (1/1/1)","Acta Crystallographica Section C","1996","52","6","1380","1384","10.1107/S0108270195017008","","","0.71073","MoKα","","0.1151","0.0693","","0.1957","0.1506","","","","1.069","1.075","1.075","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004937","17.288","0.003","12.159","0.002","27.527","0.004","90","","97.06","0.02","90","","5742.4","1.6","163","2","163","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{(Z)-2,3-Bis-4'-[2.2.2]paracyclophanyl-but-2-ene}-bis{silver(I) hexafluoroantimonate toluene dichloromethane (1:1:1)","","- C60 H62 Ag2 Cl2 F12 Sb2 -","- C60 H59 Ag2 Cl2 F12 Sb2 -","- C240 H236 Ag8 Cl8 F48 Sb8 -","4","0.5","AB1325","Jones, P. G.; Bubenitschek, P.; Heirtzler, F.; Hopf, H.","(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene and μ-η6:η6-[(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene]-bis[(hexafluoroantimonato-<i>F</i>)silver(I)] Toluene Dichloromethane (1/1/1)","Acta Crystallographica Section C","1996","52","6","1380","1384","10.1107/S0108270195017008","","","0.71073","MoKα","","0.0523","0.0429","","0.1131","0.0994","","","","1.052","1.046","1.046","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004938","14.8208","0.0012","8.1939","0.0004","17.4844","0.0009","90","","91.185","0.004","90","","2122.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N-dibenzoyl-2-phenylbenzylamine","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C108 H84 N4 O8 -","4","1","AB1326","Blake, A. J.; Cullen, K. E.; Sharp, J. T.","<i>N</i>,<i>N</i>-Dibenzoyl-2-phenylbenzylamine","Acta Crystallographica Section C","1996","52","6","1546","1548","10.1107/S0108270195017033","","","0.71073","MoKα","","0.0558","0.0347","","0.1044","0.0936","","","","1.034","1.086","1.086","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004939","26.319","0.007","16.313","0.004","17.842","0.004","90","","90","","90","","7660","3","178","2","178","2","","","","","","","","2","F d d 2","F 2 -2d","43","","1,4-bis-4'-[2.2.2]Paracyclophanyl-buta-1,3-diyne","","- C52 H46 -","- C52 H46 -","- C416 H368 -","8","0.5","AB1332","Jones, P. G.; Heirtzler, F.; Hopf, H.","1,4-Bis(4'-[2.2.2]paracyclophanyl)buta-1,3-diyne and its Bis[silver(I) hexafluoroantimonate] Complex","Acta Crystallographica Section C","1996","52","6","1384","1388","10.1107/S0108270195016994","","","0.71073","MoKα","","0.0916","0.0411","","0.1182","0.0902","","","","0.989","1.016","1.016","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004940","13.662","0.005","11.267","0.005","18.225","0.007","90","","105.83","0.03","90","","2699","1.9","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{(1,4-bis-4'-[2.2.2]Paracyclophanyl-buta-1,3-diyne)bis(silver(I)} Bis-Hexafluoroantimonate Dichloromethane Solvate (1:2)","","- C54 H50 Ag2 Cl4 F12 Sb2 -","- C54 H50 Ag2 Cl4 F12 Sb2 -","- C108 H100 Ag4 Cl8 F24 Sb4 -","2","0.5","AB1332","Jones, P. G.; Heirtzler, F.; Hopf, H.","1,4-Bis(4'-[2.2.2]paracyclophanyl)buta-1,3-diyne and its Bis[silver(I) hexafluoroantimonate] Complex","Acta Crystallographica Section C","1996","52","6","1384","1388","10.1107/S0108270195016994","","","0.71073","MoKα","","0.1038","0.0662","","0.1824","0.1466","","","","1.044","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004941","9.781","0.002","10.597","0.002","20.216","0.004","101.49","0.03","93.85","0.03","109.53","0.03","1914.8","0.8","193","2","193","2","","","","","","","","4","P -1","-P 1","2","Tetrakis(diphenylamido)hafnium","Tetrakis(diphenylamido)hafnium","","- C48 H40 Hf N4 -","- C48 H40 Hf N4 -","- C96 H80 Hf2 N8 -","2","1","AB1336","Polamo, M.; Mutikainen, I.; Leskelä, M.","Tetrakis(diphenylamido-<i>N</i>)hafnium","Acta Crystallographica Section C","1996","52","6","1348","1350","10.1107/S0108270196001035","","","0.71073","MoKα","","0.032","0.0305","","0.0757","0.0741","","","","1.038","1.037","1.037","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004942","6.9936","0.0006","13.1255","0.0012","17.988","0.006","90","","90","","90","","1651.2","0.6","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diiodobis(phenylsulfonyl)methane","","- C13 H10 I2 O4 S2 -","- C13 H10 I2 O4 S2 -","- C52 H40 I8 O16 S8 -","4","1","AB1343","Glidewell, C.; Ferguson, G.; Nikas, S.; Varvoglis, A.","Accurate Redetermination of Diiodobis(phenylsulfonyl)methane, (PhSO~2~)~2~CI~2~","Acta Crystallographica Section C","1996","52","6","1488","1490","10.1107/S0108270195016647","","","0.7107","MolybdenumKα","","0.0964","0.0481","","0.1115","0.1001","","","","0.961","1.125","1.125","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004943","18.629","0.002","18.629","0.002","29.863","0.005","90","","90","","120","","8975","2","150","0.2","150","0.2","","","","","","","","7","R -3 :H","-R 3","148","","Tris(1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane)ruthenium(II) bis(hexafluorophosphate) dihydrate methanol solvate","","- C37 H80 F12 O15 P2 Ru S6 -","- C36.99 H79.94 F12 O14.98 P2 Ru S6 -","- C221.94 H479.64 F72 O89.88 P12 Ru6 S36 -","6","0.333333","AB1354","Blake, A. J.; Radek, C.; Schröder, M.","Tris(1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane-<i>S</i>,<i>S</i>')ruthenium(II) Bis(hexafluorophosphate)‒Water‒Methanol (1/2/1)","Acta Crystallographica Section C","1996","52","6","1401","1403","10.1107/S0108270196001497","","","0.71073","MoKα","","0.0453","0.0361","","0.1275","0.1002","","","","1.039","1.052","1.052","","","","","has coordinates","191017","2020-10-21","18:00:00",""
"2004944","7.386","0.001","11.81","0.001","17.197","0.002","90","","90","","90","","1500.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","p-N,N-Dimethylaminobenzaldehyde Isonicotinylhydrazone Monohydrate.","","- C15 H18 N4 O2 -","- C15 H18 N4 O2 -","- C60 H72 N16 O8 -","4","1","AS1221","Fun, H.-K.; Sivakumar, K.; Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.","<i>p</i>-(Dimethylamino)benzaldehyde Isonicotinoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","6","1505","1507","10.1107/S0108270196000303","","","0.71073","MoKα","","0.0536","0.0336","","0.0864","0.0789","","","","0.928","1.049","1.049","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004945","6.417","0.001","8.378","0.001","12.503","0.002","94.02","0.01","92.19","0.01","91.66","0.01","669.7","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","p-Nitrobenzaldehyde Nictonylhydrazone Monohydrate.","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C26 H24 N8 O8 -","2","1","AS1222","Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","<i>p</i>-Nitrobenzaldehyde Nicotinoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","6","1507","1509","10.1107/S0108270195016702","","","0.71073","MoKα","","0.0624","0.0486","","0.1599","0.1492","","","","1.108","1.22","1.22","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004946","11.6086","0.0015","7.7966","0.0009","15.2545","0.0014","90","","104.52","0.007","90","","1336.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 I N O2 S -","- C13 H12 I N O2 S -","- C52 H48 I4 N4 O8 S4 -","4","1","BK1198","Protasiewicz, J. D.","(Tosyliminoiodo)benzene at 298K","Acta Crystallographica Section C","1996","52","6","1570","1572","10.1107/S0108270195016659","","","0.71073","MoKα","","0.0385","0.028","","0.106","0.0598","","","","1.11","1.147","1.147","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004947","14.498","0.005","9.263","0.003","14.703","0.004","90","","103.16","0.02","90","","1922.7","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","DADLE HCl","[D-Ala^2^,D-Leu^5^]-enkephalin hydrochloride","","- C33 H48 Cl N5 O8 -","- C33 H47 Cl N5 O8 -","- C66 H94 Cl2 N10 O16 -","2","1","BK1199","Deschamps, J. R.; George, C.; Flippen-Anderson, J. L.","[ <small>D</small>-Ala^2^, <small>D</small>-Leu^5^]-Enkephalin Hydrochloride","Acta Crystallographica Section C","1996","52","6","1583","1585","10.1107/S0108270196000534","","","1.54178","CuKα","","0.1279","0.0811","","0.2138","0.1824","","","","1.094","1.236","1.236","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004948","6.752","0.001","12.44","0.001","16.251","0.001","90","","90","","90","","1365","0.2","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-isopipitzol","(1R,3R,6r,11R)-1,2,2,6,-tetramethyl-8-hydroxytriciclo[5.2.2.0^3,11^] undec-7-en-9,10-dione","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","BK1206","Hernández-Ortega, S.; Yuste, F.; Ortiz, B.; Barrios, H.; Sánchez-Obregón, R.; Walls, F.","β-Isopipitzol","Acta Crystallographica Section C","1996","52","6","1452","1454","10.1107/S0108270195015988","","","1.5418","CuKα","","0.0619","0.057","","0.0823","0.075","","","","","1.32","1.32","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004949","10.082","0.002","10.912","0.002","12.228","0.002","98.105","0.015","108.339","0.014","106.541","0.015","1184.1","0.4","130","2","","","","","","","","","","3","P -1","-P 1","2","","5,8-Bis(trimethylsilyl)-6,7-dihydroindeno[2,1c]fluorene","","- C26 H32 Si2 -","- C26 H32 Si2 -","- C52 H64 Si4 -","2","1","BK1209","Olmstead, M. M.; Hitchcock, S. R.; Nantz, M. H.","Cyclohexane-Linked Indenyl Rings in 5,8-Bis(trimethylsilyl)-6,7,12b,12c-tetrahydroindeno[2,1-<i>c</i>]fluorene","Acta Crystallographica Section C","1996","52","6","1523","1525","10.1107/S0108270196000054","","","0.71073","MoKα","","0.0708","0.052","","0.1357","0.1231","","","","1.034","1.071","1.071","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004950","14.963","0.006","6.093","0.003","12.228","0.005","90","","100.14","0.02","90","","1097.4","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(4aRS,4bSR,6RS,8aRS,8bSR) 6-methyl-3,4,4a,4b,5,6,7,8,8a,8b-decahydro- 2H-benzofuro[2,3,b]pyran","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","BM1023","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","New Routes to Pyranotetrahydrofuran Derivatives","Acta Crystallographica Section C","1996","52","6","1530","1532","10.1107/S0108270195014405","","","1.54178","CuKα","","0.0607","0.054","","0.1109","0.1064","","","","1.222","1.227","1.227","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004951","15.875","0.009","13.09","0.01","13.771","0.008","90","","90","","90","","2862","3","153","","153","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H11 N O3 S -","- C17 H11 N O3 S -","- C136 H88 N8 O24 S8 -","8","2","BM1049","Alves, J. A. C.; Brigas, A. F.; Johnstone, R. A. W.","3-(1-Naphthyloxy)-1,2-benzisothiazole 1,1-Dioxide: Electronic Effects of Conjugation","Acta Crystallographica Section C","1996","52","6","1576","1579","10.1107/S0108270196000935","","","0.7107","MoKα","","","0.0449","","","0.0491","","","","","1.586","1.586","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004952","7.204","0.001","11.752","0.002","15.057","0.001","103.14","0.01","98.37","0.01","92.45","0.01","1224.3","0.3","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Co N4 O20 -","- C14 H22 Co N4 O20 -","- C28 H44 Co2 N8 O40 -","2","1","BM1053","Tahir, M. N.; Ülkü, D.; Mövsümov, E. M.","Tetraaquabis(3,5-dinitrobenzoato-<i>O</i>)cobalt(II) Tetrahydrate","Acta Crystallographica Section C","1996","52","6","1392","1394","10.1107/S010827019600128X","","","0.71073","MoKα","","","0.036","","","0.042","","","","","1.27","1.27","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004953","13.702","0.002","12.498","0.002","7.894","0.001","90","","90","","90","","1351.8","0.3","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","Hexaiododisilane","Hexaiododisilane","","- I6 Si2 -","- I6 Si2 -","- I24 Si8 -","4","0.5","BR1117","Jansen, M.; Friede, B.","Hexaiododisilane","Acta Crystallographica Section C","1996","52","6","1333","1334","10.1107/S0108270196000820","","","0.71073","MoKα","","0.071","0.0608","","0.1712","0.165","","","","1.232","1.306","1.306","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004954","13.298","0.002","10.08","0.002","13.637","0.004","90","","92.39","0.02","90","","1826.4","0.7","292","","292","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr (ReO4)2 . 2H2O","","- H4 O10 Re2 Sr -","- H4 O10 Re2 Sr -","- H32 O80 Re16 Sr8 -","8","2","BR1122","Todorov, T.; Angelova, O.; Macícek, J.","The Covert Water in the Structure of Sr(ReO~4~)~2~.2H~2~O: a Revision of the Sesquihydrate Model","Acta Crystallographica Section C","1996","52","6","1319","1323","10.1107/S0108270195016362","","","0.71073","MoKα","","0.102","0.038","","0.191","0.05","","","","2.998","0.808","0.808","","","","","has coordinates","191094","2020-10-21","18:00:00",""
"2004955","4.024","0.003","4.024","0.003","5.113","0.004","90","","90","","120","","71.7","0.09","113","2","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pd Te2 -","- Pd Te2 -","- Pd Te2 -","1","0.0833333","BR1127","Pell, M. A.; Mironov, Y. V.; Ibers, J. A.","PdTe~2~","Acta Crystallographica Section C","1996","52","6","1331","1332","10.1107/S0108270195016246","","","0.7107","MoKα","","","0.0262","","","0.0648","","","","","1.325","1.325","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004956","4.555","0.002","4.555","","9.772","0.006","90","","90","","90","","202.75","0.15","293","","20","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Bi2 Ce Cu0.71 -","- Bi2 Ce Cu0.7055 -","- Bi4 Ce2 Cu1.411 -","2","0.125","BR1129","Ye, J.; Huang, Y. K.; Kadowaki, K.; Matsumoto, T.","A Novel Intermetallic Compound, CeCu~1{-~<i>x</i>}Bi~2~","Acta Crystallographica Section C","1996","52","6","1323","1325","10.1107/S0108270195016738","","","0.7107","MoKα","","","0.0483","","","0.0482","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004957","6.499","0.001","14.191","0.004","7.607","0.002","90","","93.95","0.02","90","","699.9","0.3","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As2 H4 Mg2 O9 -","- As2 H4 Mg2 O9 -","- As8 H16 Mg8 O36 -","4","1","BR1130","Wu, C.-H.; Chen, T.-C.; Wang, S.-L.","Two Hydrous Divalent-Metal Diarsenates","Acta Crystallographica Section C","1996","52","6","1326","1329","10.1107/S0108270195016350","","","","MoKα","","","0.0253","","","0.0278","","","","","0.997","0.997","","","","","has coordinates","278315","2022-10-03","11:11:45",""
"2004958","6.496","0.021","14.211","0.006","7.628","0.004","90","","93.91","0.04","90","","703","2","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As2 H4 O9 Zn2 -","- As2 O9 Zn2 -","- As8 O36 Zn8 -","4","1","BR1130","Wu, C.-H.; Chen, T.-C.; Wang, S.-L.","Two Hydrous Divalent-Metal Diarsenates","Acta Crystallographica Section C","1996","52","6","1326","1329","10.1107/S0108270195016350","","","","MoKα","","","0.059","","","0.0616","","","","","0.76","0.76","","","","","has coordinates","278318","2022-10-03","11:48:11",""
"2004959","7.429","0.002","13.906","0.009","9.157","0.002","90","","110.72","0.02","90","","884.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Potassium Molybdenyl Diarsenate","","- As2 K2 Mo O9 -","- As2 K2 Mo O9 -","- As8 K8 Mo4 O36 -","4","1","BR1131","Zid, M. F.; Jouini, T.","K~2~MoO~2~As~2~O~7~","Acta Crystallographica Section C","1996","52","6","1334","1336","10.1107/S0108270195016726","","","0.71069","MoKα","","0.0368","0.0247","","0.052","0.0494","","","","1.221","1.29","1.29","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004960","9.491","0.003","12.201","0.006","18.786","0.012","81.27","0.03","81.02","0.02","71.12","0.02","2021.2","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","barium decavanadate enneahydrate","","- Ba3 H6 O31 V10 -","- Ba3 O47 V10 -","- Ba6 O94 V20 -","2","1","BR1133","Kamenar, B.; Cindrić, M.; Strukan, N.","Ba~3~[V~10~O~28~].19H~2~O","Acta Crystallographica Section C","1996","52","6","1338","1341","10.1107/S0108270195017124","","","0.71069","MoKα","","0.081","0.0587","","0.1869","0.1557","","","","1.031","1.051","1.051","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004961","17.797","0.003","10.2594","0.0006","7.4438","0.0005","90","","98.44","0.01","90","","1344.4","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","p-nitrophenyl-α-D-mannopyranoside hemihydrate","","- C24 H32 N2 O17 -","- C24 H32 N2 O17 -","- C48 H64 N4 O34 -","2","1","CF1032","Fernandez-Castaño, C.; Foces-Foces, C.","<i>p</i>-Nitrophenyl α-<small>D</small>-Mannopyranoside Hemihydrate","Acta Crystallographica Section C","1996","52","6","1586","1588","10.1107/S0108270196000728","","","1.5418","CuKα","","0.069","0.069","","0.069","0.069","","","","1.017","1.017","1.017","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004962","6.7341","0.0006","19.76","0.002","8.1797","0.0015","90","","102.085","0.009","90","","1064.3","0.2","294","1","294","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,3-adamantanedicarboxylic acid","","- C12 H16 O4 -","- C12 H15.806 O4 -","- C48 H63.224 O16 -","4","1","CF1046","Glidewell, C.; Ferguson, G.","1,3-Adamantanedicarboxylic Acid and 1,3-Adamantanediacetic Acid","Acta Crystallographica Section C","1996","52","6","1466","1470","10.1107/S0108270195016593","","","0.7107","MoKα","","0.1444","0.0499","","0.1458","0.1233","","","","0.863","1.186","1.186","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004963","23.677","0.014","7.739","0.005","14.73","0.014","90","","110.23","0.05","90","","2533","3","294","1","294","1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","1,3-Adamantanediacetic acid","","- C14 H20 O4 -","- C14 H20 O4 -","- C112 H160 O32 -","8","2","CF1046","Glidewell, C.; Ferguson, G.","1,3-Adamantanedicarboxylic Acid and 1,3-Adamantanediacetic Acid","Acta Crystallographica Section C","1996","52","6","1466","1470","10.1107/S0108270195016593","","","0.7107","MoKα","","0.1517","0.0654","","0.186","0.1641","","","","0.967","1.327","1.327","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004964","9.548","0.007","11.924","0.011","12.714","0.01","90","","94.68","0.06","90","","1443","2","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 I2 Sn -","- C12 H10 I2 Sn -","- C48 H40 I8 Sn4 -","4","1","CF1048","Howie, R. A.; Wardell, J. L.","Diphenyltin Diiodide","Acta Crystallographica Section C","1996","52","6","1424","1426","10.1107/S0108270195016945","","","0.71073","MoKα","","","0.048","","","0.066","","","","","0.75","0.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004965","7.839","0.007","8.281","0.007","13.113","0.009","92.77","0.06","104.85","0.06","120.82","0.06","689.9","1.1","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 N2 O4 S3 -","- C12 H8 N2 O4 S3 -","- C24 H16 N4 O8 S6 -","2","1","CF1050","Howie, R. A.; Wardell, J. L.","Bis(2-nitrophenyl) Trisulfide","Acta Crystallographica Section C","1996","52","6","1533","1534","10.1107/S010827019600073X","","","0.71073","MoKα","","","0.049","","","0.042","","","","","1.45","1.45","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004966","6.884","0.001","8.809","0.002","12.17","0.002","90","","91.99","0.03","90","","737.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,6R,9S)-6-Benzamido-9-hydroxymethyl-8-oxabicyclo[4.3.0]non-3-en-7-one","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","CF1053","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A Lactone Derived from an Amino Acid with a Cyclohexyl Skeleton: (1<i>S</i>,6<i>R</i>,9<i>S</i>)-6-Benzamido-9-hydroxymethyl-8-oxabicyclo[4.3.0]non-3-en-7-one","Acta Crystallographica Section C","1996","52","6","1456","1458","10.1107/S0108270195016581","","","0.71073","MoKα","","0.0637","0.0396","","0.133","0.0908","","","","1.039","1.077","1.077","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004967","10.359","0.002","12.218","0.002","13.53","0.003","90","","110.64","0.03","90","","1602.5","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Flurtamone","Flurtamone, 5-methylamino-2-phenyl-4 (a,a,a,-trifluoro-m-tolyl) furan-3(2H)-one.","","- C18 H14 F3 N O2 -","- C18 H14 F3 N O2 -","- C72 H56 F12 N4 O8 -","4","1","CF1058","Pèpe, G.; Pfefer, G.; Astier, J. P.; Marchal, P.; Bossy, A.","Flurtamone","Acta Crystallographica Section C","1996","52","6","1514","1516","10.1107/S0108270196000868","","","1.5418","CuKα","","0.056","0.056","","0.056","0.056","","","","0.78","0.78","0.78","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004968","3.841","0.001","27.234","0.003","7.3616","0.0008","90","","102.09","0.014","90","","753","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","potassium phthalimide","","","- C8 H4 K N O2 -","- C8 H4 K N O2 -","- C32 H16 K4 N4 O8 -","4","1","CF1066","Nagel, N.; Bock, H.; Bats, J. W.","Potassium Phthalimide","Acta Crystallographica Section C","1996","52","6","1344","1346","10.1107/S0108270196002387","","","1.5418","CuKα","","0.038","0.0323","","0.1007","0.0894","","","","1.092","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004969","9.803","0.002","10.467","0.003","23.386","0.004","90","","95.69","0.01","90","","2387.8","0.9","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 O3 P S -","- C28 H21 O3 P S -","- C112 H84 O12 P4 S4 -","4","1","DE1007","Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.","8-(4-Methylphenoxy)-16<i>H</i>-dinaphtho[2,1-<i>d</i>:1',2'-<i>g</i>][1,3,2]dioxaphosphocine 8-sulfide","Acta Crystallographica Section C","1996","52","6","1556","1558","10.1107/S0108270195015538","","","0.71073","MoKα","","","0.042","","","0.051","","","","","1.35","1.35","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004970","7.63","0.001","35.156","0.005","8.505","0.001","90","","90","","90","","2281.4","0.5","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C96 H112 N16 O32 -","8","1","DE1008","Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Thappa, R. K.; Agarwal, S. G.","7-Methoxyvasicinone Hydrate","Acta Crystallographica Section C","1996","52","6","1491","1493","10.1107/S0108270195010870","","","0.71073","MoKα","","","0.049","","","0.149","","","","","0.703","0.703","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004971","10.683","0.002","16.996","0.005","18.77","0.003","90","","90","","90","","3408","1.3","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C152 H200 N8 O16 -","8","1","DE1018","Thiruvalluvar, A.; Parthasarathi, V.; Natarajan, D.; Bhavani, N.; Bhadbhade, M.","<i>N</i>-Acetyl-3-ethyl-2-phenyldecahydroquinolin-4-one, C~19~H~25~NO~2~","Acta Crystallographica Section C","1996","52","6","1563","1565","10.1107/S0108270195015149","","","1.54184","CuKα","","","0.045","","","0.053","","","","","1.57","1.57","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004972","21.04","0.002","7.936","0.002","20.444","0.002","90","","116.44","0.01","90","","3056.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Spermine dilithium cyclohexaphosphate tetrahydrate","4,9,12-triazoniadoceylammonium Dilithiumcyclohexaphosphate Tetrahydrate","","- C10 H38 Li2 N4 O22 P6 -","- C10 H38 Li2 N4 O22 P6 -","- C40 H152 Li8 N16 O88 P24 -","4","0.5","DU1143","Gharbi, A.; Jouini, A.","4,9-Diazonia-1,12-dodecanediammonium Dilithium <i>cyclo</i>-Hexaphosphate Tetrahydrate","Acta Crystallographica Section C","1996","52","6","1342","1344","10.1107/S0108270196000558","","","0.71069","MoKα","","0.0479","0.0326","","0.1092","0.0948","","","","0.906","0.881","0.881","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004973","9.531","0.001","12.12","0.001","14.327","0.002","64.34","0.02","70.61","0.01","82.9","0.01","1406.8","0.4","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H13 Ce N6 O20 -","- C42 H26 Ce2 N12 O40 -","- C42 H26 Ce2 N12 O40 -","1","0.5","FG1076","Tahir, M. N.; Ülkü, D.; Ünaleroglu, C.; Mövsümov, E. M.","Cerium 3,5-Dinitrobenzoate Dihydrate","Acta Crystallographica Section C","1996","52","6","1449","1451","10.1107/S010827019600011X","","","0.71073","MoKα","","","0.044","","","0.044","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004974","11.598","0.001","14.526","0.001","10.612","0.001","90","","111.5","0.01","90","","1663.4","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C68 H64 N8 O24 -","4","1","FG1105","Rowan, K. R.; Holt, E. M.","Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","6","1565","1570","10.1107/S0108270196000091","","","0.71073","MoKα","","0.0641","0.0471","","0.0699","0.0648","","","","","1.53","1.53","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004975","14.328","0.004","15.292","0.003","8.673","0.002","90","","90","","90","","1900.3","0.8","298","","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate","","- C19 H22 N2 O6 -","- C19 H22 N2 O6 -","- C76 H88 N8 O24 -","4","1","FG1105","Rowan, K. R.; Holt, E. M.","Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","6","1565","1570","10.1107/S0108270196000091","","","0.71073","MoKα","","0.1097","0.0482","","0.0745","0.0537","","","","","1.16","1.16","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004976","12.018","0.001","19.517","0.002","8.606","0.001","90","","109.92","0.01","90","","1897.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diethyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate","","- C19 H20 N2 O6 -","- C19 H21 N2 O6 -","- C76 H84 N8 O24 -","4","1","FG1105","Rowan, K. R.; Holt, E. M.","Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","6","1565","1570","10.1107/S0108270196000091","","","0.71073","MoKα","","0.1452","0.0587","","0.1605","0.1064","","","","0.984","1.134","1.134","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004977","14.021","0.002","15.613","0.002","15.43","0.002","116.34","0.01","124.84","0.01","75.36","0.01","2484.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[NBDRh(II-phophos)~2~](BF~4~)~3~","Bis{2-(diphenylphosphinoethyl)trimethylphosphonium}(norbornadiene)rhodium(I) Fluoroborate","","- C43 H58 B3 F12 P4 Rh -","- C43 H58 B3 F12.003 P4 Rh -","- C86 H116 B6 F24.006 P8 Rh2 -","2","1","FG1107","Roszak, A. W.; Renaud, E.; Baird, M. C.","Bis{[3-(diphenylphosphino)propyl]trimethylphosphonium-<i>P</i>}[(2,3,5,6-η)-norbornadiene]rhodium(I) Tris(tetrafluoroborate)","Acta Crystallographica Section C","1996","52","6","1359","1362","10.1107/S0108270195017069","","","0.71069","MoKα","","0.0962","0.0495","","0.1591","0.1228","","","","1.112","1.155","1.155","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2004978","23.144","0.003","4.036","0.001","20.956","0.003","90","","103.89","0.01","90","","1900.2","0.6","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C9 H4 S4 -","- C9 H4 S4 -","- C72 H32 S32 -","8","1","FG1109","Parvez, M.; Mesher, S. T. E.; Clark, P. D.","[1,3]Dithiolo[4,5-<i>b</i>][1]benzothiophene-2-thione","Acta Crystallographica Section C","1996","52","6","1503","1505","10.1107/S0108270195016532","","","0.71069","MoKα","","","0.0562","","","0.0569","","","","","2.856","2.856","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004979","12.2102","0.0008","31.464","0.002","8.368","0.002","90","","90","","90","","3214.8","0.8","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 N4 O4 -","- C31 H48 N4 O5 -","- C124 H192 N16 O20 -","4","1","FG1120","Coleman, J. E.; Patrick, B. O.; Andersen, R. J.; Rettig, S. J.","Hemiasterlin Methyl Ester","Acta Crystallographica Section C","1996","52","6","1525","1527","10.1107/S0108270195016556","","","1.5418","CuKα","","","0.0391","","","0.0375","","","","","2.207","2.207","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004980","3.756","0.001","14.191","0.001","10.911","0.001","90","","99.18","0.01","90","","574.12","0.17","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-aminopyrazine-2-carboxylic acid","","","- C5 H5 N3 O2 -","- C5 H5 N3 O2 -","- C20 H20 N12 O8 -","4","1","FG1125","A. J. Dobson; R. E. Gerkin","3-Aminopyrazine-2-carboxylic Acid","Acta Crystallographica Section C","1996","52","6","1512","1514","10.1107/S0108270195016416","","","0.71073","MoKα","","","0.045","","","0.053","","","","","1.8","1.8","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004981","10.454","0.002","5.507","0.002","18","0.002","90","","99.9","0.01","90","","1020.8","0.4","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Alpha-fluorene-4-carboxylic acid","","","- C14 H10 O2 -","- C14 H10 O2 -","- C56 H40 O8 -","4","1","FG1130","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Two <i>P</i>2~1~/<i>n</i> Monoclinic Phases of Fluorene-4-carboxylic Acid at 296K","Acta Crystallographica Section C","1996","52","6","1482","1486","10.1107/S0108270195016179","","","0.71073","MoKα","","","0.048","","","0.037","","","","","1.9","1.9","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004982","9.308","0.002","12.464","0.002","17.833","0.002","90","","95.29","0.01","90","","2060.1","0.6","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Beta-fluorene-4-carboxylic acid","","","- C14 H10 O2 -","- C14 H10 O2 -","- C112 H80 O16 -","8","2","FG1130","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Two <i>P</i>2~1~/<i>n</i> Monoclinic Phases of Fluorene-4-carboxylic Acid at 296K","Acta Crystallographica Section C","1996","52","6","1482","1486","10.1107/S0108270195016179","","","0.71073","MoKα","","","0.045","","","0.047","","","","","1.5","1.5","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004983","12.129","0.001","11.116","0.001","9.716","0.001","90","","93.95","0.01","90","","1306.9","0.2","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(Author's name) catena-Poly[(μ2-O,μ-N'(di-2-pyridyl ketone)-N,O)μ2-O,μ-N(di-2- pyridyl ketone)-N',O]silver(I) tetrafluoroborate","","- C11 H8 Ag B F4 N2 O -","- C11 H8 Ag B F8 N2 O -","- C44 H32 Ag4 B4 F32 N8 O4 -","4","0.5","FG1132","Sommerer, S. O.; Westcott, B. L.; Jircitano, A. J.; Abboud, K. A.","<i>catena</i>-Poly[silver-μ-(di-2-pyridyl ketone)-<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>] Tetrafluoroborate","Acta Crystallographica Section C","1996","52","6","1426","1428","10.1107/S0108270196001503","","","0.71073","MoKα","","0.0598","0.0456","","0.0671","0.0584","","","","","2.06","2.06","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004984","16.139","0.001","5.117","0.001","26.887","0.002","90","","90","","90","","2220.4","0.5","296","","296","","","","","","","","","3","P n a 21","P 2c -2n","33","Xanthene-9-carboxylic acid","","","- C14 H10 O3 -","- C14 H10 O3 -","- C112 H80 O24 -","8","2","FG1134","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Xanthene-9-carboxylic Acid","Acta Crystallographica Section C","1996","52","6","1486","1488","10.1107/S0108270195016167","","","0.71073","MoKα","","","0.058","","","0.046","","","","","1.32","1.32","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004985","3.809","0.001","19.911","0.002","13.206","0.002","90","","91.28","0.01","90","","1001.3","0.3","296","1","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 O3 -","- C14 H8 O3 -","- C56 H32 O12 -","4","1","FG1139","Coté, M. L.; Lalancette, R. A.; Thompson, H. W.","1-Carboxyfluorenone: an Intramolecularly Hydrogen-Bonded γ-Keto Acid","Acta Crystallographica Section C","1996","52","6","1535","1537","10.1107/S0108270195016155","","","0.71073","MoKα","","0.129","0.047","","0.117","0.091","","","","0.75","1.02","1.02","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004986","8.031","0.002","10.583","0.002","14.655","0.004","90","","96.25","0.03","90","","1238.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Pt(MeIm)~4~](ClO~4~)~2~","Tetrakis(1-methylimidazole)platinum(II) Perchlorate","","- C16 H24 Cl2 N8 O8 Pt -","- C16 H24 Cl2 N8 O8 Pt -","- C32 H48 Cl4 N16 O16 Pt2 -","2","0.5","FG1141","Roszak, A. W.; Clement, O.; Buncel, E.","A Monoclinic Form of Tetrakis(1-methylimidazole-<i>N</i>^3^)platinum(II) Diperchlorate","Acta Crystallographica Section C","1996","52","6","1362","1365","10.1107/S0108270196000984","","","0.71069","MoKα","","0.058","0.0313","","0.0995","0.0847","","","","1.052","1.14","1.14","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004987","12.214","0.003","3.0371","0.0009","5.7981","0.0009","90","","103.83","0.02","90","","208.85","0.09","273.2","","273","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Ga2 O3 -","- Ga2 O3 -","- Ga8 O12 -","4","0.5","FG1144","Åhman, J.; Svensson, G.; Albertsson, J.","A Reinvestigation of β-Gallium Oxide","Acta Crystallographica Section C","1996","52","6","1336","1338","10.1107/S0108270195016404","","","0.7107","MoKα","","","0.022","","","0.032","","","","","1.08","1.08","","","","","has coordinates","303130","2025-11-01","10:28:40",""
"2004988","14.204","0.002","16.381","0.003","11.878","0.002","96.13","0.01","92.42","0.01","64.94","0.01","2489.2","0.7","294.2","","294.2","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl3.86 O0.14 P2 Re -","- C36 H30 Cl4 O0.666667 P2 Re -","- C108 H90 Cl12 O2 P6 Re3 -","3","1.5","FG1149","Luo, H.; Orvig, C.; Rettig, S. J.","<i>trans</i>-Tetrachlorobis(triphenylphosphine-<i>P</i>)rhenium(IV)‒<i>mer</i>-<i>trans</i>-Trichlorooxobis(triphenylphosphine-<i>P</i>)rhenium(V) (0.86/0.14)","Acta Crystallographica Section C","1996","52","6","1377","1380","10.1107/S0108270196001710","","","0.71069","MoKα","","","0.032","","","0.025","","","","","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004989","11.105","0.002","8.978","0.002","17.219","0.001","90","","90.13","0.01","90","","1716.7","0.5","296","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H20 Cl N3 -","- C19 H20 Cl N3 -","- C76 H80 Cl4 N12 -","4","1","FG1153","Parvez, M.; Sabir, A. P.","Clemizole","Acta Crystallographica Section C","1996","52","6","1572","1574","10.1107/S0108270196000819","","","0.71069","MoKα","","","0.0473","","","0.0472","","","","","2.825","2.825","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004990","9.45","0.002","12.383","0.003","14.453","0.002","90","","90","","90","","1691.3","0.6","294.2","","294.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H26 O2 Si W -","- C14 H26 O2 Si W -","- C56 H104 O8 Si4 W4 -","4","0.5","FG1161","Legzdins, P.; Rettig, S. J.; Sayers, S. F.","Dioxo(η^5^-pentamethylcyclopentadienyl)(trimethylsilylmethyl)tungsten(VI)","Acta Crystallographica Section C","1996","52","6","1355","1357","10.1107/S0108270196001217","","","0.71069","MoKα","","0.0962","0.0284","","0.0313","0.0257","","","","","1.267","1.267","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004991","8.744","0.002","11.087","0.002","14.511","0.003","106.16","0.02","102.98","0.02","75.31","0.02","1288.9","0.5","295","","295","","","","","","","","","4","P -1","-P 1","2","","2-(4-nitrophenyl)-6[4-(6-acrylyloxy-hexyloxy)-benzoyloxy]benzoxazole","","- C29 H26 N2 O8 -","- C29 H26 N2 O8 -","- C58 H52 N4 O16 -","2","1","HA1148","Centore, R.; Ciajolo, M. R.; Tuzi, A.","Two Mesogenic Nitrobenzoxazoles","Acta Crystallographica Section C","1996","52","6","1499","1503","10.1107/S0108270195014314","","","1.54178","CuKα","","0.1","0.049","","","0.064","","","","","1.758","1.758","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004992","11.477","0.001","15.123","0.002","17.242","0.002","105.78","0.01","99.22","0.01","107.83","0.01","2642.9","0.6","295","","295","","","","","","","","","4","P -1","-P 1","2","","2-[4-(6-acrylyloxy-hexyloxy)-benzoyloxy]phenyl-6-nitrobenzoxazole","","- C29 H26 N2 O8 -","- C29 H26 N2 O8 -","- C116 H104 N8 O32 -","4","2","HA1148","Centore, R.; Ciajolo, M. R.; Tuzi, A.","Two Mesogenic Nitrobenzoxazoles","Acta Crystallographica Section C","1996","52","6","1499","1503","10.1107/S0108270195014314","","","1.54178","CuKα","","0.211","0.069","","","0.093","","","","","2.505","2.505","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004993","7.392","0.001","9.888","0.002","10.814","0.002","90","","99.59","0.03","90","","779.4","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-nitroacetophenone","1-(3-nitrophenyl)-ethanone","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C32 H28 N4 O12 -","4","1","HA1154","Feeder, N.; Jones, W.; Chorlton, A. P.; Docherty, R.","3-Nitroacetophenone","Acta Crystallographica Section C","1996","52","6","1454","1456","10.1107/S0108270195015939","","","0.71073","MoKα","","0.2084","0.0613","","0.2315","0.1592","","","","1.003","1.207","1.207","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2004994","7.022","0.002","9.532","0.002","15.811","0.009","90","","99.03","0.03","90","","1045.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-phthalimidoperpropanoic acid","1,3-dihydro-1,3-dioxo-2H-isoindole-2-propaneperoxoic acid","","- C11 H9 N O5 -","- C11 H8 N O5 -","- C44 H32 N4 O20 -","4","1","HA1155","Feeder, N.; Jones, W.","Four ω-Phthalimidoaliphatic Peracids","Acta Crystallographica Section C","1996","52","6","1516","1520","10.1107/S010827019501701X","","","0.71069","MoKα","","0.1976","0.0707","","0.2769","0.1978","","","","1.001","1.24","1.24","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004995","7.968","0.002","8.463","0.002","9.4295","0.001","85.473","0.01","113.31","0.02","105.37","0.02","562.8","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","4-phthalimidoperbutanoic acid","1,3-dihydro-1,3-dioxo-2H-isoindole-2-butaneperoxoic acid","","- C12 H11 N O5 -","- C12 H10 N O5 -","- C24 H20 N2 O10 -","2","1","HA1155","Feeder, N.; Jones, W.","Four ω-Phthalimidoaliphatic Peracids","Acta Crystallographica Section C","1996","52","6","1516","1520","10.1107/S010827019501701X","","","0.71069","MoKα","","0.0975","0.0439","","0.1378","0.1121","","","","1","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004996","6.7773","0.001","4.7222","0.001","19.935","0.004","90","","98.22","0.02","90","","631.4","0.2","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","5-phthalimidoperpentanoic acid","1,3-dihydro-1,3-dioxo-2H-isoindole-2-pentaneperoxoic acid","","- C13 H13 N O5 -","- C13 H12 N O5 -","- C26 H24 N2 O10 -","2","1","HA1155","Feeder, N.; Jones, W.","Four ω-Phthalimidoaliphatic Peracids","Acta Crystallographica Section C","1996","52","6","1516","1520","10.1107/S010827019501701X","","","0.71069","MoKα","","0.1621","0.0611","","0.202","0.1526","","","","1.014","1.144","1.144","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004997","19.028","0.005","4.5724","0.001","15.517","0.006","90","","90.16","0.03","90","","1350","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-phthalimidoperhexanoic acid","1,3-dihydro-1,3-dioxo-2H-isoindole-2-hexaneperoxoic acid","","- C14 H15 N O5 -","- C14 H14 N O5 -","- C56 H56 N4 O20 -","4","1","HA1155","Feeder, N.; Jones, W.","Four ω-Phthalimidoaliphatic Peracids","Acta Crystallographica Section C","1996","52","6","1516","1520","10.1107/S010827019501701X","","","0.71069","MoKα","","0.214","0.0497","","0.16","0.1055","","","","0.914","1.113","1.113","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004998","9.681","0.005","5.301","0.003","13.956","0.006","90","","96.16","0.04","90","","712.1","0.6","153","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-isoleucine","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","HA1156","Görbitz, Carl Henrik; Dalhus, Bjørn","L-Isoleucine, Redetermination at 120 K","Acta Crystallographica Section C","1996","52","6","1464","1466","10.1107/S0108270195016386","","","0.71069","MoKα","","0.0717","0.0524","","0.1316","0.1223","","","","1.009","1.065","1.065","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:26",""
"2004999","8.696","0.003","10.421","0.004","17.113","0.008","76.63","0.05","87.31","0.06","72.23","0.05","1436.3","1.1","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 N4 O4 P Rh -","- C30 H38 N4 O4 P Rh -","- C60 H76 N8 O8 P2 Rh2 -","2","1","HR1052","Kettmann, V.; Dunaj-Jurčo, M.; Steinborn, D.; Ludwig, M.","<i>tert</i>-Butylbis(dimethylglyoximato-<i>N</i>,<i>N</i>')(triphenylphosphine-<i>P</i>)rhodium","Acta Crystallographica Section C","1996","52","6","1399","1401","10.1107/S0108270195010912","","","0.71073","MoKα","","","0.055","","","0.068","","","","","1.27","1.27","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2005000","7.442","0.003","10.255","0.005","16.128","0.008","90","","90.92","0.05","90","","1230.7","1","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C52 H56 N8 O12 S4 -","4","1","JZ1026","Kettmann, V.; Svetlik, J.","Methyl 9-Methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2,4,6-triene-13-carboxylate","Acta Crystallographica Section C","1996","52","6","1496","1499","10.1107/S0108270195008924","","","0.71073","MoKα","","","0.057","","","0.065","","","","","1.23","1.23","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005001","8.233","0.002","10.953","0.002","11.636","0.007","63.85","0.03","80.76","0.02","84.79","0.02","929.4","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 Cl6 Cu N4 S2 -","- C8 H12 Cl6 Cu N4 S2 -","- C16 H24 Cl12 Cu2 N8 S4 -","2","1","JZ1065","Fernández, V.; Doadrio, J. C.; García-Granda, S.; Pertierra, P.","Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K","Acta Crystallographica Section C","1996","52","6","1412","1415","10.1107/S010827019501225X","","","0.71073","MoKα","","0.0624","0.0426","","0.1324","0.1269","","","","1.126","1.247","1.247","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005002","8.168","0.002","10.919","0.004","11.437","0.008","64.24","0.05","80.03","0.03","84.72","0.03","904.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 Cl6 Cu N4 S2 -","- C8 H12 Cl6 Cu N4 S2 -","- C16 H24 Cl12 Cu2 N8 S4 -","2","1","JZ1065","Fernández, V.; Doadrio, J. C.; García-Granda, S.; Pertierra, P.","Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K","Acta Crystallographica Section C","1996","52","6","1412","1415","10.1107/S010827019501225X","","","0.71073","MoKα","","0.0355","0.0283","","0.0816","0.0797","","","","1.032","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005003","7.75","0.003","8.474","0.003","13.683","0.007","104.49","0.04","100.02","0.03","102.83","0.03","822.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Cl4 Cu N4 S2 -","- C8 H14 Cl4 Cu N4 S2 -","- C16 H28 Cl8 Cu2 N8 S4 -","2","1","JZ1065","Fernández, V.; Doadrio, J. C.; García-Granda, S.; Pertierra, P.","Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K","Acta Crystallographica Section C","1996","52","6","1412","1415","10.1107/S010827019501225X","","","0.71073","MoKα","","0.0404","0.0284","","0.0774","0.0758","","","","1.03","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005004","7.7451","0.0007","7.7451","0.0007","5.6351","0.0006","90","","90","","90","","338.03","0.06","295","2","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","","","- Bi7.5 O12 Y0.5 -","- Bi8 O12 -","- Bi8 O12 -","1","0.0625","JZ1066","Ducke, J.; Trömel, M.; Hohlwein, D.; Kizler, P.","Yttrium and Titanium Bismuthates with Structures Related to β-Bi~2~O~3~","Acta Crystallographica Section C","1996","52","6","1329","1331","10.1107/S0108270195011267","","neutron","1.2167","neutron","","","0.041","","","","","","","","","","","","","","has coordinates","209442","2020-10-21","18:00:00",""
"2005005","7.7069","0.0006","7.7069","0.0006","5.6735","0.0004","90","","90","","90","","336.98","0.04","295","2","","","","","","","","","","3","P 42/n m c","","","","","","- Bi7.68 O12.16 Ti0.32 -","- Bi8 O12.16 -","- Bi8 O12.16 -","1","","JZ1066","Ducke, J.; Trömel, M.; Hohlwein, D.; Kizler, P.","Yttrium and Titanium Bismuthates with Structures Related to β-Bi~2~O~3~","Acta Crystallographica Section C","1996","52","6","1329","1331","10.1107/S0108270195011267","","neutron","1.2167","neutron","","","0.043","","","","","","","","","","","","","","has coordinates","208743","2020-10-21","18:00:00",""
"2005006","10.456","0.002","12.237","0.002","9.531","0.001","90","","111","0.01","90","","1138.5","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2R^*^,4S^*^,6S^*^)-4-chloro-4-methyl-8-oxo-1-azabicyclo[4.2.0]octane -2-carboxylic acid methyl ester","","- C10 H14 Cl N O3 -","- C10 H14 Cl N O3 -","- C40 H56 Cl4 N4 O12 -","4","1","JZ1068","De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H.","One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds","Acta Crystallographica Section C","1996","52","6","1473","1479","10.1107/S0108270195014788","","","0.71069","MoKα","","0.049","0.049","","0.049","0.049","","","","0.87","0.87","0.87","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005007","9.732","0.002","13.903","0.003","9.116","0.002","90","","99.99","0.01","90","","1214.7","0.5","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(5R^*^,7S^*^,9S^*^)-7-chloro-7-methyl-3-oxo-octahydro-indolizidine-5- carboxylic acid methyl ester","","- C11 H16 Cl N O3 -","- C11 H16 Cl N O3 -","- C44 H64 Cl4 N4 O12 -","4","1","JZ1068","De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H.","One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds","Acta Crystallographica Section C","1996","52","6","1473","1479","10.1107/S0108270195014788","","","0.71069","MoKα","","0.048","0.048","","0.047","0.047","","","","0.783","0.783","0.783","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005008","10.5793","0.0005","13.524","0.0008","10.4365","0.0006","90","","118.305","0.005","90","","1314.66","0.14","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(5R^*^,6S^*^,10R^*^)-3oxo-6-vinyl-oactahydro-pyrrolo[1,2-a]azepine-5- carboxylic acid methyl ester","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","JZ1068","De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H.","One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds","Acta Crystallographica Section C","1996","52","6","1473","1479","10.1107/S0108270195014788","","","1.5418","CuKα","","0.047","0.047","","0.042","0.042","","","","0.643","0.643","0.643","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005009","7.418","0.001","10.814","0.002","14.039","0.002","105.4","0.01","90.26","0.01","109.97","0.01","1014.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Mer-(2'-benzoylisopropylidene-1-naphthohydrazido)-methanol-cis-dioxo- molybdenum(VI)","","- C22 H20 Mo N2 O5 -","- C22 H20 Mo N2 O5 -","- C44 H40 Mo2 N4 O10 -","2","1","JZ1096","Prelesnik, B.; Ivanovic, I.; Leovac, V. M.; Andjelkovic, K.","<i>mer</i>-[2'-(2-Benzoyl-1-methylethylidene)-1-naphthohydrazido(2–)](methanol)-<i>cis</i>-dioxo-molybdenum(VI)","Acta Crystallographica Section C","1996","52","6","1375","1377","10.1107/S010827019600039X","","","0.71069","MoKα","","","0.03","","","0.035","","","","","0.88","0.88","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005010","11.533","0.003","20.585","0.006","12.217","0.002","90","","97.2","0.02","90","","2877.5","1.2","213","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H102 Li4 O2 P4 -","- C46 H102 Li4 O2 P4 -","- C92 H204 Li8 O4 P8 -","2","0.5","JZ1099","Rabe, G. W.; Riede, J.; Schier, A.","[Li~2~(μ~3~-^<i>t^</i>Bu~2~ P)(μ~2~-^<i>t^</i>Bu~2~P)(thf)]~2~: a Redetermination","Acta Crystallographica Section C","1996","52","6","1350","1352","10.1107/S0108270195017094","","","0.71073","MoKα","","","0.0552","","","0.1216","","","","","1.004","1.004","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005011","6.086","0.001","11.99","0.001","23.831","0.002","90","","90","","90","","1739","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3β-hydroxy-20methyl-pregn-5,14-dien-16-on(18–20) lactone","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","JZ1101","Luger, P.; Weber, M.; Dung, N. X.; Ky, P. T.; The, C. L.","The New Pentacyclic Saponine Ecdysantherin [3β-Hydroxy-20-methylpregn-5,14-dien-16-one-(18–20)-lactone] from <i>Ecdysanthera rosea Hook</i>. <i>et Arn</i>. (<i>Apocynaceae</i>) of Vietnam","Acta Crystallographica Section C","1996","52","6","1574","1576","10.1107/S0108270195017045","","","1.5418","CuKα,Nifilter","","0.0909","0.0436","","0.1323","0.1081","","","","1.052","1.103","1.103","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005012","10.166","0.001","12.206","0.001","20.873","0.002","90","","102.2","0.01","90","","2531.6","0.4","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-Dicyclohexyl-2,4-bis(cyclohexylimino)1,3-diazetidine","","- C26 H44 N4 -","- C26 H44 N4 -","- C104 H176 N16 -","4","1","JZ1103","Goj, O.; Haufe, G.; Fröhlich, R.","1,3-Dicyclohexyl-2,4-bis(cyclohexylimino)-1,3-diazetidine: Dimer of Dicyclohexylcarbodiimide","Acta Crystallographica Section C","1996","52","6","1554","1556","10.1107/S0108270196000522","","","1.54178","CuKα","","0.0634","0.0505","","0.1557","0.1509","","","","1.057","1.154","1.154","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005013","6.73","0.003","12.887","0.003","8.274","0.002","90","","107.26","0.02","90","","685.3","0.4","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cu N2 O8 -","- C14 H8 Cu N2 O8 -","- C28 H16 Cu2 N4 O16 -","2","0.5","JZ1106","Suga, T.; Okabe, N.","Bis(pyridine-2,3-dicarboxylato-<i>N</i>,<i>O</i>)copper(II)","Acta Crystallographica Section C","1996","52","6","1410","1412","10.1107/S0108270196001126","","","0.71069","MoKα","","","0.041","","","0.051","","","","","1.56","1.56","","","","","has coordinates","198397","2020-10-21","18:00:00",""
"2005014","11.871","0.002","11.586","0.003","5.707","0.002","90","","98.75","0.02","90","","775.8","0.4","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl2 Cr2 N2 O6 -","- C10 H10 Cl2 Cr2 N2 O6 -","- C20 H20 Cl4 Cr4 N4 O12 -","2","0.5","KA1153","Lorenzo Luis, P. A.; Martin-Zarza, P.; Gili, P.; Ruiz-Pérez, C.; Hernández-Molina, M.; Solans, X.","Five New Chlorochromates of Organic Bases","Acta Crystallographica Section C","1996","52","6","1441","1448","10.1107/S0108270196000637","","","0.71073","MoKα","","","0.052","","","0.058","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005015","9.685","0.002","11.679","0.002","11.022","0.002","90","","112.28","0.03","90","","1153.6","0.4","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl Cr N O3 -","- C10 H10 Cl Cr N O3 -","- C40 H40 Cl4 Cr4 N4 O12 -","4","1","KA1153","Lorenzo Luis, P. A.; Martin-Zarza, P.; Gili, P.; Ruiz-Pérez, C.; Hernández-Molina, M.; Solans, X.","Five New Chlorochromates of Organic Bases","Acta Crystallographica Section C","1996","52","6","1441","1448","10.1107/S0108270196000637","","","0.71073","MoKα","","","0.0708","","","0.1986","","","","","1.082","1.082","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005016","6.748","0.005","7.957","0.005","11.611","0.002","104.89","0.01","100.34","0.03","92.11","0.03","590.5","0.6","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl Cr N O3 -","- C10 H10 Cl Cr N O3 -","- C20 H20 Cl2 Cr2 N2 O6 -","2","1","KA1153","Lorenzo Luis, P. A.; Martin-Zarza, P.; Gili, P.; Ruiz-Pérez, C.; Hernández-Molina, M.; Solans, X.","Five New Chlorochromates of Organic Bases","Acta Crystallographica Section C","1996","52","6","1441","1448","10.1107/S0108270196000637","","","0.71073","MoKα","","","0.0601","","","0.1578","","","","","1.341","1.341","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005017","12.157","0.002","12.265","0.003","6.316","0.002","90","","114.5","0.03","90","","857","0.4","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H10 Cl2 Cr N2 O3 -","- C2 H10 Cl2 Cr N2 O3 -","- C8 H40 Cl8 Cr4 N8 O12 -","4","1","KA1153","Lorenzo Luis, P. A.; Martin-Zarza, P.; Gili, P.; Ruiz-Pérez, C.; Hernández-Molina, M.; Solans, X.","Five New Chlorochromates of Organic Bases","Acta Crystallographica Section C","1996","52","6","1441","1448","10.1107/S0108270196000637","","","0.71073","MoKα","","","0.07","","","0.086","","","","","1.138","1.138","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005018","6.396","0.002","10.915","0.005","19.192","0.005","90","","92.83","0.03","90","","1338.2","0.8","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Cl2 Cr N3 O3 -","- C10 H7 Cl2 Cr N3 O3 -","- C40 H28 Cl8 Cr4 N12 O12 -","4","1","KA1153","Lorenzo Luis, P. A.; Martin-Zarza, P.; Gili, P.; Ruiz-Pérez, C.; Hernández-Molina, M.; Solans, X.","Five New Chlorochromates of Organic Bases","Acta Crystallographica Section C","1996","52","6","1441","1448","10.1107/S0108270196000637","","","0.71073","MoKα","","","0.056","","","0.073","","","","","1.164","1.164","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005019","11.194","0.002","10.492","0.002","6.976","0.002","94.62","0.02","97.78","0.02","102.54","0.02","787.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","sodium [1,3-propanodiylbis(oximato)cupprate(II)] hexahydrate","","- C7 H18 Cu N2 Na2 O12 -","- C7 H18 Cu N2 Na2 O12 -","- C14 H36 Cu2 N4 Na4 O24 -","2","1","KA1157","Rodríguez-Romero, F. V.; Ruiz-Pérez, C.; Solans, X.","Disodium [<i>N</i>,<i>N</i>'-(1,3-Propanediyl)bis(oxamato-<i>N</i>,<i>O</i>)]cuprate(II) Hexahydrate","Acta Crystallographica Section C","1996","52","6","1415","1417","10.1107/S010827019600114X","","","0.71069","MoKα","","","0.0719","","0.1872","0.0774","","","","1.076","0.948","0.948","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2005020","10.749","0.006","13.068","0.005","22.643","0.009","90","","90","","90","","3181","2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 N2 O6 -","- C38 H43 N2 O7 -","- C152 H172 N8 O28 -","4","1","KA1162","Sivý, J.; Kettmann, V.; Kostálová, D.; Vrábel, V.","Oxyacanthine","Acta Crystallographica Section C","1996","52","6","1479","1482","10.1107/S0108270195015927","","","0.71073","MoKα","","","0.053","","0.1077","0.055","","","","1.228","0.86","0.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005021","11.354","0.005","11.354","0.005","11.354","0.005","107.21","0.05","107.21","0.05","107.21","0.05","1211.9","1.3","293","2","293","2","","","","","","","","3","R -3 :R","-P 3*","148","3,7,10-tribenzyl-3,7,10-triaza[3.3.3]propellane","","","- C29 H33 N3 -","- C29 H33 N3 -","- C58 H66 N6 -","2","0.333333","KA1166","Herbstein, F. H.; Kapon, M.; Reisner, G. M.","Comparison of the Geometries of 3,7,10-Tribenzyl-3,7,10-triaza[3.3.3]propellane, (1), 7,10-Dibenzyl-3-<i>p</i>-tolyl-3,7,10-triaza[3.3.3]propellane, (2), and 7,10-Dibenzyl-3-oxa-7,10-diaza[3.3.3]propellane, (3)","Acta Crystallographica Section C","1996","52","6","1539","1543","10.1107/S0108270195016039","","","0.71069","MoKα","","0.085","0.0544","","0.1357","0.1153","","","","1.131","","","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005022","13.283","0.007","11.748","0.006","8.533","0.004","103.94","0.05","96.87","0.05","104.87","0.05","1225.5","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","3-p-tolyl-7,10-dibenzyl3,7,10-triaza[3.3.3]propellane","","","- C29 H33 N3 -","- C29 H33 N3 -","- C58 H66 N6 -","2","1","KA1166","Herbstein, F. H.; Kapon, M.; Reisner, G. M.","Comparison of the Geometries of 3,7,10-Tribenzyl-3,7,10-triaza[3.3.3]propellane, (1), 7,10-Dibenzyl-3-<i>p</i>-tolyl-3,7,10-triaza[3.3.3]propellane, (2), and 7,10-Dibenzyl-3-oxa-7,10-diaza[3.3.3]propellane, (3)","Acta Crystallographica Section C","1996","52","6","1539","1543","10.1107/S0108270195016039","","","0.71069","MoKα","","0.0982","0.061","","0.1365","0.1159","","","","1.081","1.184","1.184","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005023","35.656","0.02","9.652","0.005","11.018","0.006","90","","90","","90","","3792","4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3-oxa-7,10-dibenzyl-7,10-triaza[3.3.3]propellane","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C176 H208 N16 O8 -","8","1","KA1166","Herbstein, F. H.; Kapon, M.; Reisner, G. M.","Comparison of the Geometries of 3,7,10-Tribenzyl-3,7,10-triaza[3.3.3]propellane, (1), 7,10-Dibenzyl-3-<i>p</i>-tolyl-3,7,10-triaza[3.3.3]propellane, (2), and 7,10-Dibenzyl-3-oxa-7,10-diaza[3.3.3]propellane, (3)","Acta Crystallographica Section C","1996","52","6","1539","1543","10.1107/S0108270195016039","","","0.71069","MoKα","","0.1679","0.0702","","0.1691","0.1271","","","","0.982","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005024","9.761","0.002","12.422","0.002","12.486","0.002","108.27","0.01","101.26","0.02","100.02","0.02","1364.2","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","(N,N-Dimethyldithiocarbamoylacetato)trimethyltin","","- C8 H17 N O2 S2 Sn -","- C8 H17 N O2 S2 Sn -","- C32 H68 N4 O8 S8 Sn4 -","4","2","KH1073","Ng, S. W.; Kumar Das, V. G.","[(<i>N</i>,<i>N</i>-Dimethylthiocarbamoylthio)acetato]trimethyltin","Acta Crystallographica Section C","1996","52","6","1371","1373","10.1107/S0108270196001874","","","0.71073","MoKα","","0.0486","0.0385","","0.0991","0.0928","","","","1.095","1.134","1.134","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005025","9.17","0.001","16.135","0.0009","17.697","0.002","90","","96.98","0.006","90","","2599","0.4","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3-diethylphosphonopropionato)triphenyltin","","- C25 H29 O5 P Sn -","- C25 H29 O5 P Sn -","- C100 H116 O20 P4 Sn4 -","4","1","KH1075","Ng, S. W.; Kumar Das, V. G.","[3-(Diethylphosphono)propionato]triphenyltin","Acta Crystallographica Section C","1996","52","6","1373","1375","10.1107/S0108270196001886","","","0.71073","MoKα","","0.0545","0.0355","","0.0827","0.0767","","","","0.971","1.06","1.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005026","34.086","0.005","10.0389","0.0009","23.778","0.004","90","","110.114","0.006","90","","7640.3","1.9","300","2","300","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2-triphenylstannyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide triphenylphosphine oxide","","- C43 H34 N O4 P S Sn -","- C43 H34 N O4 P S Sn -","- C344 H272 N8 O32 P8 S8 Sn8 -","8","1","KH1076","Ng, S. W.","2-Triphenylstannyl-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-Dioxide‒Triphenylphosphine Oxide (1/1)","Acta Crystallographica Section C","1996","52","6","1365","1367","10.1107/S0108270196001898","","","0.71073","MoKα","","0.0768","0.0485","","0.1178","0.1078","","","","1.018","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005027","9.1876","0.0006","9.593","0.001","11.0473","0.0007","78.839","0.008","65.036","0.005","86.203","0.009","865.88","0.13","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","butyldiichlorophenyltin.1,2-(diphenylphosphoryl)ehtane","","- C36 H38 Cl2 O2 P2 Sn -","- C36 H38 Cl2 O2 P2 Sn -","- C36 H38 Cl2 O2 P2 Sn -","1","0.5","KH1077","Ng, S. W.; Kumar Das, V. G.","Butyldichlorophenyltin‒1,2-Bis(diphenylphosphoryl)ethane (1/1)","Acta Crystallographica Section C","1996","52","6","1367","1369","10.1107/S0108270196001904","","","0.71073","MoKα","","0.0536","0.0407","","0.1091","0.1006","","","","1.063","1.114","1.114","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005028","9.482","0.002","17.146","0.003","16.931","0.004","90","","98.72","0.02","90","","2720.8","1","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-iso-propylammonium triphenylstannylthiolyacetate","","- C26 H33 N O2 S Sn -","- C26 H33 N O2 S Sn -","- C104 H132 N4 O8 S4 Sn4 -","4","1","KH1078","Ng, S. W.; Kumar Das, V. G.; Yap, G.; Rheingold, A. L.","Diisopropylammonium (Mercaptoacetato-<i>S</i>,<i>O</i>)triphenylstannate","Acta Crystallographica Section C","1996","52","6","1369","1371","10.1107/S0108270196001916","","","0.71073","MoKα","","0.055","0.0351","","0.0834","0.0745","","","","1.02","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005029","21.9","0.007","6.368","0.002","8.939","0.002","90","","93.51","0.02","90","","1244.3","0.6","293","2","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H40 O3 -","- C28 H40 O3 -","- C56 H80 O6 -","2","1","KH1087","Honda, T.; Fujii, I.; Hirayama, N.; Ishikawa, D.; Kawagishi, H.; Song, K.-S.; Yoo, I.-D.","(14α,22<i>E</i>)-14-Hydroxyergosta-4,7,22-triene-3,6-dione, C~28~H~40~O~3~","Acta Crystallographica Section C","1996","52","6","1550","1552","10.1107/S0108270196000030","","","1.54184","CuKα","","","0.039","","","0.047","","","","","2.3","2.3","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005030","10.538","0.001","8.895","0.001","16.031","0.001","90","","102.742","0.009","90","","1465.7","0.2","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C56 H92 N4 O12 -","4","1","LI1142","Zukerman-Schpector, J.; Caracelli, I.; de Oliveira, S. Ma.; Faria de Medeiros, E.; Brocksom, T. J.","A Key Intermediate in the Synthesis of (+)-Hernandulcin","Acta Crystallographica Section C","1996","52","6","1579","1581","10.1107/S010827019600008X","","","0.71073","MoKα","","0.1881","0.0535","","0.1715","0.1048","","","","1.127","1.154","1.154","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005031","8.37","0.003","8.8948","0.0014","23.441","0.004","90","","90","","90","","1745.2","0.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Tris(η^5^-cyclopentadienyl)phenolatoneptunium(IV)","","- C21 H20 Np O -","- C21 H20 Np O -","- C84 H80 Np4 O4 -","4","1","MU1209","De Ridder, D. J. A.; Apostolidis, C.; Rebizant, J.; Kanellakopulos, B.; Maier, R.","Tris(η^5^-cyclopentadienyl)phenolatoneptunium(IV)","Acta Crystallographica Section C","1996","52","6","1436","1438","10.1107/S0108270195014582","","","0.71073","MoKα","","0.0334","0.033","","0.077","0.0765","","","","0.978","0.979","0.979","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005032","17.832","0.002","15.088","0.001","11.023","0.001","90","","103.26","0.01","90","","2886.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1:2 complex of 1,4,10-trioxa-7,13-diazacyclopentadecane and picric acid.","","- C22 H28 N8 O17 -","- C22 H28 N8 O17 -","- C88 H112 N32 O68 -","4","1","MU1223","Saleh, M. I.; Salhin, A.; Saad, B.; Sivakumar, K.; Fun, H.-K.","A 1:2 Host‒Guest Complex of Diaza-15-crown-5 with Picric Acid","Acta Crystallographica Section C","1996","52","6","1509","1512","10.1107/S010827019501691X","","","0.71073","MoKα","","0.0775","0.0466","","0.1343","0.1219","","","","0.981","1.149","1.149","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005033","10.52","0.001","10.89","0.001","12.854","0.001","74.62","0.01","72.55","0.01","64.7","0.01","1253.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Pentacarbonyl Tris-(2-methoxyphenyl)phosphine Chromium(0).","","- C26 H21 Cr O8 P -","- C26 H21 Cr O8 P -","- C52 H42 Cr2 O16 P2 -","2","1","MU1238","bin Shawkataly, O.; Saminathan, T.; Muniswaran, K.; Fun, H.-K.; Sivakumar, K.","Pentacarbonyl[tris(2-methoxyphenyl)phosphine-<i>P</i>]chromium and its Molybdenum Analogue","Acta Crystallographica Section C","1996","52","6","1352","1355","10.1107/S0108270196001527","","","0.71073","MoKα","","0.0374","0.0335","","0.1042","0.1016","","","","1.052","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005034","10.889","0.002","16.395","0.002","14.808","0.002","90","","92.57","0.01","90","","2640.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Pentacarbonyl tris(2-methoxyphenyl)phosphine Molybdenum(0).","","- C26 H21 Mo O8 P -","- C26 H21 Mo O8 P -","- C104 H84 Mo4 O32 P4 -","4","1","MU1238","bin Shawkataly, O.; Saminathan, T.; Muniswaran, K.; Fun, H.-K.; Sivakumar, K.","Pentacarbonyl[tris(2-methoxyphenyl)phosphine-<i>P</i>]chromium and its Molybdenum Analogue","Acta Crystallographica Section C","1996","52","6","1352","1355","10.1107/S0108270196001527","","","0.71073","MoKα","","0.0605","0.035","","0.0849","0.0781","","","","0.899","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005035","8.682","0.001","13.983","0.001","9.956","0.001","90","","96.66","0.01","90","","1200.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[1-hydroxy-2(1H)-pyridinethionato-O,S']palladium(II).","","- C10 H8 N2 O2 Pd S2 -","- C10 H8 N2 O2 Pd S2 -","- C40 H32 N8 O8 Pd4 S8 -","4","1","MU1242","Song, B.-L.; Xiong, R.-G.; Wang, H.; Zuo, J.-L.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","Bis[1-hydroxy-2(1<i>H</i>)-pyridinethionato-<i>O</i>,<i>S</i>]palladium(II)","Acta Crystallographica Section C","1996","52","6","1403","1405","10.1107/S0108270196001539","","","0.71073","MoKα","","0.0288","0.0257","","0.0702","0.0687","","","","1.024","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005036","7.941","0.003","12.81","0.004","13.509","0.004","90","","90.93","","90","","1374","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Br2 Cu N3 -","- C12 H11 Br2 Cu N3 -","- C48 H44 Br8 Cu4 N12 -","4","1","NA1146","Garland, M. T.; Manzur, J.; Moreno, Y.; Spodine, E.; Baggio, R.; González, O.","Dibromo[<i>N</i>-(2-pyridylmethylidene)-2-pyridylmethylamine-<i>N</i>,<i>N</i>',<i>N</i>'']copper(II) Complex","Acta Crystallographica Section C","1996","52","6","1405","1407","10.1107/S0108270195017021","","","0.71073","MoKα","","0.0432","0.0301","","0.077","0.0731","","","","1.013","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005037","7.826","0.002","14.606","0.004","8.83","0.003","90","","96.58","0.02","90","","1002.7","0.5","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Au Cl3 N O -","- C6 H7 Au Cl3 N O -","- C24 H28 Au4 Cl12 N4 O4 -","4","1","NA1179","Bruni, B.; Ferraroni, M.; Orioli, P.; Speroni, G.","A Biologically Active Gold Complex: Trichloro[(2-pyridyl)methanol-<i>N</i>]gold(III)","Acta Crystallographica Section C","1996","52","6","1423","1424","10.1107/S0108270195008067","","","0.71073","MoKα","","","0.0515","","","0.141","","","","","1.265","1.265","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005038","19.649","0.003","19.649","0.003","10.704","0.002","90","","90","","90","","4132.6","1.2","111","2","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","Tetrakis[(μu3-5-methylthiophene-C2)-(diethylether-O)-lithium","","- C36 H60 Li4 O4 S4 -","- C36 H60 Li4 O4 S4 -","- C144 H240 Li16 O16 S16 -","4","0.25","NA1208","Powell, D. R.; Whipple, W. L.; Reich, H. J.","Tetrakis(μ~3~-2-methyl-5-thienyl)tetrakis(diethyl ether-<i>O</i>)-<i>tetrahedro</i>-tetralithium","Acta Crystallographica Section C","1996","52","6","1346","1348","10.1107/S0108270196000546","","","1.54184","CuKα","","","0.0727","","0.1918","0.1701","","","","1.097","1.243","1.243","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005039","11.059","0.002","32.367","0.006","18.933","0.003","90","","97.41","0.03","90","","6720","2","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 Fe4 O12 Se3 -","- C26 H14 Fe4 O12 Se3 -","- C208 H112 Fe32 O96 Se24 -","8","2","NA1209","Song, L.-C.; Hu, Q.-M.; Yan, C.-G.; Wang, R.-J.; Mak, T. C. W.","The First μ~4~-Se Spiro-Type Fe~4~Se~3~ Cluster: [(μ-4-CH~3~-C~6~H~4~Se)Fe~2~(CO)~6~]~2~(μ~4~-Se)","Acta Crystallographica Section C","1996","52","6","1357","1359","10.1107/S0108270196000613","","","0.71073","MoKα","","","0.06","","","0.053","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005040","14.664","0.013","7.697","0.008","5.08","0.005","90","","96.71","0.01","90","","569.4","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H9 Cl2 Cu N3 -","- C10 H9 Cl2 Cu N3 -","- C20 H18 Cl4 Cu2 N6 -","2","0.5","NA1211","Spodine, E.; Atria, A. M.; Baggio, R.; Garland, M. T.","Dichloro(di-2-pyridylamine-<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","1996","52","6","1407","1410","10.1107/S0108270196000601","","","0.71073","MoKα","","0.0387","0.0377","","0.0886","0.0877","","","","1.148","1.151","1.151","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005041","9.099","0.004","9.52","0.003","16.753","0.006","102.46","0.03","92.34","0.03","102.22","0.03","1379.2","0.9","298","","298","","","","","","","","","6","P -1","-P 1","2","","disodium [4-carboxy-4,8,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11- triazatridecan-13-oato(5^-^)]europate(2^-^)","","- C22 H31 Eu N3 Na2 O13.5 -","- C22 H31 Eu N3 Na2 O13.5 -","- C44 H62 Eu2 N6 Na4 O27 -","2","1","NA1216","Dapporto, P.; Fedeli, F.; Paoli, P.; Uggeri, F.","Disodium Aqua[2,5,8-tris(carboxymethyl)-12-phenyl-2,5,8-triaza-11-oxa-1,9-dodecanedicarboxylato(5–)]europate Sesquihydrate","Acta Crystallographica Section C","1996","52","6","1438","1441","10.1107/S0108270196000972","","","0.71069","MoKα","","","0.066","","","0.148","","","","","1.14","1.14","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005042","5.858","0.003","8.171","0.003","24.367","0.007","90","","90","","90","","1166.3","0.8","293","1","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-O-benzyl-β-L-arabinopyranose","1-O-benzyl-β-L-arabinopyranose","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","1","NS1003","Popek, T.; Mazurek, J.; Lis, T.","1-<i>O</i>-Benzyl-β-<small>L</small>-arabinopyranose, 1-<i>O</i>-Benzyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose and 1-<i>O</i>-Benzyl-2-<i>O</i>-benzoyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose","Acta Crystallographica Section C","1996","52","6","1558","1563","10.1107/S0108270195016143","","","1.5418","CuKα","","0.0426","0.0327","","0.095","0.0913","","","","1.041","1.102","1.102","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005043","12.565","0.008","5.692","0.003","10.584","0.005","90","","102.66","0.05","90","","738.6","0.7","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-O-benzyl-3,4-O-isopropylidene-β-L-arabinopyranose","1-O-benzyl-3,4-O-isopropylidene-β-L-arabinopyranose","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","NS1003","Popek, T.; Mazurek, J.; Lis, T.","1-<i>O</i>-Benzyl-β-<small>L</small>-arabinopyranose, 1-<i>O</i>-Benzyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose and 1-<i>O</i>-Benzyl-2-<i>O</i>-benzoyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose","Acta Crystallographica Section C","1996","52","6","1558","1563","10.1107/S0108270195016143","","","1.5418","CuKα","","0.0885","0.0373","","0.0971","0.0796","","","","1.03","1.131","1.131","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005044","8.106","0.004","11.353","0.006","11.546","0.006","90","","106.83","0.04","90","","1017","0.9","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-O-benzyl-2-O-benzoyl-3,4-O-isopropylidene-β-L-arabinopyranose","1-O-benzyl-2-O-benzoyl-3,4-O-isopropylidene-β-L-arabinopyranose","","- C22 H24 O6 -","- C22 H24 O6 -","- C44 H48 O12 -","2","1","NS1003","Popek, T.; Mazurek, J.; Lis, T.","1-<i>O</i>-Benzyl-β-<small>L</small>-arabinopyranose, 1-<i>O</i>-Benzyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose and 1-<i>O</i>-Benzyl-2-<i>O</i>-benzoyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose","Acta Crystallographica Section C","1996","52","6","1558","1563","10.1107/S0108270195016143","","","1.5418","CuKα","","0.0408","0.0352","","0.1086","0.1059","","","","1.085","1.132","1.132","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005045","8.738","0.002","9.998","0.002","15.307","0.003","90","","91.02","0.03","90","","1337","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S~1~,S~2~,R~4~,S~S~)-Benzyl 3,3-diethoxycarbonyl-2-(p-tolylsulfinyl)- bicyclo[2.2.1]hept-5-ene-2-carboxylate","","- C28 H30 O7 S -","- C28 H30 O7 S -","- C56 H60 O14 S2 -","2","1","NS1006","Alonso, I.; López-Solera, I.; Raithby, P. R.","The Diels–Alder Adduct of an Enantiopure Sulfinyl Trialkoxycarbonyl Ethene and Cyclopentadiene","Acta Crystallographica Section C","1996","52","6","1548","1550","10.1107/S0108270196000315","","","1.54178","CuKα","","0.0604","0.0505","","0.1391","0.129","","","","1.04","1.065","1.065","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005046","12.502","0.005","7.533","0.002","13.04","0.004","90","","112.97","0.03","90","","1130.7","0.7","295","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl3 Co N5 -","- C4 H12 Cl3 Co N5 -","- C16 H48 Cl12 Co4 N20 -","4","1","PA1186","Lemoine, P.; Chiadmi, M.; Bissery, V.; Tomas, A.; Viossat, B.","Les Composés de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^","Acta Crystallographica Section C","1996","52","6","1430","1436","10.1107/S0108270195008377","","","0.7107","MoKα","","","0.031","","","0.031","","","","","1.28","1.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005047","7.727","0.001","16.675","0.005","8.023","0.002","90","","115.25","0.02","90","","935","0.4","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H11 Cl2 Cu N5 -","- C4 H11 Cl2 Cu N5 -","- C16 H44 Cl8 Cu4 N20 -","4","1","PA1186","Lemoine, P.; Chiadmi, M.; Bissery, V.; Tomas, A.; Viossat, B.","Les Composés de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^","Acta Crystallographica Section C","1996","52","6","1430","1436","10.1107/S0108270195008377","","","0.71069","MoKα","","","0.045","","","0.049","","","","","1.55","1.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005048","15.059","0.009","5.153","0.005","11.57","0.009","90","","90","","95.83","0.06","893.2","1.2","293","1","","","","","","","","","","6","P 1 1 21/n","-P 2n","14","","","","- C8 H26 Cl2 Cu N10 O2 -","- C8 H26 Cl2 Cu N10 O2 -","- C16 H52 Cl4 Cu2 N20 O4 -","2","0.5","PA1186","Lemoine, P.; Chiadmi, M.; Bissery, V.; Tomas, A.; Viossat, B.","Les Composés de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^","Acta Crystallographica Section C","1996","52","6","1430","1436","10.1107/S0108270195008377","","","1.5418","CuKα","","","0.047","","","0.047","","","","","1.55","1.55","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005049","13.449","0.004","7.44","0.005","15.811","0.004","90","","104.8","0.1","90","","1529.6","1.4","293","1","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H23 Cl N10 Ni O -","- C8 H23 Cl N10 Ni O -","- C32 H92 Cl4 N40 Ni4 O4 -","4","0.5","PA1186","Lemoine, P.; Chiadmi, M.; Bissery, V.; Tomas, A.; Viossat, B.","Les Composés de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^","Acta Crystallographica Section C","1996","52","6","1430","1436","10.1107/S0108270195008377","","","1.5418","CuKα","","","0.038","","","0.038","","","","","1.91","1.91","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005050","23.123","0.004","11.484","0.002","9.22","0.001","90","","95.05","0.03","90","","2438.8","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Chromene","8,8-dimethyl-[8H]-pyrano[3,2-f]quinolene","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","PA1202","Aldoshin, S.; Chuev, I.; Philipenko, O.; Pozzo, J. L.; Lokshin, V.; Pèpe, G.; Samat, A.","Photochromic Pyrido-Annelated 2,2-Dimethylchromene","Acta Crystallographica Section C","1996","52","6","1537","1539","10.1107/S0108270195016192","","","0.71069","MoKα","","0.0405","0.0405","","0.047","0.047","","","","0.957","1.188","1.188","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005051","15.312","0.003","5.024","0.001","12.514","0.003","90","","112.23","0.03","90","","891.1","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-phenyl-4-imidazolidinone (Z)-oxime","","- C9 H11 N3 O -","- C9 H11 N3 O -","- C36 H44 N12 O4 -","4","1","PA1215","Suwinski, J.; Wagner, P.; Holt, E. M.","1-Phenyl-4-imidazolidinone (<i>Z</i>)-Oxime","Acta Crystallographica Section C","1996","52","6","1462","1464","10.1107/S0108270195016210","","","0.71073","MoKα","","","0.047","","","0.0475","","","","","1.06","1.06","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005052","7.556","0.002","11.587","0.002","20.255","0.004","90","","90","","90","","1773.4","0.7","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Boldine hydrochloride","[6a-(S)-1,10-dimethoxy-2-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,","","- C19 H22 Cl N O4 -","- C19 H22 Cl N O4 -","- C76 H88 Cl4 N4 O16 -","4","1","PT1029","Asencio, M.; Cassels, B. K.; Manríquez, V.; Boys, D.","(<i>S</i>)-1,10-Dimethoxy-2,9-dihydroxyaporphinium Chloride (Boldine Hydrochloride), C~19~H~22~NO~4~^+^.Cl^{-^}","Acta Crystallographica Section C","1996","52","6","1581","1583","10.1107/S0108270195016805","","","0.71073","MoKα","","0.0711","0.0409","","0.0512","0.0466","","","","","1.19","1.19","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005053","6.4262","0.001","9.1322","0.001","9.3627","0.001","90","","108.85","0.01","90","","519.98","0.12","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 N2 O6 -","- C8 H16 N2 O6 -","- C16 H32 N4 O12 -","2","1","PT1032","Aakeröy, C. B.; Bahra, G. S.; Nieuwenhuyzen, M.","Piperazinium <small>L</small>-Tartrate","Acta Crystallographica Section C","1996","52","6","1471","1473","10.1107/S0108270195016374","","","0.71073","MoKα","","","0.0248","","","0.0658","","","","","1.085","1.085","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005054","6.997","0.001","11.887","0.002","23.201","0.004","90","","90","","90","","1929.7","0.5","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","PT1035","Jiménez, M.; González de la Parra, M.; Melendez, E.; Campos, M. P.; Soriano-García, M.","Trinervinol","Acta Crystallographica Section C","1996","52","6","1458","1460","10.1107/S0108270195015599","","","1.54184","CuKα","","","0.037","","","0.056","","","","","1.256","1.256","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005055","8.664","0.002","12.314","0.004","19.763","0.004","90","","90","","90","","2108.5","0.9","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 O4 -","- C23 H36 O4 -","- C92 H144 O16 -","4","1","PT1039","Soriano-García, M.; Jiménez, M.; González de la Parra, M.; Navarro, A.; Campos, M. P.","Acetonide-3-trinervinone","Acta Crystallographica Section C","1996","52","6","1460","1462","10.1107/S0108270195015617","","","0.71073","MoKα","","","0.052","","","0.073","","","","","1.208","1.208","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005056","11.653","0.002","12.045","0.001","12.594","0.002","90","","105.156","0.008","90","","1706.2","0.4","296","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H23 Co N2 O7 S2 -","- C11 H23 Co N2 O7 S2 -","- C44 H92 Co4 N8 O28 S8 -","4","2","PT1040","Yonemura, T.; Yasui, T.; Okamoto, K.-I.; Hidaka, J.","<i>trans</i>(S)-(<i>S</i>-Methyl-<small>D</small>-penicillaminato)(<small>D</small>-penicillaminesulfinato)cobalt(III) Monohydrate","Acta Crystallographica Section C","1996","52","6","1390","1392","10.1107/S0108270195015605","","","0.71073","MoKα","","","0.071","","","0.084","","","","","2.39","2.39","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2005057","8.336","0.002","15.044","0.004","17.454","0.006","90","","99.46","0.02","90","","2159.1","1.1","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-2-hydroxyethyl-N,N-bis[1-methyl-2-benzimidazolylmethyl]aminechlorocopper(II) chloride hydrate","","- C20 H25 Cl2 Cu N5 O2 -","- C20 H24 Cl2 Cu N5 O2 -","- C80 H96 Cl8 Cu4 N20 O8 -","4","1","SK1011","Elliot, D.; Price, C. L.; Martin, L. L.; Taylor, M. R.","{2-[Bis(1-methyl-2-benzimidazolylmethyl)amino]-ethanol}chlorocopper(II) Chloride Hydrate","Acta Crystallographica Section C","1996","52","6","1421","1423","10.1107/S0108270196001205","","","0.71073","MoKα","","0.063","0.056","","0.106","0.104","","","","1.765","1.798","1.798","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2005058","13.695","0.004","25.34","0.01","9.128","0.003","90","","90","","90","","3167.7","1.9","291","","291","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 N2 O9 P Si -","- C26 H39 N2 O9 P Si -","- C104 H156 N8 O36 P4 Si4 -","4","1","SX1005","McEldoon, W. L.; Swenson, D. C.; Wiemer, D. F.","(2'<i>S</i>,3'<i>S</i>,4'<i>R</i>)-5'-<i>O</i>-Benzoyl-3'-deoxy-3'β-diethylphosphono-2'-<i>O</i>-<i>tert</i>-butyldimethylsilyluridine","Acta Crystallographica Section C","1996","52","6","1552","1554","10.1107/S0108270195014831","","","0.71073","Mo_Kα","","0.15","0.051","","","0.053","","","","","1.054","1.054","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005059","14.51","0.001","17.248","0.001","11.908","0.002","90","","90","","90","","2980.2","0.6","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O11 -","- C31 H38 O11 -","- C124 H152 O44 -","4","1","SZ1030","Soriano-Garcia, M.; Jimenez, M. A.; Mata, R.; Segura de Correa, R.","Humilinolide D","Acta Crystallographica Section C","1996","52","6","1527","1529","10.1107/S0108270195010109","","","1.54184","CuKα","","","0.0562","","","0.0651","","","","","1.32","1.32","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005060","17.116","0.004","9.96","0.003","21.416","0.005","90","","108.59","0.02","90","","3460.4","1.6","298","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 B3 O Os P2 -","- C37 H39 B3 O Os P2 -","- C148 H156 B12 O4 Os4 P8 -","4","1","SZ1031","Bould, J.; Rath, N. P.; Barton, L.","[(CO)H(PPh~3~)~2~-<i>arachno</i>-OsB~3~H~8~]","Acta Crystallographica Section C","1996","52","6","1388","1390","10.1107/S0108270195017239","","","0.71073","MoKα","","","0.0471","","","0.1129","","","","","0.935","0.935","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005061","5.536","0.002","7.901","0.002","16.54","0.003","83.98","0.01","82.55","0.02","76.76","0.02","696.2","0.3","297","","","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H24 O3 -","- C14 H24 O3 -","- C28 H48 O6 -","2","1","SZ1045","Thompson, H. W.; Coté, M. L.; Lalancette, R. A.","(±)-2-Oxocyclododecaneacetic Acid: Structure and Hydrogen-Bonding Pattern of a Large-Ring γ-Keto Acid","Acta Crystallographica Section C","1996","52","6","1520","1523","10.1107/S0108270195010249","","","0.71073","MoKα","","","0.0504","","","0.0582","","","","","1.19","1.19","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005062","9.293","0.002","12.992","0.003","12.71","0.002","90","","97.67","0.02","90","","1520.8","0.5","213","1","213","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br5 O2 -","- C12 H11 Br5 O2 -","- C48 H44 Br20 O8 -","4","1","TA1040","Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.","(2α,5α)-1,5,6,9,9-Pentabromo-7-methoxy-2,3,3a,4,5,6-hexahydro-3a,6-methanoazulen-2-ol","Acta Crystallographica Section C","1996","52","6","1589","1591","10.1107/S0108270195017112","","","1.5418","CuKα","","0.0422","0.04","","0.0486","0.0485","","","","","2.92","2.92","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005063","11.379","0.003","12.708","0.002","16.241","0.003","90","","100.11","0.02","90","","2312.1","0.8","141","2","141","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Chloro-bis-{([9R^*^,12R^*^]-6,8,8,13,13,15-hexamethyl-1,5,9,12- tetraazacyclopentadeca-5,15(1)-diene-N^1^,N^5^,N^9^,N^12^)- perchlorato)copper(II)} perchlorate","","- C17 H34 Cl2 Cu N4 O6 -","- C17 H31 Cl2 Cu N4 O6 -","- C68 H124 Cl8 Cu4 N16 O24 -","4","1","TA1060","Gladkikh, O. P.; Curtis, N. F.","A Chloro-Bridged Dinuclear Copper(II) Cationic Complex of a 15-Membered Tetraaza Macrocyclic Ligand","Acta Crystallographica Section C","1996","52","6","1418","1421","10.1107/S0108270196002004","","","0.71073","MoKα","","0.0953","0.056","","0.1567","0.1387","","","","1.009","1.145","1.145","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005064","22.201","0.005","13.667","0.003","22.087","0.004","90","","90.43","0.02","90","","6701","2","296","","296","","","","","","","","","7","C 1 2 1","C 2y","5","","bis[tris(2,2'-bipyridine)ruthenium(II)] hexacyanocobaltate(III) chloride octahydrate","","- C66 H64 Cl Co N18 O8 Ru2 -","- C66 H64 Cl Co N18 O8 Ru2 -","- C264 H256 Cl4 Co4 N72 O32 Ru8 -","4","1","TA1068","Tamura, H.; Ikeda, N.; Iguro, T.; Ohno, T.; Matsubayashi, G.-E.","The Pseudo-Racemic Complex Bis[tris(2,2'-bipyridine)ruthenium(II)] Hexacyanocobaltate(III) Chloride Octahydrate, [Ru(bpy)~3~]~2~[Co(CN)~6~]Cl.8H~2~O","Acta Crystallographica Section C","1996","52","6","1394","1399","10.1107/S0108270196000042","","","0.7107","MoKα","","","0.035","","","0.06","","","","","1.56","1.56","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2005065","7.2309","0.0009","29.517","0.004","20.717","0.003","90","","101.98","0.01","90","","4325.4","1","130","2","130","2","","","","","","","","5","P 1 n 1","P -2yac","7","","(4) bis-(p-nitrobenzoate) ester of cis-1,1-dimethylsilacyclohex-3,4-diylbis- p-Nitrobenzoate","","- C21 H22 N2 O8 Si -","- C21 H22 N2 O8 Si -","- C168 H176 N16 O64 Si8 -","8","4","TA1071","White, J. M.; Tham, W.-Y.; Green, A. J.","Bis(<i>p</i>-nitrobenzoate) Ester of <i>cis</i>-1,1-Dimethylsilacyclohexane-3,4-diol","Acta Crystallographica Section C","1996","52","6","1493","1496","10.1107/S0108270195016441","","","1.5418","CuKαradiation(Nifiltered)","","0.0395","0.0358","","0.0956","0.0913","","","","1.007","0.992","0.992","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:26",""
"2005066","13.165","0.003","9.53","0.005","28.924","0.002","90","","98.27","0.01","90","","3591","2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 N2 O3 Sn -","- C17 H20 N2 O3 Sn -","- C136 H160 N16 O24 Sn8 -","8","1","TA1087","Basu Baul, T. S.; Tiekink, E. R. T.","Polymeric [<i>p</i>-(2-Hydroxy-5-methylphenylazo)benzoato]trimethyltin","Acta Crystallographica Section C","1996","52","6","1428","1430","10.1107/S0108270196001990","","","0.7107","MoKα","","0.0639","0.0639","","0.0848","0.0848","","","","1.572","1.572","1.572","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005067","12.299","0.002","8.046","0.002","11.563","0.002","90","","90.83","0.03","90","","1144.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(p-pethoxy-phenyl)-2-methyl-4-nitro-imidazole","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C44 H44 N12 O12 -","4","1","AB1279","Kowalski, A.","1-(<i>p</i>-Methoxyphenyl)-2-methyl-4-nitroimidazole and 1-(<i>p</i>-Acetylphenyl)-2-methyl-4-nitroimidazole","Acta Crystallographica Section C","1996","52","7","1784","1787","10.1107/S0108270196001722","","","1.54178","CuKα","","0.0705","0.0409","","0.1628","0.127","","","","1.12","1.251","1.251","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005068","7.493","0.001","8.217","0.002","10.332","0.002","90.46","0.02","105.24","0.02","110.59","0.02","571","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(p-acetyl-phenyl)-2-methyl-4-nitro-imidazole","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C24 H22 N6 O6 -","2","1","AB1279","Kowalski, A.","1-(<i>p</i>-Methoxyphenyl)-2-methyl-4-nitroimidazole and 1-(<i>p</i>-Acetylphenyl)-2-methyl-4-nitroimidazole","Acta Crystallographica Section C","1996","52","7","1784","1787","10.1107/S0108270196001722","","","1.54178","CuKα","","0.1025","0.0424","","0.2912","0.1147","","","","0.855","0.738","0.738","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005069","11.018","0.007","14.184","0.007","24.78","0.01","90","","94.5","0.05","90","","3861","3","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 Fe K N2 O10.5 -","- C15 H19 Fe K N2 O10.5 -","- C120 H152 Fe8 K8 N16 O84 -","8","1","AB1280","Hernández-Padilla, M.; Sanchiz, J.; Domínguez, S.; Mederos, A.; Arrieta, J. M.; Zuñiga, F. J.","Potassium Aqua(3,4-toluenediamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato)ferrate(III)‒Water (1/1.5)","Acta Crystallographica Section C","1996","52","7","1618","1621","10.1107/S0108270196002697","","","0.71069","MoKα","","","","","","0.1432","","","","","1.115","1.115","","","","","has coordinates","190595","2020-10-21","18:00:00",""
"2005070","15.89","0.005","13.093","0.004","7.828","0.003","75.48","0.01","78.25","0.01","73.46","0.01","1495.9","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Br N2 O -","- C17 H15 Br N2 O -","- C68 H60 Br4 N8 O4 -","4","2","AB1282","Barakat, S. E.-S.; Lindner, H. J.","2-Bromomethyl-3-(2-ethylphenyl)-4(3<i>H</i>)-quinazolinone","Acta Crystallographica Section C","1996","52","7","1703","1705","10.1107/S0108270196001291","","","0.71069","MoKα","","0.0497","0.0348","","0.1185","0.1061","","","","0.957","0.974","0.974","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005071","7.813","0.002","8.058","0.002","10.212","0.002","92.44","0.03","105.51","0.03","106.03","0.03","590.7","0.3","273","2","273","2","","","","","","","","4","P 1","P 1","1","","(5R)-5-[(1''S)-Hydroxybenzyl]-5-(l-menthyloxy)-4-(pyrrolidin-yl)furan-2(5H)- one","","- C25 H35 N O4 -","- C25 H35 N O4 -","- C25 H35 N O4 -","1","1","AB1288","Alonso, I.; López-Solera, I.; Raithby, P. R.","(5<i>R</i>)-5-[(<i>S</i>)-α-Hydroxybenzyl]-5-(<small>L</small>-menthyloxy)-4-(1-pyrrolidinyl)furan-2(5<i>H</i>)-one","Acta Crystallographica Section C","1996","52","7","1743","1745","10.1107/S0108270196001023","","","0.71073","MoKα","","0.1563","0.0742","","0.1683","0.1324","","","","1.02","1.118","1.118","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005072","21.771","0.004","10.608","0.002","16.885","0.003","90","","90","","90","","3899.5","1.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","trans-chloromethylbis(tri-p-tolylarsine)platinum(II)","","- C43 H45 As2 Cl Pt -","- C43 H45 As2 Cl Pt -","- C172 H180 As8 Cl4 Pt4 -","4","1","AB1292","Otto, S.; Roodt, A.","<i>trans</i>-Chloromethylbis(tri-<i>p</i>-tolylarsine)platinum(II)","Acta Crystallographica Section C","1996","52","7","1636","1638","10.1107/S0108270196000510","","","0.71073","MoKα","","0.0226","0.0226","","0.0545","0.0545","","","","1.077","1.077","1.077","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005073","8.71","0.003","12.988","0.002","14.069","0.003","90","","102.44","0.04","90","","1554.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-bis(1'-closo-2'-phenyl-1',2'-dicarbadodecaboryl)-2,3,5,6- tetrafluorobenzene","","- C22 H30 B20 F4 -","- C22 H30 B20 F4 -","- C44 H60 B40 F8 -","2","0.5","AB1305","Thomas, R. Ll.; Welch, A. J.","Haloaryl Carboranes. I. 1,4-Bis[2-phenyl-1,2-dicarba-<i>closo</i>-dodecaboran(12)-1-yl]-2,3,5,6-tetrafluorobenzene","Acta Crystallographica Section C","1996","52","7","1689","1691","10.1107/S0108270196000029","","","0.71069","MoKα","","0.0645","0.0463","","0.1361","0.1312","","","","1.11","1.221","1.221","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005074","4.747","0.007","14.399","0.002","15.191","0.002","90","0.011","90","0.011","90","0.011","1038.3","1.5","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanyl-glycyl-L-alanine","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C32 H60 N12 O16 -","4","1","AB1324","Padiyar, G. S.; Seshadri, T. P.","The Linear Tripeptide <small>L</small>-Alanylglycyl-<small>L</small>-alanine","Acta Crystallographica Section C","1996","52","7","1693","1695","10.1107/S0108270196001138","","","1.5418","CuKα","","0.0305","0.0279","","0.08","0.078","","","","1.045","1.057","1.057","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005075","6.891","0.002","11.412","0.006","11.78","0.004","101.25","0.04","96.96","0.01","102.06","0.04","875.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Gallium Hexamolybdocobaltate (III)-water (1:16)","","- Co Ga H38 Mo6 O40 -","- Co Ga H38 Mo6 O40 -","- Co Ga H38 Mo6 O40 -","1","0.5","AB1334","Panneerselvam, K.; Soriano-García, M.; Holguin-Quiñones, S.; Holt, E. M.","Hexaaquagallium Hexahydrogenhexamolybdocobaltate(III) Decahydrate","Acta Crystallographica Section C","1996","52","7","1605","1607","10.1107/S0108270195017161","","","0.71073","MoKα","","0.0395","0.0371","","0.0995","0.0981","","","","1.086","1.128","1.128","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005076","8.569","0.003","17.316","0.006","9.968","0.004","90","","109.02","0.02","90","","1398.3","0.9","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-benzo-1,4-diaza-7,10,13-trioxapentadec-2-ene","","- C14 H22 N2 O3 -","- C14 H22 N2 O3 -","- C56 H88 N8 O12 -","4","1","AB1361","Clegg, W.; Cooper, P. J.; Lockhart, J. C.","A Diaza Analogue of Benzo-15-crown-5","Acta Crystallographica Section C","1996","52","7","1795","1797","10.1107/S0108270196003113","","","1.54184","CuKα","","0.051","0.0508","","0.1492","0.149","","","","1.128","1.135","1.135","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005077","5.396","0.002","7.935","0.003","18.311","0.004","90","0.06","93.71","0.03","90","","782.4","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bandrowski's base","N,N'-(2,5-diamino-2,5-cyclohexadiene-1,4-diylidene)bis-1,4-benzenediamine","","- C18 H18 N6 -","- C18 H18 N6 -","- C36 H36 N12 -","2","0.5","AB1362","Blake, A. J.; Hubberstey, P.; Quinlan, D. J.","Bandrowski's Base","Acta Crystallographica Section C","1996","52","7","1774","1776","10.1107/S0108270196003125","","","0.71073","MoKα","","0.2227","0.0771","","0.2134","0.1403","","","","0.924","1.278","1.278","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:26",""
"2005078","8.679","0.002","7.964","0.001","4.86","0.002","90","","101.1","0.02","90","","329.64","0.16","293","","","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C6 H9 N S -","- C6 H9 N S -","- C12 H18 N2 S2 -","2","0.5","BK1147","Andras, M. T.; Hepp, A. F.; Fanwick, P. E.; Martuch, R. A.; Duraj, S. A.; Gordon, E. M.","4-Methylpyridinium Hydrogen Sulfide","Acta Crystallographica Section C","1996","52","7","1701","1702","10.1107/S0108270196000078","","","0.71073","MoKα","","","0.039","","","0.048","","","","","1.617","1.617","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005079","8.144","0.001","21.772","0.001","6.966","0.001","90","","90","","90","","1235.1","0.2","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 B N4 O4 -","- C10 H15 B N4 O4 -","- C40 H60 B4 N16 O16 -","4","1","BK1158","Gao, Q.; Sood, A.; Ramsay Shaw, B.; Williams, L. D.","2'-Deoxycytidine-<i>N</i>3-cyanoborane","Acta Crystallographica Section C","1996","52","7","1823","1825","10.1107/S0108270195013783","","","1.5418","CuKα","","","0.029","","","0.042","","","","","1.505","1.505","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005080","10.9215","0.001","9.54","0.002","11.9604","0.001","90","","107.2","0.01","90","","1190.4","0.3","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","BK1163","Moreno-Fuquen, R.; do Gambardella, M. T.; de Santos, R. H.","1:1 Complex Formed by 2-Picoline <i>N</i>-Oxide and 4-Nitrophenol","Acta Crystallographica Section C","1996","52","7","1745","1747","10.1107/S0108270196000066","","","0.71073","MoKα","","0.0978","0.055","","0.1144","0.107","","","","3.302","3.934","3.934","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005081","7.249","0.002","9.893","0.002","11.247","0.003","90","","102.86","0.02","90","","786.3","0.3","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N O6 P -","- C4 H10 N O6 P -","- C16 H40 N4 O24 P4 -","4","1","BK1167","Maniukiewicz, W.; Kwiatkowski, W.; Blessing, R. H.","<i>O</i>-Phospho-<small>DL</small>-threonine and <i>O</i>-Phospho-<small>L</small>-threonine Compared with their Serine Analogs","Acta Crystallographica Section C","1996","52","7","1736","1741","10.1107/S0108270195015708","","","0.71069","MoKα","","","0.028","","","0.075","","","","","3.08","3.08","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005082","6.709","0.001","9.854","0.001","11.766","0.002","90","","90","","90","","777.86","0.19","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 N O6 P -","- C4 H10 N O6 P -","- C16 H40 N4 O24 P4 -","4","1","BK1167","Maniukiewicz, W.; Kwiatkowski, W.; Blessing, R. H.","<i>O</i>-Phospho-<small>DL</small>-threonine and <i>O</i>-Phospho-<small>L</small>-threonine Compared with their Serine Analogs","Acta Crystallographica Section C","1996","52","7","1736","1741","10.1107/S0108270195015708","","","0.71069","MoKα","","","0.026","","","0.065","","","","","2.38","2.38","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005083","6.141","0.001","19.57","0.002","11.366","0.001","90","","91.64","0.01","90","","1365.4","0.3","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Mn N4 O4 -","- C12 H10 Mn N4 O4 -","- C48 H40 Mn4 N16 O16 -","4","1","BK1196","Tamaki, K.; Okabe, N.","Manganese Cupferronate","Acta Crystallographica Section C","1996","52","7","1612","1614","10.1107/S0108270196002661","","","0.71069","MoKα","","","0.04","","","0.041","","","","","1.2","1.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005084","17.816","0.002","9.05","0.001","15.468","0.003","90","","98.7","0.01","90","","2465.3","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-4,5-bis(fluorodinitromethyl)-cis-2-methoxy-1,3-dioxolane","","- C6 H6 F2 N4 O11 -","- C6 H6 F2 N4 O11 -","- C48 H48 F16 N32 O88 -","8","1","BK1205","Corbett, J. M.; Dickman, M. H.","4,5-Bis(fluorodinitromethyl)-2-methoxy-1,3-dioxolane","Acta Crystallographica Section C","1996","52","7","1851","1853","10.1107/S010827019600265X","","","0.71073","MoKα","","0.0625","0.0408","","0.1063","0.0946","","","","1.038","1.115","1.115","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005085","10.646","0.003","16.547","0.002","6.899","0.003","90","","90","","90","","1215.3","0.6","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Anthracene-1,8-dicarboxylic acid","anthracene-1,8-dicarboxylic acid","","- C16 H10 O4 -","- C16 H10 O4 -","- C64 H40 O16 -","4","1","BK1211","Fitzgerald, L. J.; Gerkin, R. E.","Anthracene-1,8-dicarboxylic Acid","Acta Crystallographica Section C","1996","52","7","1838","1841","10.1107/S0108270196002703","","","0.71073","MoKα","","","0.051","","","0.05","","","","","1.39","1.39","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005086","8.21","0.002","12.076","0.005","11.949","0.003","90","","99.71","0.02","90","","1167.7","0.6","295","2","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O4 Ti -","- C12 H12 O4 Ti -","- C48 H48 O16 Ti4 -","4","1","BK1212","Gibson, D. H.; Ding, Y.; Richardson, J. F.; Mashuta, M. S.","Bis(η^5^-cyclopentadienyl)bis(formato-<i>O</i>)titanium","Acta Crystallographica Section C","1996","52","7","1614","1616","10.1107/S0108270196002715","","","0.7107","MoKα","","","0.038","","","0.038","","","","","1.88","1.88","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005087","8.216","0.002","16.164","0.002","12.762","0.002","90","","107.12","0.02","90","","1619.7","0.5","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","lithium isodicyclopentadienide tetramethylethylenediamine","(N,N,N',N'‒tetramethylethylenediamine)lithium(1+) (1,2,3,3a,7a‒η)‒4,5,6,7‒tetrahydro‒4,7‒methanoindenide","","- C16 H27 Li N2 -","- C16 H27 Li N2 -","- C64 H108 Li4 N8 -","4","1","BK1216","Gallucci, J. C.; Sivik, M. R.; Paquette, L. A.; Zaegel, F.; Meunier, P.; Gautheron, B.","Two Derivatives of Lithium Isodicyclopentadienide: [(1,2,3,3a,7a-η)-4,5,6,7-Tetrahydro-4,7-methanoindenido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)lithium and Bis(1,4,7,10-tetraoxacyclododecane)lithium(1+) Bis[(1,2,3,3a,7a-η)-4,5,6,7-tetrahydro-4,7-methanoindenido]lithate(1‒)","Acta Crystallographica Section C","1996","52","7","1673","1679","10.1107/S0108270196002454","","","0.71073","MoKα","","0.2548","0.059","","0.189","0.125","","","","1","1.253","1.253","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005088","11.818","0.001","16.129","0.002","9.871","0.001","107.05","0.01","108.23","0.01","88.7","0.01","1703.6","0.3","203","","203","","","","","","","","","4","P -1","-P 1","2","","bis(1,4,7,10–tetraoxacyclododecane)lithium(1+) bis[(1,2,3,3a,7a–η)–4,5,6,7–tetrahydro–4,7–methanoindenido] lithate(1-)","","- C36 H54 Li2 O8 -","- C36 H54 Li2 O8 -","- C72 H108 Li4 O16 -","2","1","BK1216","Gallucci, J. C.; Sivik, M. R.; Paquette, L. A.; Zaegel, F.; Meunier, P.; Gautheron, B.","Two Derivatives of Lithium Isodicyclopentadienide: [(1,2,3,3a,7a-η)-4,5,6,7-Tetrahydro-4,7-methanoindenido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)lithium and Bis(1,4,7,10-tetraoxacyclododecane)lithium(1+) Bis[(1,2,3,3a,7a-η)-4,5,6,7-tetrahydro-4,7-methanoindenido]lithate(1–)","Acta Crystallographica Section C","1996","52","7","1673","1679","10.1107/S0108270196002454","","","0.71073","MoKα","","","0.054","","0.056","0.0555","","","","1.706","1.706","1.706","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:26",""
"2005089","11.868","0.007","12.2","0.01","20.746","0.011","96.83","0.05","100.85","0.05","101.16","0.04","2856","3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","Di(N-propallyl-phenylammonium) phenylimidopentachloroniobate(V)","Di(N-propallyl-phenylammonium) phenylimidopentachloroniobate(V)","","- C24 H29 Cl5 N3 Nb -","- C24 H29 Cl5 N3 Nb -","- C96 H116 Cl20 N12 Nb4 -","4","2","BK1221","Polamo, M.; Leskelä, M.","Phenylimidopentachloroniobate(V) Dianion with <i>N</i>-Allylphenylammonium Counterion","Acta Crystallographica Section C","1996","52","7","1631","1634","10.1107/S0108270196003319","","","0.71069","MoKα","","0.0843","0.065","","0.15","0.1403","","","","1.042","1.104","1.104","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2005090","12.062","0.005","11.652","0.004","10.304","0.004","90","","94.13","0.03","90","","1444.4","1","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O4 S -","- C17 H12 O4 S -","- C68 H48 O16 S4 -","4","1","BK1226","Chen, Y.-S.; Khan, M.; Rao, S. N.; Krishnaiah, M.; Raju, K. V. N.","3-[(2-Phenylsulfonyl)ethenyl]-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1996","52","7","1847","1849","10.1107/S0108270196003526","","","0.71073","MoKα","","","0.039","","","0.042","","","","","1.78","1.78","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005091","9.68","0.003","13.093","0.003","16.607","0.005","90","0.02","91.82","0.03","90","0.02","2103.7","1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)piperidinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C21 H26 Cl2 N2 O3 -","- C21 H26 Cl2 N2 O3 -","- C84 H104 Cl8 N8 O12 -","4","1","BM1046","Castellari, C.; Sabatino, P.","Anti-Inflammatory Drugs. III. Salts of Diclofenac with <i>N</i>-(2-Hydroxyethyl)piperidine, <i>N</i>-(2-Hydroxyethyl)morpholine and <i>N</i>-(2-Hydroxyethyl)piperazine","Acta Crystallographica Section C","1996","52","7","1708","1712","10.1107/S0108270196000571","","","0.71069","MoKα","","0.1544","0.0399","","0.1345","0.0961","","","","1.003","1.136","1.136","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005092","9.525","0.002","12.962","0.004","16.579","0.007","90","","91.81","0.03","90","","2045.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)morpholinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C20 H24 Cl2 N2 O4 -","- C20 H24 Cl2 N2 O4 -","- C80 H96 Cl8 N8 O16 -","4","1","BM1046","Castellari, C.; Sabatino, P.","Anti-Inflammatory Drugs. III. Salts of Diclofenac with <i>N</i>-(2-Hydroxyethyl)piperidine, <i>N</i>-(2-Hydroxyethyl)morpholine and <i>N</i>-(2-Hydroxyethyl)piperazine","Acta Crystallographica Section C","1996","52","7","1708","1712","10.1107/S0108270196000571","","","0.71069","MoKα","","0.0811","0.0428","","0.1208","0.1006","","","","1.035","1.102","1.102","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005093","9.681","0.005","13.083","0.004","16.582","0.005","90","0.03","91.66","0.04","90","0.03","2099.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-(2-hydroxyethyl)piperazinium[2-[(2,6-dichlorophenyl)amino]phenyl]acetate","","- C20 H25 Cl2 N3 O3 -","- C20 H25 Cl2 N3 O3 -","- C80 H100 Cl8 N12 O12 -","4","1","BM1046","Castellari, C.; Sabatino, P.","Anti-Inflammatory Drugs. III. Salts of Diclofenac with <i>N</i>-(2-Hydroxyethyl)piperidine, <i>N</i>-(2-Hydroxyethyl)morpholine and <i>N</i>-(2-Hydroxyethyl)piperazine","Acta Crystallographica Section C","1996","52","7","1708","1712","10.1107/S0108270196000571","","","0.71069","MoKα","","0.1858","0.0422","","0.159","0.1102","","","","1.011","1.185","1.185","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005094","9.391","0.002","11.14","0.002","20.373","0.004","90","","90","","90","","2131.3","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,2,3,4-tetrahydro-1,4-disulfinylphenanthrene","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C96 H80 O16 S16 -","8","1","BM1051","Martinez-Alcazar, M. P.; Fonseca, I.; Cano, F. H.","2,3-Dihydro-1,4-dithiaphenanthrene 1,4-Dioxide","Acta Crystallographica Section C","1996","52","7","1787","1789","10.1107/S0108270196001771","","","1.5418","CuKα","","0.0818","0.0435","","0.1058","0.0917","","","","0.883","1.023","1.023","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005095","8.611","0.001","9.848","0.001","9.948","0.001","68.96","0.015","68.3","0.015","89.18","0.015","724.71","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(3'-Methyl-2'-pyridyl)-3-(-m-bromophenyl)pyrrolidin-2,5-dione","","- C16 H13 Br N2 O2 -","- C16 H13 Br N2 O2 -","- C32 H26 Br2 N4 O4 -","2","1","BM1056","Karolak-Wojciechowska, J.; Kwiatkowski, W.; Obniska, J.; Zejc, A.","3-(<i>m</i>-Bromophenyl)-1-(3-methyl-2-pyridyl)pyrrolidin-2,5-dione","Acta Crystallographica Section C","1996","52","7","1808","1810","10.1107/S0108270196002028","","","1.54178","CuKα","","0.0757","0.0567","","0.1594","0.1399","","","","1.147","1.135","1.135","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005096","9.653","0.003","7.472","0.003","14.627","0.002","90","","107.08","0.02","90","","1008.5","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Cl6 O4 Sn2 -","- C8 H22 Cl6 O4 Sn2 -","- C16 H44 Cl12 O8 Sn4 -","2","0.5","BM1062","Genge, A. R. J.; Levason, W.; Reid, G.","Redetermination of [(μ-OEt)~2~{SnCl~3~(EtOH)}~2~]","Acta Crystallographica Section C","1996","52","7","1666","1668","10.1107/S0108270196002909","","","0.71073","MoKα","","0.0394","0.0247","","0.0315","0.0291","","","","1.28","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005097","4.785","0.002","7.097","0.002","7.851","0.003","89.71","0.02","87.53","0.03","73.54","0.02","255.44","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","Lead^II^ Iron^III^ Diphosphate","","- Fe2 O14 P4 Pb -","- Fe2 O14 P4 Pb -","- Fe2 O14 P4 Pb -","1","0.5","BR1123","Boutfessi, A.; Boukhari, A.; Holt, E. M.","Lead(II) Diiron(III) Pyrophosphate and Barium Diiron(III) Pyrophosphate","Acta Crystallographica Section C","1996","52","7","1594","1597","10.1107/S0108270196000340","","","0.71073","MoKα","","","0.0421","","","0.0534","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005098","10.586","0.002","10.463","0.002","9.685","0.002","90","","103.16","0.03","90","","1044.6","0.4","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Barium Iron^III^ Diphosphate","","- Ba Fe2 O14 P4 -","- Ba Fe2 O14 P4 -","- Ba4 Fe8 O56 P16 -","4","0.5","BR1123","Boutfessi, A.; Boukhari, A.; Holt, E. M.","Lead(II) Diiron(III) Pyrophosphate and Barium Diiron(III) Pyrophosphate","Acta Crystallographica Section C","1996","52","7","1594","1597","10.1107/S0108270196000340","","","0.71073","MoKα","","","0.0421","","","0.0534","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005099","13.628","0.003","13.628","0.003","9.096","0.002","90","","90","","120","","1463","0.6","293","","293","","","","","","","","","4","R 3 :H","R 3","146","Lithium Zinc Phosphate","","","- Li O4 P Zn -","- Li O4 P Zn -","- Li18 O72 P18 Zn18 -","18","2","BR1128","Bu, X.; Gier, T. E.; Stucky, G. D.","A New Form of Lithium Zinc Phosphate with an Ordered Phenakite Structure, LiZnPO~4~","Acta Crystallographica Section C","1996","52","7","1601","1603","10.1107/S0108270195015940","","","0.71073","MolybdenumKα","","0.024","0.024","","0.034","0.034","","","","","1.75","1.75","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005100","3.911","0.002","3.911","0.002","11.734","0.001","90","","90","","90","","179.48","0.13","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","Lanthanum barium copper oxide","","","- Ba1.5 Cu3 La1.5 O6.66 -","- Ba1.5 Cu3 La1.5 O6.64 -","- Ba1.5 Cu3 La1.5 O6.64 -","1","0.0625","BR1132","Hjorth, M.","Refinement of La~1.5~Ba~1.5~Cu~3~O~7{-~<i>x</i>} from a Twinned Crystal","Acta Crystallographica Section C","1996","52","7","1599","1601","10.1107/S0108270196001692","","","0.71073","MoKα","","0.0857","0.0327","","0.1135","0.0748","","","","1.067","1.141","1.141","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005101","10.5672","0.002","15.9577","0.0012","14.5196","0.0012","90","","90","","90","","2448.4","0.5","294","","294","","","","","","","","","4","P m n b","-P 2bc 2a","62","","Di(μ-hydrido)hexadecacarbonylpentaosmium","","- C16 H2 O16 Os5 -","- C18 O16 Os5 -","- C72 O64 Os20 -","4","0.5","BR1134","Leong, W. K.; Einstein, F. W. B.; Pomeroy, R. K.","[Os~5~(μ-H)~2~(CO)~16~]: a Second Crystal Form","Acta Crystallographica Section C","1996","52","7","1607","1609","10.1107/S0108270196000339","","","0.7107","MolybdenumKα","","0.051","0.051","","0.058","0.058","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005102","6.589","0.001","5.163","0.001","15.633","0.003","90","","91.99","0.03","90","","531.5","0.17","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Copper(II) Iron(III) Diphosphate","","- Cu Fe2 O14 P4 -","- Cu Fe2 O14 P4 -","- Cu2 Fe4 O28 P8 -","2","0.5","BR1137","Boutfessi, A.; Boukhari, A.; Holt, E. M.","Copper(II) Diiron(III) Pyrophosphate","Acta Crystallographica Section C","1996","52","7","1597","1599","10.1107/S0108270196000856","","","0.71073","MoKα","","","0.042","","","0.0541","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005103","7.241","0.002","6.214","0.001","8.643","0.001","90","","101.19","0.01","90","","381.5","0.13","295","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 As N O3 -","- C6 H7 As N O3 -","- C12 H14 As2 N2 O6 -","2","1","CF1008","Nuttall, R. H.; Hunter, W. N.","<i>p</i>-Arsanilic Acid, a Redetermination","Acta Crystallographica Section C","1996","52","7","1681","1683","10.1107/S010827019501657X","","","1.54178","CuKα","","","0.044","","","0.055","","","","","1.04","1.04","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005104","18.678","0.009","7.627","0.003","19.099","0.01","90","","116.6","0.04","90","","2433","2","198","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H30 I N Sn -","- C24 H30 I N Sn -","- C96 H120 I4 N4 Sn4 -","4","1","CF1055","Howie, R. A.; Wardell, J. L.","Trimethyl[3-(triphenylstannyl)propyl]ammonium Iodide","Acta Crystallographica Section C","1996","52","7","1668","1670","10.1107/S0108270196000881","","","0.71073","MoKα","","","0.043","","","0.043","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005105","5.739","0.003","14.237","0.002","18.644","0.002","90","","93.65","0.01","90","","1520.2","0.8","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,3-dichlor-4-(p-metoxyphenyl)-1-phenyl-2-azetidinone","","- C16 H13 Cl2 N O2 -","- C16 H13 Cl2 N O2 -","- C64 H52 Cl8 N4 O8 -","4","1","CF1057","Ercan, F.; Ülkü, D.; Güner, V.","3,3-Dichloro-4-(<i>p</i>-methoxyphenyl)-1-phenyl-2-azetidinone","Acta Crystallographica Section C","1996","52","7","1779","1780","10.1107/S0108270196002119","","","0.71073","MoKα","","","0.042","","","0.04","","","","","0.64","0.64","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005106","7.4402","0.0008","14.8767","0.0013","11.5652","0.0012","90","","105.539","0.009","90","","1233.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8,9,10,11-Tetrahydrobenz[c]acridine.","","- C17 H15 N -","- C17 H15 N -","- C68 H60 N4 -","4","1","CF1059","Ray, J. K.; Haldar, M. K.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K.","8,9,10,11-Tetrahydrobenz[<i>c</i>]acridine","Acta Crystallographica Section C","1996","52","7","1813","1815","10.1107/S0108270196002132","","","0.71073","MoKα","","0.0585","0.0429","","0.1356","0.1279","","","","1.064","1.187","1.187","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005107","8.193","0.005","10.546","0.006","11.092","0.006","90","","103.21","0.04","90","","933","0.9","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,3S,4R,5S,6S,7R,8S)-4-chloromethyl-3,4-diyhdroxy- 8-(4-hydroxymethacrylate)-1H,5H,6H,7H-guaia-10(14),11(13)-dien-6,12-olide,","","- C19 H23 Cl O7 -","- C19 H23 Cl O7 -","- C38 H46 Cl2 O14 -","2","1","CF1061","Mattern, G.; Weckert, E.; Youssef, D.; Frahm, A. W.","Absolute Configuration of Chlorojanerin, a Chlorine-Containing Guaianolide from <i>Centaurea scoparia</i>","Acta Crystallographica Section C","1996","52","7","1791","1793","10.1107/S0108270196000741","","","0.71073","MoKα","","0.0381","0.0354","","0.0367","0.0366","","","","2.27","2.34","2.34","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005108","7.2382","0.0005","15.9407","0.0014","13.152","0.0011","90","","93.473","0.007","90","","1514.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-Diazafluren-9-one Isonicotinoylhydrozone Monohydrate.","","- C17 H13 N5 O2 -","- C17 H13 N5 O2 -","- C68 H52 N20 O8 -","4","1","CF1063","Lu, Z.-L.; Shan, B.-Z.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","4,5-Diaza-9-fluorenone Isonicotinoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","7","1720","1722","10.1107/S0108270196002144","","","0.71073","MoKα","","0.0615","0.0404","","0.1149","0.1063","","","","0.966","1.088","1.088","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005109","16.949","0.002","17.907","0.002","19.662","0.003","90","","90","","90","","5967.5","1.3","294","1","294","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(α-Ferrocenylphenacyl)triphenylphosphonium iodide","","- C36 H30 Fe I O P -","- C36 H30 Fe I O P -","- C288 H240 Fe8 I8 O8 P8 -","8","1","CF1086","Ahmed, S. Z.; Glidewell, C.; Ferguson, G.","Racemic (α-Ferrocenylphenacyl)triphenylphosphonium Iodide","Acta Crystallographica Section C","1996","52","7","1634","1636","10.1107/S0108270196003538","","","0.7107","MolybdenumKα","","0.1953","0.0552","","0.1132","0.0911","","","","0.802","1.151","1.151","","","","","has coordinates","192293","2020-10-21","18:00:00",""
"2005110","6.209","0.002","5.023","0.001","10.457","0.003","90","","95.35","0.03","90","","324.71","0.16","160.95","","160.95","","","","","","","","","4","P 1 21 1","P 2yb","4","","p-nitrobenzaldehyde","","- C7 H5 N O3 -","- C7 H6 N O4 -","- C14 H12 N2 O8 -","2","1","CR1179","King, Jnr, J. A.; Bryant, Jnr, G. L.","<i>p</i>-Nitrobenzaldehyde","Acta Crystallographica Section C","1996","52","7","1691","1693","10.1107/S0108270196001254","","","0.71073","MoKα","","0.0619","0.0589","","0.0755","0.0755","","","","","4.39","4.39","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2005111","11.059","0.004","14.188","0.005","11.996","0.005","90","","102.39","0.03","90","","1838.4","1.2","300","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O4 -","- C23 H20 O4 -","- C92 H80 O16 -","4","1","DE1017","Mostafa, G.; Ray, S.; Singh, R.; Lahiri, S.","A Multichromophoric Bicyclo[2.2.2]octenone and a Photorearranged Ester Derivative","Acta Crystallographica Section C","1996","52","7","1747","1750","10.1107/S0108270195016696","","","0.7107","MoKα","","","0.047","","","0.052","","","","","1.169","1.169","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005112","6.63","0.003","21.78","0.006","14.759","0.005","90","","98.35","0.03","90","","2108.6","1.3","300","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O5 -","- C24 H24 O5 -","- C96 H96 O20 -","4","1","DE1017","Mostafa, G.; Ray, S.; Singh, R.; Lahiri, S.","A Multichromophoric Bicyclo[2.2.2]octenone and a Photorearranged Ester Derivative","Acta Crystallographica Section C","1996","52","7","1747","1750","10.1107/S0108270195016696","","","1.5418","CuKα","","","0.063","","","0.064","","","","","1.274","1.274","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005113","20.337","0.003","5.8139","0.0006","13.362","0.002","90","","105.97","0.02","90","","1518.9","0.4","295","2","","","","","","","","","","4","C 1 2 1","C 2y","5","","5'-O-Benzoyl-3'-deoxy-2'-keto-alpha-uridine","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","DE1026","Suresh, C. G.; Sakthivel, K.; Pathak, T.","5'-<i>O</i>-Benzoyl-2',3'-dideoxy-2'-oxo-α-uridine","Acta Crystallographica Section C","1996","52","7","1776","1779","10.1107/S0108270195017082","","","0.71069","MoKα","","0.0823","0.0365","","0.1057","0.0794","","","","0.714","0.776","0.776","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005114","4.8984","0.0004","8.3919","0.0008","7.034","0.001","90","","109.33","0.01","90","","272.83","0.07","294","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Li Mo O7 P2 -","- Li Mo O7 P2 -","- Li2 Mo2 O14 P4 -","2","1","","","LiMoP~2~O~7~","Acta Crystallographica C","1996","52","","1593","1594","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005115","9.666","0.001","8.062","0.001","12.996","0.001","90","","97.262","0.009","90","","1004.62","0.18","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H Ni O14 P5 -","- H Ni O14 P5 -","- H4 Ni4 O56 P20 -","4","1","DU1148","Olbertz, A.; Stachel, D.; Svoboda, I.; Fuess, H.","NiHP~5~O~14~ Ultraphosphate","Acta Crystallographica Section C","1996","52","7","1603","1605","10.1107/S0108270196000595","","","0.71093","MoKα","","0.0737","0.0302","","0.0729","0.0636","","","","1.023","1.066","1.066","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005116","8.042","0.0008","8.4045","0.0008","15.174","0.001","105.021","0.008","95.128","0.009","95.326","0.008","979.39","0.16","298","","298","","","","","","","","","8","P -1","-P 1","2","","trans-dichloloro-triethylphosphine-2-n-propylsulfinylpyridine-palladium(II)","","- C14 H26 Cl2 N O P Pd S -","- C14 H26 Cl2 N O P Pd S -","- C28 H52 Cl4 N2 O2 P2 Pd2 S2 -","2","1","FG1058","Rodrigues, A. M. G. D.; do Gambardella, M. T.; Francisco, R. H. P.; de Sousa, G. F.; Filgueiras, C. A. L.","<i>trans</i>-Dichloro(2-<i>n</i>-propylsulfinylpyridine-<i>N</i>)(triethylphosphine-<i>P</i>)palladium(II)","Acta Crystallographica Section C","1996","52","7","1641","1642","10.1107/S0108270196002478","","","0.71073","MoKα","","0.0612","0.0427","","0.0576","0.0476","","","","1.26","1.33","1.33","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005117","7.851","0.001","10.239","0.002","10.869","0.002","63.03","0.01","80.85","0.01","85.97","0.01","768.8","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","(4aα, 8α, 8aα)-(+,-)-Octahydro-8-(4-bromobenzoate)-1 (2H)-naphthalenone","","- C17 H19 Br O3 -","- C17 H19 Br O3 -","- C34 H38 Br2 O6 -","2","1","FG1079","Abboud, K. A.; Xie, Y.; Enholm, E. J.","A <i>cis</i>-Fused Decalone and a Bicyclo[4.3.1]decanone Ring System","Acta Crystallographica Section C","1996","52","7","1829","1831","10.1107/S0108270196000121","","","0.71073","MoKα","","0.0881","0.069","","0.0523","0.0476","","","","","1.41","1.41","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005118","12.01","","7.553","","12.134","","90","","110.34","","90","","1032.06","","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-endo-5-hydroxy-1-methylbicyclo[4.3.1.]decan-7-one","","- C11 H18 O2 -","- C11 H18 O2 -","- C44 H72 O8 -","4","1","FG1079","Abboud, K. A.; Xie, Y.; Enholm, E. J.","A <i>cis</i>-Fused Decalone and a Bicyclo[4.3.1]decanone Ring System","Acta Crystallographica Section C","1996","52","7","1829","1831","10.1107/S0108270196000121","","","0.71073","MoKα","","0.0771","0.0463","","0.0564","0.0526","","","","","1.55","1.55","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005119","16.445","0.002","6.3075","0.0006","21.092","0.003","90","","112.02","0.01","90","","2028.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-dimethyl-cis-dicloro-μ-bis{meso-1,2-di(phenylsulphinyl)ethane}-tin(IV)","","- C16 H20 Cl2 O2 S2 Sn -","- C16 H20 Cl2 O2 S2 Sn -","- C64 H80 Cl8 O8 S8 Sn4 -","4","1","FG1084","Carvalho, C. C.; Francisco, R. H. P.; do Gambardella, M. T.; de Sousa, G. F.; Filgueiras, C. A. L.","<i>catena</i>-Poly[<i>cis</i>-dichloro-<i>trans</i>-dimethyltin(IV)-μ-<i>meso</i>-1,2-bis(phenylsulfinyl)ethane-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1996","52","7","1629","1631","10.1107/S0108270196002466","","","0.71073","MoKα","","0.0577","0.0334","","0.1008","0.0836","","","","1.09","1.038","1.038","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005120","11.356","0.001","11.862","0.001","12.989","0.001","106.88","0.01","102.95","0.01","94.38","0.01","1612.8","0.3","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 Cu N4 O9 -","- C26 H36 Cu N4 O13 -","- C52 H72 Cu2 N8 O26 -","2","1","FG1104","Neves, A.; Vencato, I.; Verani, C. N.","Bis[2-(2-pyridylmethylaminomethyl)phenol]copper(II) Diacetate Trihydrate [Cu(HBPA)~2~](CH~3~COO)~2~.3H~2~O","Acta Crystallographica Section C","1996","52","7","1648","1651","10.1107/S0108270196000108","","","0.71073","Mo","","0.08","0.0609","","","0.0823","","","","","1.96","1.96","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005121","15.754","0.004","11.468","0.004","15.084","0.003","90","","108.97","0.02","90","","2577.2","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Pt(tpy)(MeIm)](ClO4)2.CH3CN","2,2':6',2''-Terpyridine(1-methylimidazole)platinum(II) Perchlorate Acetonitrile Solvate","","- C21 H20 Cl2 N6 O8 Pt -","- C21 H20 Cl2 N6 O8 Pt -","- C84 H80 Cl8 N24 O32 Pt4 -","4","1","FG1115","Roszak, A. W.; Clement, O.; Buncel, E.","2,2':6',2''-Terpyridine(1-methylimidazole-<i>N</i>^3^)platinum(II) Perchlorate Acetonitrile Solvate","Acta Crystallographica Section C","1996","52","7","1645","1648","10.1107/S0108270196001370","","","0.71069","MoKα","","0.0937","0.0382","","0.1239","0.0939","","","","1.006","1.091","1.091","","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:26",""
"2005122","12.365","0.003","13.192","0.003","13.373","0.002","90","","113.38","0.02","90","","2002.3","0.8","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl3 N3 Zn -","- C19 H20 Cl3 N3 Zn -","- C76 H80 Cl12 N12 Zn4 -","4","1","FG1168","Parvez, M.; Sabir, A. P.","Clemizoledichlorozinc(II)","Acta Crystallographica Section C","1996","52","7","1651","1653","10.1107/S0108270196003605","","","0.71069","MoKα","","","0.033","","","0.031","","","","","1.273","1.273","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005123","9.802","0.007","21.172","0.005","5.504","0.005","90","","90","","90","","1142.2","1.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-deoxy-α-D-erythropentopyranosyl) 1-(R),2-(R)-4,4- dimethylpyrazolidine-3,5-dione","","- C10 H16 N2 O5 -","- C10 H16 N2 O5 -","- C40 H64 N8 O20 -","4","1","FG1174","Kolb, V. M.; Colloton, P. A.; Robinson, P. D.; Lutfi, H. G.; Meyers, C. Y.","(1<i>R</i>,2<i>R</i>)-4,4-Dimethylpyrazolidine-3,5-dione-α-<small>D</small>-pyranosyl-2-deoxyriboside","Acta Crystallographica Section C","1996","52","7","1781","1784","10.1107/S0108270196004416","","","0.71069","MoKα","","","0.058","","","0.048","","","","","1.35","1.35","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005124","15.312","0.005","10.3","0.003","17.554","0.005","90","","93.68","0.03","90","","2762.8","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Bromodifluoromethyl)diphenylphosphine sulfide","","- C13 H10 Br F2 P S -","- C13 H10 Br F2 P S -","- C104 H80 Br8 F16 P8 S8 -","8","1","FG1182","Jones, P. G.","(Bromodifluoromethyl)diphenylphosphine Sulfide","Acta Crystallographica Section C","1996","52","7","1793","1795","10.1107/S0108270196004489","","","0.71073","MoKα","","0.0432","0.0313","","0.0856","0.0749","","","","1.065","1.043","1.043","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005125","4.098","0.003","25.665","0.002","12.989","0.003","90","","97.22","0.05","90","","1355.3","1.1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O3 S -","- C14 H11 N3 O3 S -","- C56 H44 N12 O12 S4 -","4","1","HA1152","Zhang, D.-C.; Zhang, Y.-Q.; Cao, Y.; Zhao, B.","1-Benzoyl-3-(4-nitrophenyl)thiourea","Acta Crystallographica Section C","1996","52","7","1716","1718","10.1107/S0108270196001047","","","0.7107","MoKα","","","0.034","","","0.044","","","","","1.63","1.63","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005126","11.614","0.014","5.288","0.005","10.602","0.015","90","","110.02","0.03","90","","611.8","1.3","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,6-bis(1,3-dioxolan-2-one)-2,5-dithiahexane","","- C10 H14 O6 S2 -","- C10 H14 O6 S2 -","- C20 H28 O12 S4 -","2","0.5","HA1158","Blake, A. J.; Parsons, S.; Richtzenhain, H.; Schröder, M.","2,5-Dithiahexane-1,6-diyl-4,4'-bis(1,3-dioxolan-2-one)","Acta Crystallographica Section C","1996","52","7","1699","1701","10.1107/S0108270196001515","","","0.71073","MoKα","","0.0903","0.0732","","0.1948","0.1749","","","","1.162","1.217","1.217","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005127","10.492","0.002","11.436","0.002","9.334","0.001","92.04","0.01","97.31","0.02","110.68","0.02","1035.4","0.3","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N3 S -","- C23 H25 N3 S -","- C46 H50 N6 S2 -","2","1","JZ1081","Ergin, Ö.; Sillanpää, R.; Yeşilada, A.","5-Benzylidene-8-ethylthiocarbamoyl-9-phenyl-7,8-diazabicyclo[4.3.0]non-6-ene","Acta Crystallographica Section C","1996","52","7","1770","1772","10.1107/S0108270195015794","","","0.71069","MoKα","","","0.037","","","0.044","","","","","1.46","1.46","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005128","6.689","0.006","8.79","0.009","9.447","0.008","95.23","0.09","104.88","0.07","92.21","0.06","533.5","0.9","153","2","153","2","","","","","","","","5","P -1","-P 1","2","TAPSO","3-(N-tris(hydroxymethyl) methylamino)-2-hydroxy-propanesulfonic acid","","- C7 H17 N O7 S -","- C7 H17 N O7 S -","- C14 H34 N2 O14 S2 -","2","1","JZ1092","Wouters, J.; Stalke, D.","TAPSO at Low Temperature","Acta Crystallographica Section C","1996","52","7","1684","1686","10.1107/S0108270196001199","","","0.71073","MoKα","","0.0461","0.0379","","0.1401","0.1001","","","","1.074","1.093","1.093","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005129","11.804","0.003","11.392","0.003","16.256","0.004","90","","90","","90","","2186","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","JZ1093","Wouters, J.; Häming, L.; Sheldrick, G.","HEPES","Acta Crystallographica Section C","1996","52","7","1687","1688","10.1107/S0108270196001187","","","1.54178","CuKα","","0.0501","0.0487","","0.1362","0.1334","","","","1.103","1.114","1.114","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005130","5.579","0.002","8.014","0.002","12.014","0.002","95.72","0.01","95.72","0.01","92.54","0.02","531","0.2","102","","","","","","","","","","","3","P -1","-P 1","2","","","","- C9 H21 P -","- C9 H21 P -","- C18 H42 P2 -","2","1","JZ1100","Bruckmann, J.; Krüger, C.","Tris(<i>n</i>-propyl)phosphine and Tris(isopropyl)phosphine","Acta Crystallographica Section C","1996","52","7","1733","1736","10.1107/S0108270195017100","","","0.71073","MoKα","","","0.051","","","0.068","","","","","1.73","1.73","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005131","8.622","0.003","14.368","0.002","8.928","0.002","90","","106.19","0.02","90","","1062.1","0.5","102","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H21 P -","- C9 H21 P -","- C36 H84 P4 -","4","1","JZ1100","Bruckmann, J.; Krüger, C.","Tris(<i>n</i>-propyl)phosphine and Tris(isopropyl)phosphine","Acta Crystallographica Section C","1996","52","7","1733","1736","10.1107/S0108270195017100","","","0.71073","MoKα","","","0.078","","","0.101","","","","","1.75","1.75","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005132","10.741","0.002","20.532","0.004","8.776","0.002","90","","90","","90","","1935.4","0.7","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","Bis(1,3-diaminopropane(diiodo)platinum(IV) Diiodide Dihydrate","","- C6 H24 I4 N4 O2 Pt -","- C6 H24 I4 N4 O2 Pt -","- C24 H96 I16 N16 O8 Pt4 -","4","0.25","JZ1105","Pajunen, A.; Oksanen, A.; Leskelä, M.","Bis(1,3-diaminopropane)diiodoplatinum(IV) Diiodide Dihydrate","Acta Crystallographica Section C","1996","52","7","1643","1645","10.1107/S0108270196002235","","","0.71073","MoKα","","0.055","0.0328","","0.0788","0.0741","","","","0.923","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005133","10.004","0.003","10.168","0.002","12.166","0.004","75.02","0.03","88.21","0.03","61.36","0.03","1042.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aquotriglycinecerium(III) hexacyanoferrate(III) monohydrate.","","- C24 H38 Ce2 Fe2 N18 O16 -","- C24 H38 Ce2 Fe2 N18 O16 -","- C24 H38 Ce2 Fe2 N18 O16 -","1","0.5","JZ1110","García-Granda, S.; Morales, A. D.; Ruíz, E. R.; Fernández Bertrán, J.","Aqua(hexacyanoferrato-<i>N</i>)bis(μ-glycine)glycinecerium(III) Monohydrate","Acta Crystallographica Section C","1996","52","7","1679","1681","10.1107/S0108270196003149","","","0.71073","MoKα","","0.0234","0.0188","","0.0486","0.0471","","","","1.083","1.097","1.097","","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2005134","8.699","0.001","26.465","0.001","7.769","0.001","90","","95.23","0.01","90","","1781.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(tert-butyl)-4-methyl-2-phenyl-3-[(trimethylsilyl)oxy]oxetane","3-(1,1-dimethylethyl)-4-methyl-2-phenyl-3-[(trimethylsilyl)oxy]oxacyclobutane","","- C17 H28 O2 Si -","- C17 H28 O2 Si -","- C68 H112 O8 Si4 -","4","1","JZ1113","Kotila, S.; Jäntti, A.; Penttinen, S.; Bach, T.","3-<i>tert</i>-Butyl-4-methyl-2-phenyl-3-(trimethylsilyloxy)oxetane and 2-(2-Benzyloxyphenyl)-3-<i>tert</i>-butyl-3-(trimethylsilyloxy)oxetane","Acta Crystallographica Section C","1996","52","7","1722","1725","10.1107/S0108270196002740","","","1.54178","CuKα","","0.061","0.055","","0.181","0.163","","","","1.075","1.096","1.096","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005135","14.701","0.002","10.153","0.001","15.42","0.002","90","","96.26","0.01","90","","2287.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(2-Benzyloxyphenyl)-3-(tert-butyl)-3-[(trimethylsilyl)oxy]oxetane","2-(2-benzyloxyphenyl)-3-(1,1-dimethylethyl)-3-[(trimethylsilyl)oxy]- oxacyclobutane","","- C23 H32 O3 Si -","- C23 H32 O3 Si -","- C92 H128 O12 Si4 -","4","1","JZ1113","Kotila, S.; Jäntti, A.; Penttinen, S.; Bach, T.","3-<i>tert</i>-Butyl-4-methyl-2-phenyl-3-(trimethylsilyloxy)oxetane and 2-(2-Benzyloxyphenyl)-3-<i>tert</i>-butyl-3-(trimethylsilyloxy)oxetane","Acta Crystallographica Section C","1996","52","7","1722","1725","10.1107/S0108270196002740","","","0.71073","MoKα","","0.072","0.046","","0.147","0.123","","","","1.052","1.073","1.073","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005136","7.237","0.002","10.434","0.001","17.45","0.002","90","","99.42","0.01","90","","1299.9","0.4","123","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Br N2 S Se -","- C11 H13 Br N2 S Se -","- C44 H52 Br4 N8 S4 Se4 -","4","1","KA1156","Billing, D. G.; Boeyens, J. C. A.; Lai, L.-L.; Reid, D. H.","5-Ethylamino-3-<i>p</i>-tolyl-1λ^4^,2,4-thiaselenazol-1-ylium Bromide: a New Heteroaromatic System","Acta Crystallographica Section C","1996","52","7","1718","1719","10.1107/S0108270195017252","","","0.71069","MoKα","","","0.0355","","","0.0969","","","","","0.983","0.983","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005137","3.916","0.0008","15.019","0.003","26.479","0.005","90","","94.83","0.02","90","","1551.8","0.5","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","Solvent Violet 13, Disperse Blue 72","1-hydroxy-4-[(4-methylphenyl)amino]-9,10-anthracenedione","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","2","KA1165","Yatsenko, A. V.; Zhukov, S. G.; Medvedev, S. V.; Stalnaya, T. V.","Phase Transition and Expected Non-Linear Polarizability of 1-Hydroxy-4-(4-methylphenylamino)-9,10-anthraquinone","Acta Crystallographica Section C","1996","52","7","1853","1856","10.1107/S0108270196000625","","","0.71073","MoKα","","0.1117","0.042","","0.0853","0.0692","","","","0.888","1.218","1.218","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005138","11.0672","0.0008","17.685","0.0012","12.0475","0.0008","90","","111.945","0.005","90","","2187.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","morusin","2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(3-methyl-2-butenyl)-4H-6,6-dimethylpyrano- [2,3-h]-1-benzopyran-4-one","","- C25 H24 O6 -","- C25 H24 O6 -","- C100 H96 O24 -","4","1","KA1170","Uchida, A.; Mizutani, H.; Ohshima, S.; Oonishi, I.; Hano, Y.; Fukai, T.; Nomura, T.","Morusin and Morusin Dimethyl Ether","Acta Crystallographica Section C","1996","52","7","1713","1716","10.1107/S0108270196001382","","","1.5418","CuKα","","0.08","0.0605","","0.2162","0.1848","","","","0.787","0.778","0.778","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005139","11.326","0.002","11.806","0.002","9.688","0.002","99.87","0.02","103.31","0.02","105.73","0.01","1175","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","morusindimethylether","2-(2,4-dimethoxyphenyl)-5-hydroxy-3-(3-methyl-2-butenyl)-4H-6,6-dimethylpyrano- [2,3-h]-1-benzopyran-4-one","","- C27 H28 O6 -","- C27 H28 O6 -","- C54 H56 O12 -","2","1","KA1170","Uchida, A.; Mizutani, H.; Ohshima, S.; Oonishi, I.; Hano, Y.; Fukai, T.; Nomura, T.","Morusin and Morusin Dimethyl Ether","Acta Crystallographica Section C","1996","52","7","1713","1716","10.1107/S0108270196001382","","","1.5418","CuKα","","0.0546","0.0495","","0.1539","0.1422","","","","0.699","0.693","0.693","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005140","10.08","0.007","12.972","0.007","19.874","0.013","90","","100.22","0.06","90","","2557","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dicyanamidebis(1,10-phenanthroline)copper(II) Tricyanomethanide.","","- C30 H16 Cu N10 -","- C30 H16 Cu N10 -","- C120 H64 Cu4 N40 -","4","1","KA1175","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L.","(Dicyanamido)bis(1,10-phenanthroline)copper(II) Tricyanomethanide","Acta Crystallographica Section C","1996","52","7","1653","1655","10.1107/S010827019600296X","","","0.71073","MoKα","","0.1095","0.0487","","0.1284","0.1013","","","","1.022","1.145","1.145","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005141","7.087","0.002","10.2878","0.0015","19.539","0.003","88.82","0.012","85.49","0.02","72.92","0.02","1357.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Sodium 1,12-dodecylene disulfate hydrate","","- C12 H25.33 Na2 O8.67 S2 -","- C12 H25.3333 Na2 O8.66667 S2 -","- C36 H76 Na6 O26 S6 -","3","1.5","KA1176","Rudert, R.; Czichocki, G.","Sodium 1,12-Dodecylene Disulfate Hydrate","Acta Crystallographica Section C","1996","52","7","1670","1673","10.1107/S0108270196003071","","","0.71073","MoKα","","0.0852","0.0504","","0.162","0.1366","","","","1.021","1.054","1.054","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005142","6.6813","0.0004","14.7787","0.0009","10.2608","0.0009","90","","96.29","0.02","90","","1007.06","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","His-Tyr dihydrochloride dihydrate","L-Histidyl-L-tyrosinium dichloride dihydrate","","- C15 H24 Cl2 N4 O6 -","- C15 H24 Cl2 N4 O6 -","- C30 H48 Cl4 N8 O12 -","2","1","KA1180","Steiner, Th.","<small>L</small>-Histidyl-<small>L</small>-tyrosinium Dichloride Dihydrate, C~15~H~20~N~4~O~4~^2+^.2Cl^{-^}.2H~2~O","Acta Crystallographica Section C","1996","52","7","1845","1847","10.1107/S0108270196002430","","","1.54176","CuKα","","0.0329","0.0257","","0.0825","0.066","","","","1.101","1.107","1.107","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005143","7.3732","0.0007","11.0354","0.0009","13.82","0.001","90","","90","","90","","1124.48","0.16","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N6 -","- C12 H10 N6 -","- C48 H40 N24 -","4","1","KH1014","Liou, L.-S.; Chen, P.-S.; Sun, C.-H.; Wang, J.-C.","An Orthorhombic Phase of 3,6-Di(2-pyridyl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section C","1996","52","7","1841","1843","10.1107/S0108270195016635","","","0.71073","MoKα","","","0.0313","","","0.0379","","","","","0.91","0.91","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005144","10.4375","0.0007","15.835","0.001","11.0997","0.0008","90","","104.151","0.006","90","","1778.9","0.2","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Cis-dichloro-trans-dimethyl-μ-(meso-1,2-bis(n-propilsulfinyl)ethane)tin(IV)]","","- C10 H24 Cl2 O2 S2 Sn -","- C10 H24 Cl2 O2 S2 Sn -","- C40 H96 Cl8 O8 S8 Sn4 -","4","1","KH1065","Carvalho, C. C.; Francisco, R. H. P.; do Gambardella, M. T.; de Sousa, G. F.; Filgueiras, C. A. L.","<i>catena</i>-Poly[<i>cis</i>-dichloro-<i>trans</i>-dimethyltin(IV)-μ-<i>meso</i>-1,2-bis(propylsulfinyl)ethane-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","1996","52","7","1627","1629","10.1107/S0108270196002090","","","0.7107","MoKα","","","0.0325","","","0.0927","","","","","1.098","1.098","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005145","6.713","0.003","12.602","0.004","10.869","0.006","90","","94.1","0.05","90","","917.1","0.7","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C40 H36 N4 O16 -","4","1","KH1080","Okabe, N.; Miura, J.; Shimosaki, A.","Kynurenic Acid Monohydrate","Acta Crystallographica Section C","1996","52","7","1827","1829","10.1107/S0108270196001734","","","0.71069","MoKα","","","0.096","","","0.079","","","","","1.62","1.62","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005146","9.089","0.002","9.418","0.003","12.575","0.008","89.45","0.04","105.25","0.03","91.85","0.02","1038","0.8","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 In O P -","- C22 H24 In O P -","- C44 H48 In2 O2 P2 -","2","1","KH1081","Wang, W.; Pan, Y.; Huang, X.; Sun, H.; Lu, Z.; Sun, X.","(5-Benzyldibenzo[<i>b</i>,<i>d</i>]phosphole 5-oxide)trimethylindium","Acta Crystallographica Section C","1996","52","7","1661","1663","10.1107/S0108270196001606","","","0.71073","MoKα","","","0.044","","","0.057","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005147","12.71","0.004","20.41","0.006","7.325","0.004","99.86","0.03","99.44","0.03","92.55","0.02","1841.6","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","8OCB","4'-octyloxy-4-cyanobiphenyl","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","2","KH1089","Hori, K.; Kurosaki, M.; Wu, H.; Itoh, K.","Two Crystal Forms of 4'-octyloxy-4-cyanobiphenyl (8OCB)","Acta Crystallographica Section C","1996","52","7","1751","1754","10.1107/S0108270196003447","","","1.5418","CuKα","","0.2183","0.0845","","0.3781","0.2315","","","","0.911","0.906","0.906","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005148","8.551","0.003","36.14","0.01","5.857","0.002","90","","95.09","0.03","90","","1802.9","1","243","2","243","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","8OCB","4'-octyloxy-4-cyanobiphenyl","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","KH1089","Hori, K.; Kurosaki, M.; Wu, H.; Itoh, K.","Two Crystal Forms of 4'-octyloxy-4-cyanobiphenyl (8OCB)","Acta Crystallographica Section C","1996","52","7","1751","1754","10.1107/S0108270196003447","","","0.7107","MoKα","","0.1004","0.0674","","0.2524","0.2313","","","","0.682","0.735","0.735","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005149","10.004","0.001","10.273","0.001","14.719","0.001","90","","90","","90","","1512.7","0.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 S -","- C15 H20 O4 S -","- C60 H80 O16 S4 -","4","1","LI1145","Zukerman-Schpector, J.; Monteiro, H. J.","Intermediates in the Synthesis of (+)-Grandisol. I","Acta Crystallographica Section C","1996","52","7","1767","1770","10.1107/S0108270196004222","","","0.71073","MoKα","","0.1035","0.0681","","0.2031","0.1613","","","","1.119","1.11","1.11","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005150","7.64","0.001","9.842","0.001","11.059","0.001","116.16","0.01","100.76","0.01","90.26","0.01","729.69","0.16","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 O4 S -","- C15 H20 O4 S -","- C30 H40 O8 S2 -","2","1","LI1145","Zukerman-Schpector, J.; Monteiro, H. J.","Intermediates in the Synthesis of (+)-Grandisol. I","Acta Crystallographica Section C","1996","52","7","1767","1770","10.1107/S0108270196004222","","","0.71073","MoKα","","0.0578","0.0448","","0.1304","0.1152","","","","1.084","1.063","1.063","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005151","9.36","0.002","9.845","0.002","15.216","0.004","85.18","0.02","77.79","0.02","63.75","0.02","1229","0.5","118","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O6 V -","- C28 H28 N2 O7 V -","- C56 H56 N4 O14 V2 -","2","1","MU1216","Hope, H.; Borer, L. L.","5,5'-(2-Hydroxy-1,3-propandiyldiamino)bis(1-phenyl-1,3-hexanedionato-<i>O</i>,<i>O</i>')oxovanadium(IV), [VO(C~27~H~28~N~2~O~5~)]","Acta Crystallographica Section C","1996","52","7","1621","1624","10.1107/S0108270196002636","","","1.54178","CuKα","","0.0908","0.065","","0.1668","0.147","","","","","1.054","1.054","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2005152","14.15","0.003","6.257","0.002","12.433","0.002","90","","109.4","0.01","90","","1038.3","0.4","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,5,6,7,8,9-Hexahydro-10-hydroxy-5,9-methano-4H-thieno[3,2-c]azonine, C~11~H~15~NOS","","- C11 H15 N O S -","- C11 H15 N O S -","- C44 H60 N4 O4 S4 -","4","1","MU1226","Kozísek, J.; Berkes, D.; Svoboda, I.; Decroix, B.","5,6,7,8,9,10-Hexahydro-10-hydroxy-5,9-methano-4<i>H</i>-thieno[3,2-<i>c</i>]azonine","Acta Crystallographica Section C","1996","52","7","1825","1826","10.1107/S0108270196002612","","","0.71069","MoKα","","0.0329","0.0305","","0.0831","0.0812","","","","1.082","1.096","1.096","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005153","9.3096","0.0008","7.9319","0.0009","10.4302","0.0008","90","","95.297","0.007","90","","766.91","0.12","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Co N2 O10 -","- C14 H12 Co N2 O10 -","- C28 H24 Co2 N4 O20 -","2","0.5","MU1229","Okabe, N.; Miura, J.; Shimosaki, A.","A Hydrated Cobalt(II) Complex of Quinolinic Acid: <i>trans</i>-[Co(C~7~H~4~NO~4~)~2~(H~2~O)~2~]","Acta Crystallographica Section C","1996","52","7","1610","1612","10.1107/S0108270196002314","","","0.71069","MoKα","","","0.032","","","0.056","","","","","2.73","2.73","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005154","9.57","0.002","15.15","0.004","14.602","0.002","90","","99.21","0.02","90","","2089.8","0.8","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cd Cl2 N4 -","- C24 H16 Cd Cl2 N4 -","- C96 H64 Cd4 Cl8 N16 -","4","1","MU1246","Wang, H.; Xiong, R.-G.; Chen, H.-Y.; Huang, X.-Y.; You, X.-Z.","<i>cis</i>-Dichlorobis(1,10-phenanthroline-<i>N</i>^1^,<i>N</i>^10^)cadmium(II)","Acta Crystallographica Section C","1996","52","7","1658","1661","10.1107/S0108270196002326","","","0.71069","MoKα","","","0.04","","","0.053","","","","","1.63","1.63","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005155","16.363","0.002","5.8964","0.0004","16.347","0.001","90","","96.84","0.01","90","","1566","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Pentafluorophhenyl)diphenylphosphine.","","- C18 H10 F5 P -","- C18 H10 F5 P -","- C72 H40 F20 P4 -","4","1","MU1247","bin Shawkataly, O.; Chong, M.-L.; Fun, H.-K.; Sivakumar, K.","(Pentafluorophenyl)diphenylphosphine","Acta Crystallographica Section C","1996","52","7","1725","1727","10.1107/S0108270196001540","","","0.71073","MoKα","","0.0759","0.0402","","0.1266","0.1027","","","","0.921","0.972","0.972","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005156","8.222","0.002","12.244","0.003","17.277","0.004","90","","99","0.01","90","","1717.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-Methoxycarbonylamino-3,3-diphenylpropionate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","MU1257","Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","Methyl 2-Methoxycarbonylamino-3,3-diphenylpropionate, an Interesting Diphenylalanine (DIP) Derivative","Acta Crystallographica Section C","1996","52","7","1789","1791","10.1107/S0108270196004052","","","0.71073","MoKα","","0.2105","0.0742","","0.2042","0.1431","","","","1.015","1.234","1.234","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005157","12.533","0.002","7.6536","0.0009","16.804","0.002","90","","101.03","0.01","90","","1582.1","0.4","293","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C15 H25 N3 O2 -","- C15 H25 N3 O2 -","- C60 H100 N12 O8 -","4","1","NA1214","Saviano, M.; Lombardi, A.; Pavone, V.; Yamada, T.; Yanagi, T.; Iwamoto, A.; Kuwata, S.","A Racemic Bicyclic Acylamidine from a Tripeptide Derivative","Acta Crystallographica Section C","1996","52","7","1705","1708","10.1107/S0108270196001102","","","1.54056","CuKα","","","0.045","","","0.042","","","","","0.802","0.802","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:26",""
"2005158","9.835","0.001","13.484","0.001","5.44","0.001","93.51","0.01","93.68","0.01","91.462","0.01","718.27","0.16","293","","20","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C30 H28 N4 O4 S2 -","2","1","NA1222","Cao, Y.; Zhao, B.; Zhang, Y.-Q.; Zhang, D.-C.","1-Benzoyl-3-(4-methoxyphenyl)thiourea","Acta Crystallographica Section C","1996","52","7","1772","1774","10.1107/S0108270196001989","","","0.7107","MoKα","","","0.033","","","0.048","","","","","1.51","1.51","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005159","10.156","0.001","10.751","0.002","13.007","0.002","90","","90","","90","","1420.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Z-2-Phenyl-4-[(S)-2,2-dimethyl-1,3-dioxolan-4-ylmethylen]-5(4H)-oxazolone.","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","NA1223","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.","(<i>Z</i>)-4-[(<i>S</i>)-2,2-Dimethyl-1,3-dioxolan-4-ylmethylidene]-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","1996","52","7","1810","1813","10.1107/S0108270196004246","","","0.71073","MoKα","","0.0742","0.0483","","0.1561","0.1363","","","","1.051","1.086","1.086","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005160","4.809","0.003","17.846","0.004","8.825","0.005","90","","93.68","0.03","90","","755.8","0.7","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N3 O3 -","- C14 H19 N3 O3 -","- C28 H38 N6 O6 -","2","1","NA1224","Puliti, R.; De Sena, C.; Mattia, C. A.","<i>N</i>-Acetyl-<small>L</small>-phenylalanyl-<small>L</small>-alaninamide","Acta Crystallographica Section C","1996","52","7","1820","1823","10.1107/S0108270196002910","","","1.54056","CuKα","","","0.047","","","0.045","","","","","0.93","0.93","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005161","5.222","0.001","5.406","0.001","10.838","0.002","90.89","0.01","92.34","0.01","110.02","0.01","287.09","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","DL-Valine","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C10 H22 N2 O4 -","2","1","NA1226","Dalhus, B.; Görbitz, C. H.","Triclinic Form of <small>DL</small>-Valine","Acta Crystallographica Section C","1996","52","7","1759","1761","10.1107/S0108270196002491","","","0.71069","MoKα","","0.0478","0.0452","","0.1201","0.1177","","","","1.141","1.163","1.163","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005162","9.441","0.002","5.222","0.001","11.337","0.004","90","","109","0.02","90","","528.5","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-cysteine","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","2","NA1229","Görbitz, C. H.; Dalhus, B.","<small>L</small>-Cysteine, Monoclinic Form, Redetermination at 120K","Acta Crystallographica Section C","1996","52","7","1756","1759","10.1107/S0108270196003952","","","0.71069","MoKα","","0.0323","0.0311","","0.0836","0.0825","","","","1.066","1.071","1.071","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:26",""
"2005163","9.743","0.006","19.027","0.004","6.973","0.003","90","","100.68","0.04","90","","1270.3","1","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl N3 O4 S2 -","- C7 H10 Cl N3 O4 S2 -","- C28 H40 Cl4 N12 O16 S8 -","4","1","PA1190","Pedregosa, J. C.; Borrás, J.; Fustero, S.; García-Granda, S.; Díaz, M. R.","A New Precursor of 1,3,4-Thiadiazolesulfonamides: 5-<i>tert</i>-Butyloxycarbonylamino-1,3,4-thiadiazole-2-sulfonyl Chloride","Acta Crystallographica Section C","1996","52","7","1849","1851","10.1107/S0108270196000017","","","0.71073","MoKα","","","0.036","","","0.036","","","","","2.027","2.027","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005164","33.979","0.007","6.398","0.001","16.999","0.003","90","","71.69","0.03","90","","3508.4","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Chromen","3,3-diphenyl-[3H]-naphto[2,1-b]pyrane","","- C25 H18 O -","- C25 H18 O -","- C200 H144 O8 -","8","1","PA1201","Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R.","Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes","Acta Crystallographica Section C","1996","52","7","1834","1838","10.1107/S0108270195016209","","","0.71069","MoKα","","0.0633","0.05","","0.0633","0.05","","","","1.052","1.052","1.052","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005165","12.554","0.008","10.631","0.007","17.393","0.009","90","","106.12","0.02","90","","2230","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Chromen","1,3,3-triphenyl-[3H]-naphto[2,1-b]pyrane","","- C31 H22 O -","- C31 H22 O -","- C124 H88 O4 -","4","1","PA1201","Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R.","Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes","Acta Crystallographica Section C","1996","52","7","1834","1838","10.1107/S0108270195016209","","","0.71069","MoKα","","0.226","0.051","","0.226","0.051","","","","1.16","1.701","1.701","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005166","10.531","0.006","21.637","0.009","8.55","0.007","90","","99.98","0.02","90","","1919","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Chromen","3,3-diphenyl-8,9-pentamethyl-[3H]-furano[3,2-f]chromene or 7,7-diphenyl-[7H]-benzofurano[2,3-g]chromene","","- C27 H18 O2 -","- C27 H18 O2 -","- C108 H72 O8 -","4","1","PA1201","Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R.","Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes","Acta Crystallographica Section C","1996","52","7","1834","1838","10.1107/S0108270195016209","","","1.54178","CuKα","","0.0551","0.0432","","0.0551","0.0432","","","","0.75","0.75","0.75","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005167","6.933","0.002","22.519","0.004","7.408","0.002","90","","94.6","0.03","90","","1152.8","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","γ-Lactone","methyl 11-oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","PA1219","Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.","γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","Acta Crystallographica Section C","1996","52","7","1695","1699","10.1107/S010827019600193X","","","1.5418","CuKα","","0.0479","0.0479","","0.0479","0.0479","","","","0.71","0.71","0.71","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005168","7.116","0.002","23.074","0.004","7.266","0.002","90","","100.45","0.03","90","","1173.2","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","γ-Lactone","methyl 11-oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","PA1219","Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.","γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","Acta Crystallographica Section C","1996","52","7","1695","1699","10.1107/S010827019600193X","","","1.5418","CuKα","","0.0424","0.0424","","0.0424","0.0424","","","","0.64","0.64","0.64","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005169","7.147","0.002","23.199","0.004","7.357","0.002","90","","100.5","0.03","90","","1199.4","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","γ-Lactone","methyl 9-oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","PA1219","Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.","γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate","Acta Crystallographica Section C","1996","52","7","1695","1699","10.1107/S010827019600193X","","","1.5418","CuKα","","0.0442","0.0442","","0.0442","0.0442","","","","0.66","0.66","0.66","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005170","14.424","0.004","14.424","0.004","9.996","0.006","90","","90","","120","","1801.1","1.3","120","2","120","2","","","","","","","","4","P 61","P 61","169","","","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","PA1220","Görbitz, C. H.; Gundersen, E.","<small>L</small>-Valyl-<small>L</small>-alanine","Acta Crystallographica Section C","1996","52","7","1764","1767","10.1107/S0108270196002302","","","0.71069","MoKα","","0.2111","0.0854","","0.1685","0.1326","","","","0.954","1.257","1.257","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005171","9.562","0.002","5.301","0.001","14.519","0.003","90","","94.2","0.02","90","","734","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-leucine","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","PA1221","Görbitz, C. H.; Dalhus, B.","Redetermination of <small>L</small>-Leucine at 120K","Acta Crystallographica Section C","1996","52","7","1754","1756","10.1107/S0108270196002296","","","0.71069","MoKα","","0.0491","0.0435","","0.1044","0.1015","","","","1.086","1.116","1.116","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005172","6.2084","0.0007","13.0294","0.0014","15.0456","0.0011","90","","95.709","0.006","90","","1211","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Isopropylamino)-4-methyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C10 H14 N4 O2 S -","- C10 H14 N4 O2 S -","- C40 H56 N16 O8 S4 -","4","1","PA1225","Dupont, L.; Pirotte, B.; de Tullio, P.; Delarge, J.","3-Isopropylamino-4-methyl-4<i>H</i>-pyrido[4,3-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide","Acta Crystallographica Section C","1996","52","7","1741","1743","10.1107/S0108270196001941","","","1.5418","CuKα","","0.0588","0.0465","","0.1519","0.1458","","","","1.072","1.186","1.186","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005173","31.067","0.005","4.717","0.001","9.851","0.002","90","","91.37","0.02","90","","1443.2","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","DL-Norleucine","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C48 H104 N8 O16 -","8","1","PA1228","Dalhus, B.; Görbitz, C. H.","<small>DL</small>-Norleucine, β Form at 120K","Acta Crystallographica Section C","1996","52","7","1761","1764","10.1107/S0108270196003642","","","0.71069","MoKα","","0.1023","0.0572","","0.121","0.1075","","","","0.914","1.035","1.035","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005174","22.934","0.005","21.728","0.004","11.217","0.002","90","","90","","90","","5589.5","1.9","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,9-Di(hydroxymethyl)-3',4,11-trimethoxy-5'-[2''-hydroxy-5''- hydroxymethyl-3''-methoxyphenyl]dibenzo[d,f][1,3]dioxepin-2-spiro- 4'-cyclohexa-2',5'-dienone","","- C31 H30 O11 -","- C31 H30 O11 -","- C248 H240 O88 -","8","1","PA1229","Pajunen, A.; Karhunen, P.; Brunow, G.","5'-(2-Hydroxy-5-hydroxymethyl-3-methoxyphenyl)-6,9-bis(hydroxymethyl)-3',4,11-trimethoxydibenzo[<i>d</i>,<i>f</i>][1,3]dioxepine-2-spiro-4'-cyclohexa-2',5'-dienone","Acta Crystallographica Section C","1996","52","7","1815","1817","10.1107/S0108270196003654","","","0.71073","MoKα","","0.0927","0.0547","","0.1379","0.1259","","","","0.861","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005175","10.788","0.006","8.748","0.004","8.966","0.004","103.91","0.04","111.14","0.03","103.85","0.05","714.7","0.7","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C12 H44 Co N8 O16 P3 -","- C12 H44 Co N8 O16 P3 -","- C12 H44 Co N8 O16 P3 -","1","1","PT1022","Bacchi, A.; Ferranti, F.; Pelizzi, G.","Conformation and Packing of Cobalt(III) Sepulchrate Dihydrogentriphosphate Hexahydrate","Acta Crystallographica Section C","1996","52","7","1624","1627","10.1107/S0108270196001412","","","0.7107","MoKα","","","0.0278","","","0.038","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005176","11.721","0.003","15.778","0.002","20.879","0.004","90","0.02","90","0.02","90","0.02","3861.2","1.3","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C42 H42 O5 S2 -","- C42 H42 O5 S2 -","- C168 H168 O20 S8 -","4","1","PT1030","Kabaleeswaran, V.; Rajan, S. S.; Kannan, A.; Rajakumar, P.","A New Cyclophane","Acta Crystallographica Section C","1996","52","7","1729","1731","10.1107/S0108270196001400","","","1.5418","CuKα","","0.095","0.07","","0.101","0.077","","","","1.11","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005177","7.259","0.001","12.204","0.002","30.275","0.003","90","","90.779","0.009","90","","2681.8","0.6","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 Cl3 O2 -","- C7 H3 Cl3 O2 -","- C84 H36 Cl36 O24 -","12","3","PT1041","Lalancette, R. A.; Stringer, J. A.; Coté, M. L.","2,4,6-Trichlorobenzoic Acid: Structure and Hydrogen-Bonding Pattern","Acta Crystallographica Section C","1996","52","7","1801","1804","10.1107/S0108270196001369","","","0.71073","MoKα","","","0.045","","","0.047","","","","","1.03","1.03","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005178","13.671","0.003","13.671","0.003","11.4","0.003","90","","90","","120","","1845.2","0.8","223","","223","","","","","","","","","6","P 63","","","","dibromo(tris(diphenylamido)niobium(V)","","- C40 H38 Br2 N3 Nb O -","- C54 H30 Br2 N3 Nb -","- C108 H60 Br4 N6 Nb2 -","2","0.333333","SK1001","Hoffman, D. M.; Rangarajan, S. P.","A Diphenylamido‒Bromide Complex of Niobium: Dibromo[tris(diphenylamido)]niobium(V) Tetrahydrofuran Solvate","Acta Crystallographica Section C","1996","52","7","1616","1618","10.1107/S010827019600087X","","","0.71073","MolybdenumKα","","","0.029","","","0.026","","","","","2.2","2.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005179","13.473","0.002","25.444","0.004","16.158","0.004","90","","100.01","0.02","90","","5454.8","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PNP tetrakis(pentafluorphenyl)gallat","Bis(triphenylphosphin)iminium tetrakis(pentafluorphenyl)gallat","","- C60 H30 F20 Ga N P2 -","- C60 H30 F20 Ga N P2 -","- C240 H120 F80 Ga4 N4 P8 -","4","1","SK1002","Tebbe, K.-F.; Gilles, T.; Conrad, F.; Tyrra, W.","Bis(triphenylphosphin)iminium-Tetrakis(pentafluorphenyl)gallat","Acta Crystallographica Section C","1996","52","7","1663","1666","10.1107/S0108270196001321","","","0.71069","MoKα","","0.2127","0.0741","","0.0871","0.0607","","","","0.986","1.218","1.218","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005180","9.808","0.001","11.591","0.002","17.86","0.001","90","","90","","90","","2030.4","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-biphenol monohydrate","","- C12 H12 O3 -","- C12 H12 O3 -","- C96 H96 O24 -","8","1","SK1012","Chen, X.-M.; Luo, G.-B.; Tong, M.-L.; Zhou, Z.-Y.","2,2'-Biphenol Monohydrate","Acta Crystallographica Section C","1996","52","7","1727","1729","10.1107/S0108270196002065","","","0.71073","MoKα","","0.0772","0.0474","","0.1422","0.1211","","","","1.022","1.084","1.084","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005181","10.903","0.001","10.903","0.001","14.813","0.002","90","","90","","90","","1760.9","0.3","173","1","173","1","","","","","","","","3","P 41","P 4w","76","","1,2:5,6-di-O-isopropylidene-3-C-ethoxycarbonylmethyl-α-D-allofuranose","","- C16 H26 O7 -","- C16 H26 O7 -","- C64 H104 O28 -","4","1","SX1012","Linden, A.; Lee, C. K.; Siew, K. F.","3-Deoxy-3-<i>C</i>-ethoxycarbonylmethyl-1,2:5,6-di-<i>O</i>-isopropylidene-α-<small>D</small>-allofuranose at 173K","Acta Crystallographica Section C","1996","52","7","1797","1799","10.1107/S0108270196001151","","","0.71069","MoKα","","0.0655","0.0418","","0.0377","0.0353","","","","","1.733","1.733","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005182","11.002","0.004","12.962","0.005","13.643","0.006","103.94","0.03","92.1","0.03","97.31","0.03","1868.4","1.3","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C72 H66 N18 O24 -","6","3","SZ1002","Singh, P.; Izydore, R. A.","1,2-Diacetyl-4-phenyl-1,2,4-triazolidine-3,5-dione","Acta Crystallographica Section C","1996","52","7","1817","1820","10.1107/S0108270196000947","","","0.71073","MoKα","","","0.067","","","0.078","","","","","1.3","1.3","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005183","9.811","0.003","12.845","0.002","22.107","0.003","90","","96.65","0.03","90","","2767.2","1","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C112 H96 N16 O24 S8 -","8","2","SZ1026","Pomés Hernández, R.; Duque Rodríguez, J.; Novoa de Armas, H.; Toscano, R. A.","Ethyl Cyano(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate","Acta Crystallographica Section C","1996","52","7","1731","1733","10.1107/S0108270195017227","","","0.71073","MoKα","","","0.06","","","0.114","","","","","1.12","1.12","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005184","9.937","0.004","9.192","0.001","14.417","0.003","90","","90","","90","","1316.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-chlorobenzimidazole","","","- C7 H5 Cl N2 -","- C7 H5 Cl N2 -","- C56 H40 Cl8 N16 -","8","1","SZ1041","Panneerselvam, K.; Soriano-García, M.","2-Chlorobenzimidazole","Acta Crystallographica Section C","1996","52","7","1799","1801","10.1107/S0108270195017203","","","1.54178","CuKα","","0.0499","0.0482","","0.1736","0.1515","","","","1.231","1.259","1.259","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005185","6.322","0.001","13.476","0.001","9.115","0.002","90","","106.54","0.01","90","","744.4","0.2","213","1","213","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H11 Br4 N O2 -","- C12 H11 Br4 N O2 -","- C24 H22 Br8 N2 O4 -","2","1","TA1058","Banwell, M. G.; Forman, G. S.; Hockless, D. C. R.","(3a<i>R</i>,3b<i>S</i>,4a<i>R</i>,4b<i>R</i>,5a<i>R</i>,5b<i>S</i>)-4,4,8,8-Tetrabromo-2,2-dimethylperhydrodicyclopropa[<i>e</i>,<i>g</i>][1,3]benzodioxole-3b-carbonitrile","Acta Crystallographica Section C","1996","52","7","1804","1806","10.1107/S0108270195015319","","","1.5418","CuKα","","","0.0272","","","0.0325","","","","","2.798","2.798","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005186","7.623","0.002","9.046","0.002","15.768","0.003","80.06","0.02","86.19","0.02","72.03","0.01","1018.7","0.4","213","1","213","1","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H24 Br N O6.5 -","- C21.5 H27 Br N O7 -","- C43 H54 Br2 N2 O14 -","2","1","TA1059","Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.","A C(10)-Oxygenated <i>ABC</i>-Ring Analogue of Paclitaxel (Taxol^T^^M^)","Acta Crystallographica Section C","1996","52","7","1832","1834","10.1107/S0108270195015332","","","1.5418","CuKα","","","0.0366","","","0.0461","","","","","2.904","2.904","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005187","5.894","0.002","7.234","0.003","8.307","0.003","90.68","0.03","102.81","0.03","103.45","0.03","335.1","0.2","158","2","158","2","","","","","","","","5","P -1","-P 1","2","5-BAP hydrochloride","2-Amino-5-bromopyrimidinium chloride","","- C4 H5 Br Cl N3 -","- C4 H5 Br Cl N3 -","- C8 H10 Br2 Cl2 N6 -","2","1","TA1066","Prince, B. J.; Turnbull, M. M.","2-Amino-5-bromopyrimidinium Chloride","Acta Crystallographica Section C","1996","52","7","1843","1844","10.1107/S0108270195016751","","","0.71073","MoKα","","0.116","0.063","","0.318","0.1365","","","","1.05","0.998","0.998","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005188","18.749","0.004","8.025","0.002","15.115","0.003","90","","95.84","0.02","90","","2262.4","0.9","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5,8,11,14-tetraoxa-2,17-dithiabicyclo[16.4.1]tricosa- 1(22),18,20-trien-23-one HgCl~2~ complex","","- C17 H24 Cl2 Hg O5 S2 -","- C17 H24 Cl2 Hg O5 S2 -","- C68 H96 Cl8 Hg4 O20 S8 -","4","1","TA1067","Kubo, K.; Mori, A.; Kato, N.; Takeshita, H.","Preferential Coordination of Mercury(II) to Oxygen over Sulfur Atoms in a Tropone-Attached Dithiocrown Ether","Acta Crystallographica Section C","1996","52","7","1656","1658","10.1107/S0108270196002077","","","1.54184","CuKα","","0.0777","0.0635","","0.1909","0.16","","","","1.136","1.119","1.119","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005189","10.387","0.005","17.411","0.007","8.1633","0.0008","90","","90","","90","","1476.3","0.9","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C60 H68 N12 O12 -","4","1","TA1079","Hirayama, N.; Arai, H.; Kasai, M.","Structural Studies of Mitomycins. VII. Mitomycin G","Acta Crystallographica Section C","1996","52","7","1806","1808","10.1107/S0108270196000807","","","1.54184","CuKα","","","0.043","","","0.063","","","","","2.22","2.22","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005190","11.641","0.006","12.245","0.008","26.446","0.005","90","","90","","90","","3770","3","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cl2 P4 Ru -","- C40 H40 Cl2 P4 Ru -","- C160 H160 Cl8 P16 Ru4 -","4","1","TA1085","Hockless, D. C. R.; Wild, S. B.; McDonagh, A. M.; Whittall, I. R.; Humphrey, M. G.","<i>trans</i>-Dichlorobis[(<i>R</i>,<i>R</i>)-1,2-phenylenebis(methylphenylphosphine-<i>P</i>)]ruthenium(II)","Acta Crystallographica Section C","1996","52","7","1639","1641","10.1107/S0108270196003009","","","0.7107","MoKα","","","0.0251","","","0.019","","","","","1.874","1.874","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005191","10.664","0.003","14.088","0.005","12.494","0.002","90","","110.6","0.1","90","","1757","1.4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{1-[(2-Hydroxy-4-methylphenyl)iminomethyl]phenyl-2-olato-O,O',N}- piperidinenickel(II)","","- C19 H22 N2 Ni O2 -","- C19 H22 N2 Ni O2 -","- C76 H88 N8 Ni4 O8 -","4","1","AB1328","Atakol, O.; Kenar, A.; Ercan, F.; Sari, M.; Yaugbasan, R.","{4-Methyl-2-[(2-oxidobenzylidene)amino]phenol-ato(2–)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1996","52","8","1881","1884","10.1107/S0108270196003484","","","0.71073","MoKα","","","0.059","","","0.06","","","","","1.54","1.54","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005192","9.179","0.002","11.104","0.003","12.202","0.002","84.08","0.02","83.98","0.01","75.52","0.02","1193.7","0.5","120","2","120","2","","","","","","","","4","P 1","P 1","1","Gly-Leu-Tyr","Glysyl-L-Leucyl-L-Tyrosin 2 H~2~O 2-propanol","","- C20 H37 N3 O8 -","- C20 H37 N3 O8 -","- C40 H74 N6 O16 -","2","2","AB1338","Dalhus, B.; Görbitz, C. H.","Glycyl-<small>L</small>-Leucyl-<small>L</small>-Tyrosine Dihydrate 2-Propanol Solvate","Acta Crystallographica Section C","1996","52","8","2087","2090","10.1107/S0108270196002041","","","0.71069","MoKα","","0.1068","0.0789","","0.2492","0.222","","","","1.076","1.165","1.165","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:26",""
"2005193","9.977","0.002","14.009","0.003","16.462","0.003","90","","91.21","0.03","90","","2300.3","0.8","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bromobis(diethyldithiocarbamato)-4-methoxyphenyltellurium(IV)","","- C17 H27 Br N2 O S4 Te -","- C17 H27 Br N2 O S4 Te -","- C68 H108 Br4 N8 O4 S16 Te4 -","4","1","AB1340","Husebye, S.; Engebretsen, T.; Rudd, M. D.; Lindeman, S. V.","Bromobis(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV)","Acta Crystallographica Section C","1996","52","8","2022","2024","10.1107/S010827019600234X","","","0.71069","MoKα","","0.0333","0.0278","","0.088","0.0748","","","","1.028","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005194","5.251","0.004","7.782","0.004","7.592","0.005","90","","101.46","0.06","90","","304","0.3","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","sodium hydrogen L-tartrate","","- C4 H5 Na O6 -","- C4 H5 Na O6 -","- C8 H10 Na2 O12 -","2","1","AB1342","Matsumoto, S.; Kashino, S.","Sodium Hydrogen <small>L</small>-Tartrate","Acta Crystallographica Section C","1996","52","8","1948","1950","10.1107/S0108270196005288","","","0.71073","MoKα","","","0.026","","","0.033","","","","","2.18","2.18","","","","","has coordinates,has disorder","248647","2020-10-21","18:00:00",""
"2005195","8.959","0.003","13.677","0.008","9.777","0.003","90","","108.78","0.02","90","","1134.2","0.9","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Br2 O2 Pt S2 -","- C4 Br2 O2 Pt S2 -","- C16 Br8 O8 Pt4 S8 -","4","1","AB1349","Lövqvist, K.","<i>cis</i>-Dibromobis(dimethyl sulfoxide-<i>S</i>)platinum(II) and <i>trans</i>-Bis(dimethyl sulfoxide-<i>S</i>)diiodoplatinum(II)","Acta Crystallographica Section C","1996","52","8","1921","1924","10.1107/S0108270196003824","","","0.7107","MoKα","","","0.0324","","","0.0413","","","","","1.713","1.713","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005196","5.2789","0.0009","7.089","0.002","8.709","0.003","110.42","0.02","94.5","0.02","93.48","0.02","303.13","0.15","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H12 I2 O2 Pt S2 -","- C4 I2 O2 Pt S2 -","- C4 I2 O2 Pt S2 -","1","0.5","AB1349","Lövqvist, K.","<i>cis</i>-Dibromobis(dimethyl sulfoxide-<i>S</i>)platinum(II) and <i>trans</i>-Bis(dimethyl sulfoxide-<i>S</i>)diiodoplatinum(II)","Acta Crystallographica Section C","1996","52","8","1921","1924","10.1107/S0108270196003824","","","0.7107","MoKα","","","0.0471","","","0.0568","","","","","2.67","2.67","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005197","10.068","0.001","21.731","0.002","11.293","0.001","90","","98.26","0.01","90","","2445.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br2 Cl Fe N2 O2 -","- C26 H18 Br2 Cl Fe N2 O2 -","- C104 H72 Br8 Cl4 Fe4 N8 O8 -","4","1","AB1355","Elerman, Y.; Paulus, H.","A Five-Coordinate Bis(<i>p</i>-bromophenylsalicylaldimino)chloroiron(III) Complex","Acta Crystallographica Section C","1996","52","8","1971","1973","10.1107/S0108270196005422","","","0.71069","MoKα","","0.049","0.035","","0.08","0.075","","","","1.049","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005198","6.177","0.0007","9.747","0.001","23.236","0.002","86.94","0.01","89.599","0.009","77.619","0.009","1364.5","0.2","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis[trans-2-phenyl-5-triphenylstannylmethoxymethyl-1,3-dioxan-5-yl]- ethanediamide.","","- C62 H60 N2 O8 Sn2 -","- C62 H60 N2 O8 Sn2 -","- C62 H60 N2 O8 Sn2 -","1","0.5","AB1356","Ross, J.-N.; Wardell, J. L.; Low, J. N.; Ferguson, G.","<i>N</i>,<i>N</i>'-Bis[<i>trans</i>-2-phenyl-5-(triphenylstannylmethoxymethyl)-1,3-dioxan-5-yl]ethanediamide","Acta Crystallographica Section C","1996","52","8","1961","1963","10.1107/S010827019600203X","","","0.7107","MoKα","","0.0384","0.0268","","0.0691","0.0657","","","","1.049","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005199","9.9456","0.0009","21.011","0.001","14.179","0.001","90","","90","","90","","2962.9","0.4","122","1","122","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-cyano-3-phenylazo-2-butenal carbazidoethylester-imin","","- C14 H15 N5 O2 -","- C14 H15 N5 O2 -","- C112 H120 N40 O16 -","8","1","AB1357","Flensburg, C.; Jensen, J.; Larsen, S.; Dehaen, W.","Ethyl 3-(2-Cyano-3-phenylazo-2-butenylidene)carbazoate at 122K","Acta Crystallographica Section C","1996","52","8","2093","2095","10.1107/S0108270196003095","","","1.54184","CuKα","","0.0501","0.035","","0.0829","0.0763","","","","1.014","1.051","1.051","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005200","8.783","0.001","11.679","0.001","13.194","0.002","81.14","0.01","71.85","0.01","85.672","0.008","1270.2","0.3","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Furan-2,5-diylbis(diphenylmethanol)-dimethylformamide (2/1)","","- C31.5 H27.5 N0.5 O3.5 -","- C31.5 H27.5 N0.5 O3.5 -","- C63 H55 N O7 -","2","1","AB1360","Ferguson, G.; Glidewell, C.; Zakaria, C. M.","Host‒Guest Complexes of Furan-2,5-diylbis(diphenylmethanol): Structures of the 2:1 Adducts with Dimethylformamide, Dimethyl Sulfoxide and Pyridine","Acta Crystallographica Section C","1996","52","8","2009","2014","10.1107/S0108270196003101","","","0.7107","MolybdenumKα","","0.1348","0.0585","","0.1971","0.1695","","","","0.876","1.148","1.148","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005201","8.802","0.003","11.707","0.003","13.162","0.004","80.17","0.01","72.07","0.01","84.19","0.01","1269.7","0.7","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Furan-2,5-diylbis(diphenylmethanol)-dimethylfsulfoxide (2/1)","","- C31 H27 O3.5 S0.5 -","- C31 H27 O3.5 S0.5 -","- C62 H54 O7 S -","2","1","AB1360","Ferguson, G.; Glidewell, C.; Zakaria, C. M.","Host‒Guest Complexes of Furan-2,5-diylbis(diphenylmethanol): Structures of the 2:1 Adducts with Dimethylformamide, Dimethyl Sulfoxide and Pyridine","Acta Crystallographica Section C","1996","52","8","2009","2014","10.1107/S0108270196003101","","","0.7107","MolybdenumKα","","0.0881","0.0426","","0.1093","0.0982","","","","0.999","1.203","1.203","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005202","8.979","0.001","11.814","0.003","13.329","0.003","96.55","0.02","109.47","0.02","102.4","0.02","1275.2","0.5","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Furan-2,5-diylbis(diphenylmethanol)-pyridine (2/1)","","- C32.5 H26.5 N0.5 O3 -","- C32.5 H26.5 N0.5 O3 -","- C65 H53 N O6 -","2","1","AB1360","Ferguson, G.; Glidewell, C.; Zakaria, C. M.","Host‒Guest Complexes of Furan-2,5-diylbis(diphenylmethanol): Structures of the 2:1 Adducts with Dimethylformamide, Dimethyl Sulfoxide and Pyridine","Acta Crystallographica Section C","1996","52","8","2009","2014","10.1107/S0108270196003101","","","0.7107","MolybdenumKα","","0.1521","0.0412","","0.1278","0.1059","","","","0.879","1.219","1.219","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005203","9.685","0.0006","6.798","0.0007","15.183","0.001","90","","90","","90","","999.63","0.14","294","1","294","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","6-acetylamino-4-methoxy-2-methylthiopyrimidine","","- C8 H11 N3 O2 S -","- C8 H10 N3 O2 S -","- C32 H40 N12 O8 S4 -","4","0.5","AB1363","Low, J. N.; Ferguson, G.; Cobo, J.; Melguizo, M.; Nogueras, M.; Sanchez, A.","6-Acetamido-4-methoxy-2-methylthiopyrimidine","Acta Crystallographica Section C","1996","52","8","2035","2037","10.1107/S0108270196003423","","","0.7107","MoKα","","0.0852","0.0367","","0.1088","0.0984","","","","0.996","1.195","1.195","","","","","has coordinates,has disorder","200174","2020-10-21","18:00:00",""
"2005204","8.536","0.001","11.805","0.002","14.672","0.002","91.43","0.01","105.97","0.01","93.79","0.01","1416.9","0.4","294","1","294","1","","","","","","","","3","P -1","-P 1","2","5,17-Dicarbethoxy-25,26,27,28-tetrahydroxycalix[4]arene","5,17-diethyloxycarbonylpentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosa- 1(25),3,5,7(18),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetraol","","- C34 H32 O8 -","- C34 H32 O8 -","- C68 H64 O16 -","2","1","AB1366","Böhmer, V.; Ferguson, G.; Mogck, O.","5,17-Diethoxycarbonyl-25,26,27,28-tetrahydroxycalix[4]arene","Acta Crystallographica Section C","1996","52","8","2000","2002","10.1107/S0108270196003496","","","0.7107","MolybdenumKα","","0.0861","0.0464","","0.1385","0.1267","","","","1.068","1.28","1.28","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:26",""
"2005205","20.733","0.002","35.97","0.003","14.66","0.001","90","","90","","90","","10932.9","1.6","160","2","160","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C28 H38 B2 O6 -","- C28 H38 B2 O6 -","- C448 H608 B32 O96 -","16","1","AB1368","Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C.","The Product of Catalysed Diboration of Bis(4-methoxyphenyl)ethyne by Bis(pinacolato-<i>O</i>,<i>O</i>')diboron","Acta Crystallographica Section C","1996","52","8","1989","1991","10.1107/S0108270196003836","","","0.71073","MoKα","","0.0353","0.0304","","0.0771","0.0726","","","","1.051","1.036","1.036","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005206","12.556","0.006","14.408","0.007","14.996","0.008","90","","91.56","0.02","90","","2712","2","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(N-2,6-Diisopropylphenyl-N-trimethylsilyl)amido-N](pyridine-N)- (Diethyl ether-O)lithium","","- C24 H41 Li N2 O Si -","- C24 H41 Li N2 O Si -","- C96 H164 Li4 N8 O4 Si4 -","4","1","AB1370","Blake, A. J.; Mountford, P.; Nikonov, G. I.","(Diethyl ether-<i>O</i>)[<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-(trimethylsilyl)amido-<i>N</i>](pyridine-<i>N</i>)lithium","Acta Crystallographica Section C","1996","52","8","1911","1913","10.1107/S010827019600409X","","","0.71073","MoKα","","","0.0749","","","0.0655","","","","","1.0673","1.0673","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005207","10.0809","0.0009","12.1757","0.0009","19.115","0.001","90","","91.443","0.009","90","","2345.5","0.3","294","1","294","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tetrabenzylgermanium","","- C28 H28 Ge -","- C28 H28 Ge -","- C112 H112 Ge4 -","4","1","AB1377","Ferguson, G.; Glidewell, C.","Tetrabenzylgermanium","Acta Crystallographica Section C","1996","52","8","1889","1891","10.1107/S0108270196004878","","","0.7107","MoKα","","0.1731","0.0564","","0.1171","0.0967","","","","0.828","1.12","1.12","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005208","7.571","0.001","7.161","0.0007","16.535","0.002","90","","91.81","0.01","90","","896.01","0.18","111","2","111","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Ethyl-3-(3-pyridyl)isoxazolin-5-one","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","AB1380","Frydenvang, K.; Brehm, L.; di Biase, R.; Falch, E.","2-Ethyl-3-(3-pyridyl)-5(2<i>H</i>)-isoxazolone","Acta Crystallographica Section C","1996","52","8","2102","2105","10.1107/S0108270196006142","","","1.54184","CuKα","","0.0454","0.0371","","0.1065","0.0971","","","","1.071","1.101","1.101","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005209","9.5156","0.0009","22.206","0.002","11.619","0.001","90","","108.059","0.002","90","","2334.2","0.4","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-1,2-bis(benzo-1',3',2'-dioxaborolan-2'-yl)-1,2-bis(4'-methylphenyl)ethene","","- C28 H22 B2 O4 -","- C28 H22 B2 O4 -","- C112 H88 B8 O16 -","4","1","AB1383","Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C.","The Products of Catalysed Diboration of Bis(<i>p</i>-tolyl)ethyne and of 4-Cyanophenylethyne by Bis(catecholato-<i>O</i>,<i>O</i>')diboron","Acta Crystallographica Section C","1996","52","8","1991","1995","10.1107/S0108270196006622","","","0.71073","MoKα","","0.0487","0.0385","","0.0999","0.0902","","","","1.07","1.062","1.062","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005210","16.253","0.001","13.023","0.001","8.5856","0.0008","90","","104.92","0.002","90","","1756","0.2","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-1,2-bis(benzo-1',3',2'-dioxaborolan-2'-yl)-1-(4'-cyanophenyl)ethene","","- C21 H13 B2 N O4 -","- C21 H13 B2 N O4 -","- C84 H52 B8 N4 O16 -","4","1","AB1383","Clegg, W.; Scott, A. J.; Lesley, G.; Marder, T. B.; Norman, N. C.","The Products of Catalysed Diboration of Bis(<i>p</i>-tolyl)ethyne and of 4-Cyanophenylethyne by Bis(catecholato-<i>O</i>,<i>O</i>')diboron","Acta Crystallographica Section C","1996","52","8","1991","1995","10.1107/S0108270196006622","","","0.71073","MoKα","","0.0416","0.0354","","0.0963","0.0882","","","","1.031","1.032","1.032","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005211","14.062","0.004","12.046","0.002","11.697","0.002","90","","102.63","0.02","90","","1933.4","0.7","291","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O5 -","- C21 H17 N3 O5 -","- C84 H68 N12 O20 -","4","1","BK1124","Barrett, D. M. Y.; Kahwa, I. A.; Williams, D. J.","Formylation <i>versus</i> Alkylation of Secondary Amines in DMF","Acta Crystallographica Section C","1996","52","8","2069","2071","10.1107/S010827019600056X","","","1.54178","CuKα","","","0.0464","","","0.0539","","","","","2.47","2.47","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005212","5.534","0.002","12.759","0.002","5.74","0.002","90","","104.77","0.02","90","","391.9","0.2","296","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H8 Ca N O7 P -","- C3 H8 Ca N O7 P -","- C6 H16 Ca2 N2 O14 P2 -","2","1","BK1190","Suga, T.; Okabe, N.","Aqua(<small>L</small>-<i>O</i>-serine phosphato)calcium(II)","Acta Crystallographica Section C","1996","52","8","1894","1896","10.1107/S0108270196002648","","","0.71069","MoKα","","","0.024","","","0.029","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005213","7.08","0.002","10.007","0.001","16.482","0.002","90","","90.3","0.02","90","","1167.7","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-chloro-bis[chloro(2-(N-propylaminomethyl)pyridine)copper(II)]","","- C18 H28 Cl4 Cu2 N4 -","- C18 H28 Cl4 Cu2 N4 -","- C36 H56 Cl8 Cu4 N8 -","2","0.5","BK1213","Wahnon, D.; Keith, C.; Chin, J.; Hynes, R. C.","Di-μ-chloro-bis{chloro[2-(<i>N</i>-propylaminomethyl)pyridine-<i>N</i>,<i>N</i>']copper(II)}","Acta Crystallographica Section C","1996","52","8","1877","1879","10.1107/S0108270196003459","","","0.7107","MolybdenumKα","","0.05","0.032","","0.032","0.031","","","","","1.55","1.55","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005214","8.439","0.001","16.864","0.002","11.01","0.001","90","","109.56","0.01","90","","1476.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-thiosulphato-S,O)-bis(dimethylphenanthrolyne cadmium(II))","","- C28 H24 Cd2 N4 O6 S4 -","- C28 H24 Cd2 N4 O6 S4 -","- C56 H48 Cd4 N8 O12 S8 -","2","0.5","BK1214","Baggio, R.; Baggio, S.; Pardo, M. I.; Garland, M. T.","Bis(μ-thiosulfato)-1κ<i>O</i>,1:2κ^2^<i>S</i>;2κ<i>O</i>,1:2κ^2^<i>S</i>-bis[(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)]","Acta Crystallographica Section C","1996","52","8","1939","1942","10.1107/S0108270196003502","","","0.71073","MoKα","","0.0311","0.0252","","0.0638","0.0591","","","","1.056","1.067","1.067","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2005215","9.003","0.003","8.896","0.005","24.832","0.004","90","","94.29","0.03","90","","1983.2","1.3","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","calcium o-tolidine-6,6'-disulfonate tetrahydrate","","- C14 H22 Ca N2 O10 S2 -","- C14 H22 Ca N2 O10 S2 -","- C56 H88 Ca4 N8 O40 S8 -","4","1","BK1220","Gunderman, B. J.; Squattrito, P. J.","Two Calcium Salts of <i>o</i>-Tolidine-6,6'-disulfonate","Acta Crystallographica Section C","1996","52","8","1896","1901","10.1107/S0108270196004957","","","0.7107","MoKα","","0.078","0.036","","0.068","0.037","","","","","1.87","1.87","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005216","13.163","0.007","16.122","0.007","11.814","0.005","93.23","0.04","112.97","0.04","106.5","0.04","2173","2","296","","296","","","","","","","","","6","P -1","-P 1","2","","calcium o-tolidine-6,6'-disulfonate dodecahydrate","","- C28 H54 Ca N4 O24 S4 -","- C28 H44 Ca N4 O24 S4 -","- C56 H88 Ca2 N8 O48 S8 -","2","1","BK1220","Gunderman, B. J.; Squattrito, P. J.","Two Calcium Salts of <i>o</i>-Tolidine-6,6'-disulfonate","Acta Crystallographica Section C","1996","52","8","1896","1901","10.1107/S0108270196004957","","","0.7107","MoKα","","0.16","0.049","","0.062","0.05","","","","","1.87","1.87","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005217","15.754","0.001","19.29","0.001","13.205","0.001","90","","92.1","0.01","90","","4010.2","0.4","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N5 O3 -","- C21 H22 N5 O3 -","- C168 H176 N40 O24 -","8","2","BM1044","Das, A. K.; Dutta, M.; Mazumdar, S. K.; Mazumdar, B.; Mukhopadhyay, A.; Talapatra, S. K.","9-Benzyl-7-[(<i>E</i>)-2-butenyl]-2,3-dihydro-6-hydroxy-1,3-dimethylpyrimido[2,1-<i>f</i>]purine-4,8(1<i>H</i>,9<i>H</i>)-dione","Acta Crystallographica Section C","1996","52","8","2076","2078","10.1107/S0108270196002946","","","1.54184","CuKα","","","0.056","","","0.062","","","","","1.98","1.98","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005218","32.41","0.01","32.41","0.01","6.056","0.003","90","","90","","90","","6361","4","298","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C14 H17.5 Cl N4 O1.25 S -","- C14 H17.5 Cl N4 O1.25 S -","- C224 H280 Cl16 N64 O20 S16 -","16","1","BM1047","Kovala-Demertzi, D.; Varagi, V.; Demertzis, M. A.; Raptopoulou, C. P.; Terzis, A.","2-Acetylpyridinium 4<i>N</i>-Phenylthiosemicarbazone Chloride 1.25-Hydrate","Acta Crystallographica Section C","1996","52","8","2027","2029","10.1107/S010827019600176X","","","0.7107","MoKα","","","0.0351","","","0.035","","","","","2.35","2.35","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005219","10.214","0.001","9.361","0.002","19.097","0.002","90","","99.34","0.04","90","","1801.7","0.5","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 Ni O S -","- C21 H20 N2 Ni O S -","- C84 H80 N8 Ni4 O4 S4 -","4","1","BM1064","Ülkü, D.; Tahir, M. N.; Üçar, G.; Atakol, O.","(Pyrrolidine-<i>N</i>)[1-(2-thiophenyliminomethyl)-2-naphtholato(2‒)-<i>N</i>,<i>O</i>,<i>S</i>]nickel(II)","Acta Crystallographica Section C","1996","52","8","1884","1885","10.1107/S0108270196003848","","","0.71069","MoKα","","","0.039","","","0.039","","","","","1.3","1.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005220","12.893","0.004","6.215","0.002","18.8","0.008","90","","95.06","0.03","90","","1500.6","0.9","150","","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Cholesteryl p-Toluenesulfonate","","- C34 H52 O3 S -","- C34 H52 O3 S -","- C68 H104 O6 S2 -","2","1","BM1066","Cox, P. J.; Buchanan, H. J.; Wardell, J. L.","Redetermination of Cholesteryl <i>p</i>-Toluenesulfonate at 150K","Acta Crystallographica Section C","1996","52","8","2111","2113","10.1107/S0108270196003150","","","0.71073","MoKα","","0.0981","0.0494","","0.1066","0.096","","","","0.659","0.888","0.888","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005221","11.851","0.006","15.298","0.009","27.35","0.02","90","","90","","90","","4958","5","303","2","303","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-p-Tolyl-2-chloro-5-p-tolouylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","N-p-Tolyl-2-chloro-5-p-tolouylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","","- C27 H24 Cl N5 O2 -","- C27 H24 Cl N5 O2 -","- C216 H192 Cl8 N40 O16 -","8","1","BM1069","Mazurek, J.; Lis, T.; Jasztold-Howorko, R.","Orthorhombic and Triclinic Forms of 2-Chloro-5-<i>p</i>-toluoylamino-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(<i>p</i>-chlorobenzoylamino)-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide","Acta Crystallographica Section C","1996","52","8","2106","2111","10.1107/S0108270196005616","","","1.5418","CuKα","","0.0425","0.0425","","0.1161","0.1161","","","","1.039","1.039","1.039","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005222","7.375","0.002","11.888","0.006","14.103","0.006","101.34","0.04","94.75","0.03","91.2","0.03","1207.3","0.9","298","2","293","2","","","","","","","","5","P -1","-P 1","2","N-p-Tolyl-2-chloro-5-p-toluylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","N-p-Tolyl-2-chloro-5-p-toluylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","","- C27 H24 Cl N5 O2 -","- C27 H24 Cl N5 O2 -","- C54 H48 Cl2 N10 O4 -","2","1","BM1069","Mazurek, J.; Lis, T.; Jasztold-Howorko, R.","Orthorhombic and Triclinic Forms of 2-Chloro-5-<i>p</i>-toluoylamino-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(<i>p</i>-chlorobenzoylamino)-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide","Acta Crystallographica Section C","1996","52","8","2106","2111","10.1107/S0108270196005616","","","1.5418","CuKα","","0.0393","0.0393","","0.1083","0.1083","","","","1.048","1.048","1.048","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005223","7.411","0.002","11.784","0.002","13.989","0.004","101.61","0.02","94.29","0.02","92.15","0.02","1191.6","0.5","294","1","294","1","","","","","","","","5","P -1","-P 1","2","N-p-Tolyl-2-chloro-5-(p-chloro)-benzoylamino-4-p-tolylamino- 6-pyrimidinecarboxyamide","N-p-Tolyl-2-chloro-5-(p-chloro)-benzoylamino-4-p-tolylamino- 6-pyrimidinecarboxyamide","","- C26 H21 Cl2 N5 O2 -","- C26 H21 Cl2 N5 O2 -","- C52 H42 Cl4 N10 O4 -","2","1","BM1069","Mazurek, J.; Lis, T.; Jasztold-Howorko, R.","Orthorhombic and Triclinic Forms of 2-Chloro-5-<i>p</i>-toluoylamino-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(<i>p</i>-chlorobenzoylamino)-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide","Acta Crystallographica Section C","1996","52","8","2106","2111","10.1107/S0108270196005616","","","1.5418","CuKα","","0.0504","0.046","","0.1232","0.1188","","","","1.068","1.07","1.07","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005224","6.594","0.001","10.763","0.002","11.649","0.002","90","","105.36","0.01","90","","797.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Di-mu-chloro-dichlorobis(trimethylphosphine)diplatinum(II)","","- C6 H18 Cl4 P2 Pt2 -","- C6 H18 Cl4 P2 Pt2 -","- C12 H36 Cl8 P4 Pt4 -","2","0.5","BM1079","Boag, N. M.; Ravetz, M. S.","<i>trans</i>-Di-μ-chloro-bis[chloro(trimethylphosphine-<i>P</i>)platinum(II)]","Acta Crystallographica Section C","1996","52","8","1942","1943","10.1107/S0108270196004301","","","0.71073","MoKα","","0.0629","0.0426","","0.1131","0.1014","","","","1.032","1.063","1.063","","","","","has coordinates","196234","2020-10-21","18:00:00",""
"2005225","4.655","0.002","8.565","0.003","9.103","0.003","90","","97.8","0.01","90","","359.6","0.2","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Lithium dicobalt tripolyphosphate","","- Co2 Li O10 P3 -","- Co2 Li O10 P3 -","- Co4 Li2 O20 P6 -","2","0.5","BR1124","Erragh, F.; Boukhari, A.; Holt, E. M.","Lithium Dicobalt Tripolyphosphate and Lithium Dinickel Tripolyphosphate","Acta Crystallographica Section C","1996","52","8","1867","1869","10.1107/S010827019501643X","","","0.71073","MoKα","","","0.034","","","0.046","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005226","4.576","0.001","8.356","0.001","8.921","0.001","90","","98.08","0.01","90","","337.73","0.09","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Lithium dinickel tripolyphosphate","","- Li Ni2 O10 P3 -","- Li Ni2 O10 P3 -","- Li2 Ni4 O20 P6 -","2","0.5","BR1124","Erragh, F.; Boukhari, A.; Holt, E. M.","Lithium Dicobalt Tripolyphosphate and Lithium Dinickel Tripolyphosphate","Acta Crystallographica Section C","1996","52","8","1867","1869","10.1107/S010827019501643X","","","0.71073","MoKα","","","0.052","","","0.063","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005227","9.473","0.004","7.802","0.003","6.755","0.002","78.14","0.02","75.58","0.02","77.21","0.02","465.5","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cl3 H2 O13 Yb -","- Cl3 H2 O13 Yb -","- Cl6 H4 O26 Yb2 -","2","1","BR1135","Belin, C.; Favier, F.; Pascal, J. L.; Tillard-Charbonnel, M.","Triperchloratoytterbium(III) Monohydrate, Yb(ClO~4~)~3~.H~2~O","Acta Crystallographica Section C","1996","52","8","1872","1874","10.1107/S0108270196001709","","","0.71073","MoKα","","","0.0313","","","0.0389","","","","","0.84","0.84","","","","","has coordinates","199744","2020-10-21","18:00:00",""
"2005228","8.348","0.002","10.326","0.002","9.929","0.002","90","","97.06","0.02","90","","849.4","0.3","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ammonium Uranyl Hydrogenselenite Selenite","","","- H5 N O8 Se2 U -","- N O8 Se2 U -","- N4 O32 Se8 U4 -","4","1","BR1138","Koskenlinna, M.; Valkonen, J.","Ammonium Uranyl Hydrogenselenite Selenite","Acta Crystallographica Section C","1996","52","8","1857","1859","10.1107/S0108270196002053","","","0.71073","Mo_Kα","","","0.028","","","0.032","","","","","0.503","0.503","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005229","7.947","0.002","11.949","0.003","7.749","0.002","106.19","0.02","96.79","0.02","84.7","0.02","700.3","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","tetraline","1-hydroxy-1-propynyl-2,2-spiro-(1-cyclohex-2 -ene-1-one)-1(2H)-tetraline","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","CF1014","Kabaleeswaran, V.; Rajan, S. S.; Janarthanam, S.; Rajagopalan, K.","A Tetralin Derivative","Acta Crystallographica Section C","1996","52","8","1983","1985","10.1107/S0108270195009711","","","1.5418","CuKα","","0.052","0.039","","0.06","0.046","","","","0.958","0.888","0.888","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005230","11.212","0.002","8.43","0.0008","19.384","0.002","90","","90.81","0.01","90","","1831.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","rel-(1R,4R,7S,10R)-7-tert.-butyl-dimethyl-silyloxy- tetracyclo[5.4.1.0^4,12^.0^10,12^]dodecan-2-one","","- C18 H30 O2 Si -","- C18 H30 O2 Si -","- C72 H120 O8 Si4 -","4","1","CF1072","Thommen, M.; Keese, R.; Förtsch, M.","A <i>cis</i>,<i>trans</i>,<i>cis</i>,<i>cis</i>-[4.5.5.5]Fenestrane Derivative","Acta Crystallographica Section C","1996","52","8","2051","2053","10.1107/S0108270196002120","","","0.71069","MoKα","","0.0718","0.0421","","0.1246","0.1071","","","","1.062","1.094","1.094","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005231","8.814","0.001","10.329","0.002","13.248","0.005","74.19","0.03","88.31","0.02","85.65","0.02","1157.1","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H26 Cl2 N4 O3 -","- C23 H26 Cl2 N4 O3 -","- C46 H52 Cl4 N8 O6 -","2","2","CF1077","Bolte, M.","Nearly Centrosymmetric (<i>S</i>)-7-(2,6-Dichlorobenzyl)-8-(3-oxocyclopentyl)-1,3-dipropyl-7<i>H</i>-purine-2,6-dione","Acta Crystallographica Section C","1996","52","8","1985","1987","10.1107/S0108270196002570","","","1.5418","CuKα","","0.0639","0.0627","","0.2054","0.193","","","","1.128","1.121","1.121","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005232","10.58","0.001","13.784","0.003","15.218","0.003","66.59","0.01","86.91","0.03","75.93","0.01","1973.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3,6-diaza-4,5-diethoxy-9,9-dimethyl-10-hydroxy-10-isopropyl-9,10- dihydroanthracene","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C84 H112 N8 O12 -","4","2","CF1097","Ianelli, S.; Nardelli, M.; Belletti, D.; Pasquier, K.; Caubère, P.","Unusual Hetarynic Condensation of 3-Bromo-2-ethoxypyridine with Diisopropyl Ketone Enolate in the Presence of a Complex Base","Acta Crystallographica Section C","1996","52","8","2097","2100","10.1107/S010827019600501X","","","0.71073","MoKα","","","0.0527","","0.1067","0.0643","","","","0.965","1.524","1.524","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005233","7.6314","0.0006","10.452","0.002","11.229","0.001","90","","90","","90","","895.7","0.2","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cyanoferrocene","","- C11 H9 Fe N -","- C11 H9 Fe N -","- C44 H36 Fe4 N4 -","4","1","CF1114","Bell, W.; Ferguson, G.; Glidewell, C.","Cyanoferrocene: a Two-Dimensional Network Generated by Short C—H···N Hydrogen Bonds","Acta Crystallographica Section C","1996","52","8","1928","1930","10.1107/S0108270196006233","","","0.7107","MoKα","","0.0554","0.0375","","0.1039","0.0978","","","","0.934","1.015","1.015","","","","","has coordinates","192285","2020-10-21","18:00:00",""
"2005234","4.029","0.001","11.125","0.002","11.775","0.001","97.339","0.009","99.948","0.009","90.04","0.01","515.45","0.16","300","","","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H7 Br O3 -","- C11 H7 Br O3 -","- C22 H14 Br2 O6 -","2","1","CR1164","Kokila, M. K.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.","3-Acetyl-6-bromocoumarin","Acta Crystallographica Section C","1996","52","8","2078","2081","10.1107/S0108270195010493","","","0.7093","MoKα","","","0.067","","","0.067","","","","","1.298","1.298","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005235","11.9292","0.0005","8.8839","0.0005","14.214","0.001","90","","105.089","0.004","90","","1454.43","0.15","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","CR1187","Goeta, A. E.; Punte, G.; Jios, J. L.; Autino, J. C.","2-Acetylphenyl 1-Naphthoate","Acta Crystallographica Section C","1996","52","8","2045","2047","10.1107/S0108270196001266","","","0.71073","MoKα","","","0.0342","","","0.0411","","","","","1.15","1.15","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005236","7.1551","0.0007","13.528","0.001","9.9826","0.0009","90","","90.748","0.008","90","","966.18","0.15","183","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N4 O8 -","- C18 H22 N4 O8 -","- C36 H44 N8 O16 -","2","1","CR1202","Freeman, F.; Scheuerman, R. A.; Ziller, J. W.","1-(4-Amino-6-methyl[1,3]oxazolo[5,4-<i>d</i>]pyrimidin-2-yl)-1-deoxy-<small>D</small>-ribose 5-Benzoate Dihydrate","Acta Crystallographica Section C","1996","52","8","2006","2008","10.1107/S0108270196001242","","","0.71073","MoKα","","","0.048","","","0.062","","","","","1.95","1.95","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005237","7.101","0.002","12.521","0.003","8.877","0.002","90","","110.6","0.03","90","","738.8","0.4","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Br2 Cu N4 -","- C10 H24 Br2 Cu N4 -","- C20 H48 Br4 Cu2 N8 -","2","0.5","CR1206","Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K.","Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts","Acta Crystallographica Section C","1996","52","8","1924","1928","10.1107/S0108270195016829","","","0.71073","MoKα","","","0.057","","","0.053","","","","","1.13","1.13","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005238","9.892","0.002","6.508","0.002","16.648","0.003","90","","107.16","0.03","90","","1024","0.5","295","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H36 Cl2 Mn0.66 N4 Ni0.34 O6 -","- C10 H36 Cl2 Mn0.66 N4 Ni0.34 O6 -","- C20 H72 Cl4 Mn1.32 N8 Ni0.68 O12 -","2","0.5","CR1206","Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K.","Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts","Acta Crystallographica Section C","1996","52","8","1924","1928","10.1107/S0108270195016829","","","0.71073","MoKα","","","0.077","","","0.13","","","","","1.2","1.2","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2005239","6.415","0.002","7.427","0.002","21.074","0.004","90","","90.99","0.03","90","","1003.9","0.5","295","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H35 Cl2.5 Co0.5 Mn0.5 N4 O5.5 -","- C10 H32 Cl3 Co0.5 Mn0.5 N4 O5 -","- C20 H64 Cl6 Co Mn N8 O10 -","2","0.5","CR1206","Chen, X.; Long, G.; Willett, R. D.; Hawks, T.; Molnar, S.; Brewer, K.","Three Metal (1,4,8,11-Tetraazacyclotetradecane) Halide Salts","Acta Crystallographica Section C","1996","52","8","1924","1928","10.1107/S0108270195016829","","","0.71073","MoKα","","","0.065","","","0.073","","","","","1.23","1.23","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2005240","15.082","0.003","9.19","0.0003","26.499","0.005","90","","90.533","0.009","90","","3672.7","1","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga3 Mo26 O48 Sr4 -","- Ga3 Mo26 O48 Sr4 -","- Ga12 Mo104 O192 Sr16 -","4","1","DU1150","Tortelier, J.; Gougeon, P.","Sr~4~Ga~3~Mo~26~O~48~ Containing Mo~7~ Clusters and Infinite Mo~7~‒Mo~10~‒Mo~7~ Chains","Acta Crystallographica Section C","1996","52","8","1862","1867","10.1107/S0108270196002727","","","0.71073","MoKα","","","0.036","","","0.039","","","","","1.325","1.325","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005241","9.711","0.001","10.907","0.002","20.669","0.003","89.58","0.01","84.04","0.01","85.54","0.01","2170.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2,2'(1,2'-bicyclohexenyl))bis(triphenylphosphine)platinum(0) Tetrahydrofuran Solvate","","- C51.4 H52.8 O0.85 P2 Pt -","- C48 H46 P2 Pt -","- C96 H92 P4 Pt2 -","2","1","FG1046","Abboud, K. A.; Lu, Z.; Jones, W. M.","[2,2'-(1,3'-Bicyclohexenyl)]bis(triphenylphosphine)platinum(0) Tetrahydrofuran Solvate","Acta Crystallographica Section C","1996","52","8","1909","1911","10.1107/S0108270196000133","","","0.71073","MoKα","","0.0492","0.0367","","0.0827","0.0786","","","","0.995","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005242","15.557","0.009","13.138","0.004","17.899","0.005","90","","90","","90","","3658","3","296","","296","","","","","","","","","4","P b c n","-P 2n 2ab","60","","5,5-diethyl-1-methyl-(1H,2H,3H,5H)-hexahydropyrimidine-4,6-dione-2- spiro-9'-fluorene","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C168 H176 N16 O16 -","8","1","FG1159","Gong, Y.; Robinson, P. D.; Bausch, M. J.","5,5-Diethyl-1-methyl-1<i>H</i>,2<i>H</i>,3<i>H</i>,5<i>H</i>-pyrimidine-2-spiro-9'-fluorene-4,6-dione","Acta Crystallographica Section C","1996","52","8","2081","2084","10.1107/S0108270196001485","","","0.71069","MoKα","","","0.048","","","0.044","","","","","1.38","1.38","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005243","6.553","0.004","10.893","0.004","20.492","0.002","90","","94.09","0.02","90","","1459","1","296","","296","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C35 H50 -","- C35 H50 -","- C70 H100 -","2","1","FG1167","Parvez, M.; Nicholson, R.; Simion, D.; Sorensen, T. S.","Naphtho[2,3-<i>b</i>]cholestane","Acta Crystallographica Section C","1996","52","8","2113","2115","10.1107/S0108270196003599","","","0.71069","MoKα","","","0.0595","","","0.0611","","","","","3.158","3.158","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005244","10.223","0.003","14.096","0.003","21.454","0.008","90","","90","","90","","3091.6","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(OC-6-2'3'-C)-Chlorobis[2-(diphenylphosphino)phenolato]oxorhenium(V)","","- C36 H28 Cl O3 P2 Re -","- C36 H28 Cl O3 P2 Re -","- C144 H112 Cl4 O12 P8 Re4 -","4","1","FG1173","Loiseau, F.; Lucchese, Y.; Dartiguenave, M.; Bélanger-Gariépy, F.; Beauchamp, A. L.","Chlorobis[2-(diphenylphosphino)phenolato-<i>O</i>,<i>P</i>]oxorhenium(V)","Acta Crystallographica Section C","1996","52","8","1968","1971","10.1107/S0108270196004106","","","1.54056","CopperKα","","0.0393","0.031","","0.065","0.0625","","","","0.74","0.781","0.781","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005245","13.511","0.001","8.72","0.001","13.972","0.002","90","","102.177","0.009","90","","1609.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[di(2-aminoethyl)amine]nickel(II) chloride monohydrate","","- C8 H28 Cl2 N6 Ni O -","- C8 H28 Cl2 N6 Ni O -","- C32 H112 Cl8 N24 Ni4 O4 -","4","1","FG1177","Hynes, R. C.; Willis, C. J.; Vittal, J. J.","Bis[di(2-aminoethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'']nickel(II) Chloride Monohydrate, a Redetermination","Acta Crystallographica Section C","1996","52","8","1879","1881","10.1107/S0108270196005835","","","0.71073","MoKα","","0.0488","0.035","","0.0833","0.077","","","","1.034","1.064","1.064","","","","","has coordinates","301791","2025-08-18","23:15:26",""
"2005246","17.381","0.004","18.414","0.003","9.591","0.002","90","","90","","90","","3069.6","1.1","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 P2 -","- C40 H30 P2 -","- C160 H120 P8 -","4","1","FG1181","Fu, T. Y.; Scheffer, J. R.; Trotter, J.","(+)-(4b<i>R</i>,8b<i>R</i>,8c<i>R</i>,8d<i>R</i>)-Tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b,8c-bis(diphenylphosphine)","Acta Crystallographica Section C","1996","52","8","2095","2097","10.1107/S0108270196004477","","","1.5418","CuKα","","","0.031","","0.051","0.033","","","","0.035","1.9","1.9","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005247","8.427","0.002","9.043","0.002","10.195","0.002","115.61","0.02","102.39","0.02","90.07","0.02","680.4","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","{trans-2,2,4,4-Tetrafluoro-1,3-diphenyl-1,3-diphosphetane} -bis(pentacarbonylchromium(0))","","- C24 H10 Cr2 F4 O10 P2 -","- C24 H10 Cr2 F4 O10 P2 -","- C24 H10 Cr2 F4 O10 P2 -","1","0.5","FG1186","Jones, P. G.","<i>trans</i>-2,2,4,4-Tetrafluoro-1,3-diphenyl-1,3-diphosphetanediyl-1,3-bis[pentacarbonylchromium(0)]","Acta Crystallographica Section C","1996","52","8","1919","1921","10.1107/S0108270196004817","","","0.71073","MoKα","","0.0232","0.0219","","0.0632","0.059","","","","1.08","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005248","14.817","0.003","17.322","0.004","16.788","0.003","90","","107.24","0.02","90","","4115.2","1.5","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(3',5'-Bis-trifluoromethyl-phenyl)-8-(4""-methoxy-phenyl)-naphthalene","","- C25 H16 F6 O -","- C25 H16 F6 O -","- C200 H128 F48 O8 -","8","2","FG1206","Bahl, A.; Grahn, W.; Jones, P. G.","1-[3,5-Bis(trifluoromethyl)phenyl]-8-(4-methoxyphenyl)naphthalene: a Novel Three-Dimensional Non-Linear Optical Chromophore","Acta Crystallographica Section C","1996","52","8","2014","2017","10.1107/S0108270196007834","","","0.71073","MoKα","","0.0968","0.0535","","0.1365","0.1027","","","","1.078","1.076","1.076","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005249","9.376","0.001","9.187","0.002","22.287","0.005","90","","94.62","0.01","90","","1913.5","0.6","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl-{4-[8-(4-trifluoromethyl-phenyl)-naphthalen-1-yl]-phenyl}-selane","","- C24 H17 F3 Se -","- C24 H17 F3 Se -","- C96 H68 F12 Se4 -","4","1","FG1208","Bahl, A.; Grahn, W.; Jones, P. G.","Methyl {4-[8-(4-Trifluoromethylphenyl)naphthalen-1-yl]phenyl} Selenide","Acta Crystallographica Section C","1996","52","8","2017","2020","10.1107/S0108270196007846","","","0.71073","MoKα","","0.064","0.0492","","0.1327","0.1132","","","","1.038","1.03","1.03","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:27",""
"2005250","11.815","0.003","19.334","0.002","8.839","0.002","90","","90","","90","","2019.1","0.7","294.2","","294.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H27 Cl2 Cu N5 O8 -","- C11 H27 Cl2 Cu N5 O8 -","- C44 H108 Cl8 Cu4 N20 O32 -","4","1","FG1210","Dittler-Klingemann, A. M.; Hahn, F. E.; Orvig, C.; Rettig, S. J.","(Acetonitrile)[<i>N</i>,<i>N</i>-bis(3-aminopropyl)-1,3-propanediamine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']copper(II) Diperchlorate","Acta Crystallographica Section C","1996","52","8","1957","1959","10.1107/S0108270196007858","","","0.7107","MoKα","","0.2274","0.0392","","0.0473","0.0339","","","","","1.581","1.581","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005251","14.605","0.003","9.877","0.002","7.569","0.001","90","","92.44","0.02","90","","1090.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H30 N2 S4 Zn2 -","- C14 H30 N2 S4 Zn2 -","- C28 H60 N4 S8 Zn4 -","2","0.5","HU1091","Malik, M. A.; O'Brien, P.; Motevalli, M.","Bis(μ-diethyldithiocarbamato)-1κ<i>S</i>,1:2κ^2^<i>S</i>';2κ<i>S</i>,1:2κ^2^<i>S</i>'-bis(ethylzinc)","Acta Crystallographica Section C","1996","52","8","1931","1933","10.1107/S0108270196002831","","","0.71069","MoKα","","0.05","0.0337","","0.0918","0.0886","","","","1.024","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005252","9.387","0.0004","10.0616","0.0004","21.722","0.001","90","","90","","90","","2051.6","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R,2R,2'S,4""S)-3-(4""-Benzyl-oxazolidin-2""-one-3""-yl) -3-oxo-2-(2'-vinyl-cyclohexyl)-propionic acid methyl ester","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C88 H108 N4 O20 -","4","1","JZ1097","Schäfer, M.; Herbst-Irmer, R.; Pohl, E.; Schünke, C.; Tietze, L. F.","(2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclohexyl]propionic Acid Methyl Ester and (2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclopentyl]propionic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","8","2029","2032","10.1107/S010827019600159X","","","1.54178","CuKα","","0.0491","0.0429","","0.1122","0.1072","","","","1.044","1.064","1.064","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005253","9.272","0.005","9.699","0.002","21.21","0.006","90","","90","","90","","1907.4","1.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R,2R,2'S,4''S)-3-(4''-Benzyl-oxazolidin-2''-one-3''-yl) -3-oxo-2-(2'-vinyl-cyclopentyl)-propionic acid methyl ester","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C84 H100 N4 O20 -","4","1","JZ1097","Schäfer, M.; Herbst-Irmer, R.; Pohl, E.; Schünke, C.; Tietze, L. F.","(2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclohexyl]propionic Acid Methyl Ester and (2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclopentyl]propionic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","8","2029","2032","10.1107/S010827019600159X","","","0.71073","MoKα","","0.0495","0.0415","","0.1072","0.0979","","","","1.079","1.042","1.042","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005254","9.364","0.001","10.457","0.001","11.311","0.002","71.47","0.01","76.13","0.01","75.27","0.01","1000.3","0.2","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","Dicyano[7,7-dimethyl-2,5-di-p-tolyl-3,4-diazabicyclo[4.1.0] hept-2,4-diene-3-ium-3-yl]methanide","","- C24 H22 N4 -","- C24 H22 N4 -","- C48 H44 N8 -","2","1","JZ1114","Breu, J.; Range, K.-J.; Riebel, P.; Weber, A.; Sauer, J.","Dicyano(7,7-dimethyl-2,5-di-<i>p</i>-tolyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-3-ium-3-yl)methanide and (4-Benzoyl-5,5-dimethyl-2-phenyl-1-azacyclopenta-1,3-dien-1-ium-1-yl)dicyanomethanide, Two Stable Azomethine Ylides","Acta Crystallographica Section C","1996","52","8","2053","2056","10.1107/S0108270196001084","","","0.71069","MoKα","","0.144","0.0574","","0.1442","0.0947","","","","0.97","1.392","1.392","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005255","8.978","0.001","9.367","0.001","12.043","0.002","76.54","0.01","76.58","0.01","63.662","0.009","873","0.2","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","Dicyano[4-benzoyl-5,5-dimethyl-2-phenyl-1-azacyclopenta-1,3-diene-1-ium-1-yl] methanide","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C44 H34 N6 O2 -","2","1","JZ1114","Breu, J.; Range, K.-J.; Riebel, P.; Weber, A.; Sauer, J.","Dicyano(7,7-dimethyl-2,5-di-<i>p</i>-tolyl-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-3-ium-3-yl)methanide and (4-Benzoyl-5,5-dimethyl-2-phenyl-1-azacyclopenta-1,3-dien-1-ium-1-yl)dicyanomethanide, Two Stable Azomethine Ylides","Acta Crystallographica Section C","1996","52","8","2053","2056","10.1107/S0108270196001084","","","0.71069","MoKα","","0.0638","0.0329","","0.0714","0.0652","","","","0.839","0.969","0.969","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005256","7.646","0.004","7.646","0.004","26.29","0.01","90","","90","","120","","1331","1.1","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cl7 Cs4 Yb -","- Cl7.02 Cs4 Yb -","- Cl21.06 Cs12 Yb3 -","3","0.0833333","JZ1121","Reuter, G.; Sebastian, J.; Frenzen, G.","Tetracaesium Ytterbium Heptachloride with Partly Disordered Chloride Ions","Acta Crystallographica Section C","1996","52","8","1859","1862","10.1107/S0108270196003137","","","0.71073","MoKα","","0.0409","0.0395","","0.0921","0.0914","","","","1.27","1.272","1.272","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005257","14.0585","0.0009","7.6504","0.0004","18.655","0.001","90","","93.599","0.006","90","","2002.4","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diiodo-bis(nicotinamide-N^1^-acetato)zinc(II)","","- C16 H16 I2 N4 O6 Zn -","- C16 H16 I2 N4 O6 Zn -","- C64 H64 I8 N16 O24 Zn4 -","4","0.5","JZ1127","Zelenák, V.; Györyová, K.; Císarová, I.; Loub, J.","Diiodobis(nicotinamide-<i>N</i>^1^-acetate-<i>O</i>)zinc(II)","Acta Crystallographica Section C","1996","52","8","1917","1919","10.1107/S0108270196004295","","","0.71069","MoKα","","0.0221","0.0208","","0.0537","0.0531","","","","1.113","1.126","1.126","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005258","7.345","0.003","10.532","0.003","15.129","0.004","102","0.02","100.16","0.02","80.99","0.03","1118","0.6","293","","","","","","","","","","","4","P 1","P 1","1","","","","- C26 H31 N O3 -","- C26 H29 N O3 -","- C52 H58 N2 O6 -","2","2","KA1137","Stankovic, S.; Lazar, D.; Miljkovic, D.; Medic-Mijacevic, L.; Gasi, K.; Kovacevic, R.; Courseille, C.","17α-Benzyl-17β-hydroxy-16-hydroxyimino-3-methoxyestra-1,3,5(10)-triene","Acta Crystallographica Section C","1996","52","8","2037","2040","10.1107/S0108270195011309","","","1.54184","CuKα","","","0.067","","","0.068","","","","","2.42","2.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005259","12.032","0.001","7.742","0.001","15.148","0.001","90","","90.92","0.01","90","","1410.9","0.2","296","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H52 O2 -","- C32 H52 O2 -","- C64 H104 O4 -","2","1","KA1168","Kiyotani, T.; Kitajima, J.; Tanaka, Y.; Ageta, H.","Rhoiptelenyl Acetate, a New Pentacyclic Triterpenoid from <i>Ficus thunbergii</i>","Acta Crystallographica Section C","1996","52","8","2024","2026","10.1107/S0108270196001588","","","0.71073","MoKα","","","0.056","","","0.049","","","","","1.38","1.38","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005260","5.432","0.001","3.769","0.001","21.959","0.004","90","","95.66","0.03","90","","447.38","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H12 N8 O4 -","- C2 H14 N8 O4 -","- C4 H28 N16 O8 -","2","0.5","KA1171","Bircher, H.-R.; Ochsenbein, P.; Hauser, J.; Bürgi, H.-B.","Bis(hydrazinium) <i>N</i>,<i>N</i>'-Dinitroethylenediaminate(2 ‒)","Acta Crystallographica Section C","1996","52","8","2002","2004","10.1107/S0108270196002521","","","0.71073","MoKα","","0.0482","0.0318","","0.1006","0.0897","","","","1.034","1.073","1.073","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005261","8.481","0.002","7.584","0.002","14.917","0.003","90","","100.6","0.2","90","","943.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4,6-Dichloro-[1,3,5]triazin-2-ylethynyl)-dimethyl-amine","","- C7 H6 Cl2 N4 -","- C7 H6 Cl2 N4 -","- C28 H24 Cl8 N16 -","4","1","KA1174","Wilhelm, P.; Boss, C.; Pfammatter, M.; Thommen, M.; Ploom, T.; Schauder, S.; Berger, U.; Vanhelmont, F.; Förtsch, M.; Hauser, J.; Bürgi, H.-B.","(4,6-Dichloro-1,3,5-triazin-2-ylethynyl)dimethylamine","Acta Crystallographica Section C","1996","52","8","2004","2006","10.1107/S0108270196002545","","","0.71069","MoKα","","0.0715","0.0308","","0.0876","0.0797","","","","1.014","1.153","1.153","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005262","11.773","0.003","11.408","0.001","14.83","0.003","90","","112.32","0.02","90","","1842.5","0.7","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O S -","- C19 H23 N3 O S -","- C76 H92 N12 O4 S4 -","4","1","KA1178","Sudha, L.; Selvan, J. S.; Subramanian, K.; Steiner, Th.; Koellner, G.; Srinivasan, N.; Ramdas, K.","1,3-Bis(2-methylphenyl)-2-(4-morpholino)isothiourea","Acta Crystallographica Section C","1996","52","8","2047","2049","10.1107/S0108270196002429","","","1.54184","CuKα","","","0.058","","0.175","0.141","","","","1.138","1.138","1.138","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005263","6.41","0.003","13.34","0.004","23.851","0.005","90","","90","","90","","2039.5","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-Estradiol 3-benzoate","(17β)-Estra-1,3,5(10)-triene-3,17-diol 3-benzoate","","- C25 H28 O3 -","- C25 H28 O3 -","- C100 H112 O12 -","4","1","KA1186","Bolaños-García, V. M.; Juárez-Martínez, G.; Panneerselvam, K.; Soriano-García, M.","17β-Estradiol 3-Benzoate","Acta Crystallographica Section C","1996","52","8","1997","2000","10.1107/S0108270196002752","","","1.54178","CuKα","","0.0369","0.0348","","0.0958","0.0936","","","","1.039","1.052","1.052","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005264","7.665","0.001","14.816","0.001","13.237","0.001","90","","93.83","0.001","90","","1499.9","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-phenyl-2-(propyl-amino)-penthane","","- C14 H24 Cl N -","- C14 H24 Cl N -","- C56 H96 Cl4 N4 -","4","2","KA1192","Simon, K.; Harmat, V.; Török, Z.; Böcskei, Z.; Hermecz, I.","1-Phenyl-2-(propylamino)pentane, a Memory Enhancer","Acta Crystallographica Section C","1996","52","8","2090","2092","10.1107/S0108270196005148","","","1.5418","CuKα","","0.1074","0.0528","","0.1654","0.1568","","","","1.024","1.207","1.207","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005265","10.303","0.002","23.585","0.003","5.335","0.003","90","","90","","90","","1296.4","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","trimethylsilyl N-p-bromo phenyl carbamate","","- C10 H14 Br N O2 Si -","- C10 H14 Br N O2 Si -","- C40 H56 Br4 N4 O8 Si4 -","4","1","KA1195","Böcskei, Z.; Rohonczy, J.; Szalay, R.; Knausz, D.","Two <i>N</i>-Aryl-Substituted Silyl Carbamates","Acta Crystallographica Section C","1996","52","8","2063","2066","10.1107/S0108270196006439","","","1.54178","CuKα","","0.0743","0.0417","","0.1257","0.0985","","","","1.098","1.06","1.06","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005266","18.508","0.005","6.24","0.009","28.128","0.006","90","","94.57","0.02","90","","3238","5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","trimethylsilyl N-phenyl N-tert-buthyl carbamate","","- C14 H23 N O2 Si -","- C14 H23 N O2 Si -","- C112 H184 N8 O16 Si8 -","8","2","KA1195","Böcskei, Z.; Rohonczy, J.; Szalay, R.; Knausz, D.","Two <i>N</i>-Aryl-Substituted Silyl Carbamates","Acta Crystallographica Section C","1996","52","8","2063","2066","10.1107/S0108270196006439","","","1.54178","CuKα","","0.1177","0.0434","","0.1435","0.1027","","","","1.082","1.093","1.093","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005267","8.398","0.002","9.858","0.002","12.781","0.003","94.89","0.01","103.94","0.02","113.36","0.02","923.2","0.4","293","2","293","2","","","","","","","","3","P 1","P 1","1","","β-zearalenol sesquihydrate","","- C18 H27 O6.5 -","- C18 H27 O6.5 -","- C36 H54 O13 -","2","2","KA1204","Panneerselvam, K.; Rudiño-Piñera, E.; Soriano-García, M.","β-Zearalenol Sesquihydrate","Acta Crystallographica Section C","1996","52","8","1995","1997","10.1107/S0108270196006415","","","1.54178","CuKα","","0.0361","0.0342","","0.091","0.0886","","","","1.068","1.07","1.07","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005268","11.364","0.002","8.485","0.002","9.868","0.002","90","","109.24","0.03","90","","898.4","0.4","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O3 -","- C4 H8 N8 O3 -","- C16 H32 N32 O12 -","4","1","KH1062","Dong, S.; Zhang, G.; Chen, B.; Ou, Y.; Jai, H.","A New Energetic Material: an Azidoethylamine Salt of Triazole","Acta Crystallographica Section C","1996","52","8","2057","2058","10.1107/S0108270196004921","","","0.71073","MoKα","","","0.0501","","","0.0551","","","","","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005269","8.387","0.008","12.111","0.002","12.619","0.002","111.27","0.02","102.06","0.03","99.81","0.05","1124.7","1.2","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 Dy O -","- C28 H25 Dy O -","- C56 H50 Dy2 O2 -","2","1","KH1066","Zhou, X.; Ma, H.; Wu, Z.; You, X.; Xu, Z.; Zhang, Y.; Huang, X.","Benzophenone Adduct of Tris(cyclopentadienyl)dysprosium","Acta Crystallographica Section C","1996","52","8","1875","1877","10.1107/S0108270196002934","","","0.71073","MoKα","","","0.03","","","0.039","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005270","7.793","0.002","12.448","0.002","13.021","0.003","82.1","0.03","75.06","0.03","86.06","0.03","1208.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis (2-carboxyl-9-dihydroxymethyl-1,10-phenanthroline) copper(II) hydrate","","- C28 H20 Cu N4 O9 -","- C28 H20 Cu N4 O9 -","- C56 H40 Cu2 N8 O18 -","2","1","KH1071","Sabel, D. M.; Thompson, J. A.; Butcher, R.; Smith, P. H.","2-Carboxy-9-dihydroxymethyl-1,10-phenanthroline Complexes of Cobalt(II) and Copper(II)","Acta Crystallographica Section C","1996","52","8","1950","1954","10.1107/S010827019600443X","","","0.71073","MoKα","","0.2333","0.1053","","0.278","0.1202","","","","3.6","3.6","3.6","","","","","has coordinates,has disorder","200176","2020-10-21","18:00:00",""
"2005271","7.778","0.002","12.219","0.002","12.93","0.003","83.24","0.03","75.71","0.03","86.45","0.03","1181.9","0.5","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","bis(2-carboxyl-9-dihydroxymethyl-1,10-phenanthroline) cobalt(II) hydrate","","- C28 H20 Co N4 O9 -","- C28 H20 Co N4 O9 -","- C56 H40 Co2 N8 O18 -","2","1","KH1071","Sabel, D. M.; Thompson, J. A.; Butcher, R.; Smith, P. H.","2-Carboxy-9-dihydroxymethyl-1,10-phenanthroline Complexes of Cobalt(II) and Copper(II)","Acta Crystallographica Section C","1996","52","8","1950","1954","10.1107/S010827019600443X","","","0.71073","MoKα","","0.1242","0.0644","","0.1056","0.0868","","","","1.14","1.14","1.14","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:27",""
"2005272","8.683","0.003","16.309","0.005","9.216","0.004","90","","99.25","0.03","90","","1288.1","0.8","296","","","","","","","","","","","6","P 1 21 1","","","","","","- C18 H41 Cl N4 O7 Zn -","- C18 H41 Cl N4 O7 Zn -","- C36 H82 Cl2 N8 O14 Zn2 -","2","1","KH1072","H.-M. Hu; H.-S. Sun; X.-Z. You; X.-Y. Huang","(Acetato-<i>O</i>)(<i>meso</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc(II) Perchlorate Monohydrate","Acta Crystallographica Section C","1996","52","8","1946","1948","10.1107/S0108270196004945","","","0.71073","MoKα","","","0.034","","","0.044","","","","","1.47","1.47","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005273","12.221","0.003","20.75","0.003","13.902","0.002","90","","106.94","0.02","90","","3372.4","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetrachlorotin Bis(diphenylphosphonato)ferrocene.","","- C34 H28 Cl4 Fe O2 P2 Sn -","- C34 H28 Cl4 Fe O2 P2 Sn -","- C136 H112 Cl16 Fe4 O8 P8 Sn4 -","4","1","KH1088","Yamin, B. M.; bin Shawkataly, O.; Fun, H.-K.; Sivakumar, K.","[1,1'-Bis(diphenylphosphonato-<i>O</i>)ferrocene]tetrachlorotin","Acta Crystallographica Section C","1996","52","8","1966","1968","10.1107/S0108270196001758","","","0.71073","MoKα","","0.0451","0.0331","","0.0912","0.0865","","","","0.98","1.052","1.052","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005274","10.845","0.001","7.773","0.001","24.018","0.001","90","","97.37","0.01","90","","2007.9","0.3","299","","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1R*,2R*)-2-[(S*)-1-benzyloxyethyl]-1-(1-[(Z)-(2,4-dinitrophenylhydrazono] ethyl)cyclopropane","","- C20 H22 N4 O5 -","- C20 H22 N4 O5 -","- C80 H88 N16 O20 -","4","1","KH1094","Ohba, S.","(1<i>R</i>*,2<i>R</i>*)-2-[(<i>S</i>*)-1-Benzyloxyethyl]-1-cyclopropyl Methyl Ketone (<i>Z</i>)-2,4-Dinitrophenylhydrazone","Acta Crystallographica Section C","1996","52","8","2118","2119","10.1107/S0108270196004283","","","0.71073","MoKα","","","0.0566","","","0.0541","","","","","1.89","1.89","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005275","15.328","0.007","15.621","0.006","12.427","0.004","103.18","0.03","93.98","0.04","110.49","0.03","2677","2","296","","","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H28 N2 O4 P2 S4 Zn -","- C20 H28 N2 O4 P2 S4 Zn -","- C80 H112 N8 O16 P8 S16 Zn4 -","4","2","MU1140","Zhu, D.-L.; Yu, Y.-P.; Guo, G.-C.; Zhuang, H.-H.; Huang, J.-S.; Liu, Q.; Xu, Z.; You, X.-Z.","<i>catena</i>-Poly[bis(<i>O</i>,<i>O</i>'-diethyldithiophosphato-<i>S</i>)zinc(II)-μ-4,4'-bipyridyl-<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","1996","52","8","1963","1966","10.1107/S010827019600368X","","","0.71073","MoKα","","","0.055","","","0.07","","","","","1.68","1.68","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005276","9.942","0.002","9.245","0.002","20.982","0.004","90","0.02","99.12","0.02","90","0.02","1904.2","0.7","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Zinc-meso-tetra-p-tolylporphyrin","","- C48 H36 N4 Zn -","- C48 H36 N4 Zn -","- C96 H72 N8 Zn2 -","2","0.5","MU1248","Dastidar, P.; Goldberg, I.","Zinc‒<i>meso</i>-tetra-<i>p</i>-tolylporphyrin and its Chlorotoluene Channel-Type Clathrate with π‒π and C—H···π Interaction Modes Stabilizing the Porphyrin Host Lattice","Acta Crystallographica Section C","1996","52","8","1976","1980","10.1107/S0108270196002338","","","0.7107","MoKα","","0.0594","0.0473","","0.1461","0.1352","","","","1.012","1.034","1.034","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005277","32.468","0.009","9.532","0.001","15.048","0.002","90","0.01","112.03","0.02","90","0.01","4317.1","1.5","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","zinc-meso-tetra-p-tolylporphyrin m-chlorotoluene solvate","","- C55 H43 Cl N4 Zn -","- C48 H36 N4 Zn -","- C192 H144 N16 Zn4 -","4","0.5","MU1248","Dastidar, P.; Goldberg, I.","Zinc‒<i>meso</i>-tetra-<i>p</i>-tolylporphyrin and its Chlorotoluene Channel-Type Clathrate with π‒π and C—H···π Interaction Modes Stabilizing the Porphyrin Host Lattice","Acta Crystallographica Section C","1996","52","8","1976","1980","10.1107/S0108270196002338","","","0.7107","MoKα","","0.1391","0.0975","","0.2834","0.2656","","","","1.405","1.669","1.669","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005278","6.397","0.001","10.405","0.001","12.347","0.001","69.78","0.01","85.58","0.01","78.77","0.01","756.37","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis(N,N'-dimethylthiourea)silver(I) Perchlorate.","","- C6 H16 Ag Cl N4 O4 S2 -","- C6 H16 Ag Cl N4 O8 S2 -","- C12 H32 Ag2 Cl2 N8 O16 S4 -","2","1","MU1251","Pakawatchai, C.; Sivakumar, K.; Fun, H.-K.","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)silver(I) Perchlorate and Tris(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)silver(I) Perchlorate","Acta Crystallographica Section C","1996","52","8","1954","1957","10.1107/S0108270196002971","","","0.71073","MoKα","","0.046","0.0384","","0.1148","0.1104","","","","1.044","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005279","9.887","0.001","10.096","0.001","10.687","0.001","90.96","0.01","105.68","0.01","95.15","0.01","1021.99","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Tris(N,N'-dimethylthiourea)silver(I) Perchlorate.","","- C9 H24 Ag Cl N6 O4 S3 -","- C9 H24 Ag Cl N6 O4 S3 -","- C18 H48 Ag2 Cl2 N12 O8 S6 -","2","1","MU1251","Pakawatchai, C.; Sivakumar, K.; Fun, H.-K.","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)silver(I) Perchlorate and Tris(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)silver(I) Perchlorate","Acta Crystallographica Section C","1996","52","8","1954","1957","10.1107/S0108270196002971","","","0.71073","MoKα","","0.035","0.0318","","0.0861","0.0844","","","","1.08","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005280","13.329","0.002","13.647","0.001","14.467","0.001","89.7","0.01","79.47","0.01","80.09","0.01","2547.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Isothiocyanatotris(triphenylphosphine)silver(I) chloroform solvate","","- C56 H46 Ag Cl3 N P3 S -","- C56 H46 Ag Cl3 N P3 S -","- C112 H92 Ag2 Cl6 N2 P6 S2 -","2","1","MU1253","Othman, A. H.; Fun, H.-K.; Sivakumar, K.; Farina, Y.; Baba, I.","(Thiocyanato-<i>N</i>)tris(triphenylphosphine)silver(I) Chloroform Solvate","Acta Crystallographica Section C","1996","52","8","1933","1935","10.1107/S0108270196003733","","","0.71073","MoKα","","0.0672","0.0513","","0.1641","0.1541","","","","1.059","1.144","1.144","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005281","8.3934","0.0008","10.009","0.001","11.954","0.001","71.137","0.008","94.378","0.008","93.974","0.009","946.48","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua[bis(3-aminopropyl)amine-N,N',N''](glutarato)copper tetrahydrate","","- C11 H33 Cu N3 O9 -","- C11 H33 Cu N3 O9 -","- C22 H66 Cu2 N6 O18 -","2","1","MU1258","Pajunen, A.; Pajunen, S.; Kivikoski, J.; Valkonen, J.","Aqua[bis(3-aminopropyl)amine-<i>N</i>,<i>N</i>',<i>N</i>''](glutarato-<i>O</i>)copper(II) Tetrahydrate","Acta Crystallographica Section C","1996","52","8","1901","1903","10.1107/S0108270196004064","","","0.71069","MoKα","","0.0604","0.0335","","0.0889","0.0807","","","","1.038","1.082","1.082","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005282","14.405","0.002","15.805","0.002","20.644","0.005","90","","99.61","0.02","90","","4634.1","1.4","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H48 Cl14 Cu4 N8 O5 -","- C22 H36 Cl14 Cu4 N8 O5 -","- C88 H144 Cl56 Cu16 N32 O20 -","4","0.5","NA1210","Jackson, G. E.; Voyé, A.; Bourne, S. A.","Bis[5,5-dichloro-4,6-dioxo-3,7-diaza-1,9-nonanediylbis(dimethylammonium)] Tetrachlorohexa-μ-chloro-μ~4~-oxo-tetracuprate(II)","Acta Crystallographica Section C","1996","52","8","1907","1908","10.1107/S0108270196002764","","","0.71073","MoKα","","","0.049","","","0.059","","","","","1.094","1.094","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005283","5.935","0.004","11.358","0.001","10.49","0.002","90","","94.66","0.01","90","","704.8","0.5","292","","292","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bisthiourea-cadmium perrhenate","","- C2 H8 Cd N4 O8 Re2 S2 -","- C2 H8 Cd N4 O8 Re2 S2 -","- C4 H16 Cd2 N8 O16 Re4 S4 -","2","0.5","NA1219","Petrova, R.; Angelova, O.; Macícek, J.","Molecular Adducts of Inorganic Salts. VI. The Dimorphism of Cd(ReO~4~)~2~.2tu (tu = Thiourea)","Acta Crystallographica Section C","1996","52","8","1935","1939","10.1107/S010827019600412X","","","0.71073","MoKα","","0.038","0.031","","0.044","0.044","","","","0.98","0.996","0.996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005284","8.931","0.002","9.066","0.003","10.125","0.001","76.46","0.02","67.08","0.01","66.39","0.03","688.9","0.3","292","","292","","","","","","","","","7","P -1","-P 1","2","","Bisthiourea-cadmium perrhenate","","- C2 H8 Cd N4 O8 Re2 S2 -","- C2 H8 Cd N4 O8 Re2 S2 -","- C4 H16 Cd2 N8 O16 Re4 S4 -","2","1","NA1219","Petrova, R.; Angelova, O.; Macícek, J.","Molecular Adducts of Inorganic Salts. VI. The Dimorphism of Cd(ReO~4~)~2~.2tu (tu = Thiourea)","Acta Crystallographica Section C","1996","52","8","1935","1939","10.1107/S010827019600412X","","","0.71073","MoKα","","0.064","0.038","","0.057","0.054","","","","1.091","1.041","1.041","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005285","12.987","0.002","24.929","0.002","15.472","0.002","90","","92","0.02","90","","5006.1","1.1","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H54 Cl3 N P2 Ru -","- C57 H54 Cl3 N P2 Ru -","- C228 H216 Cl12 N4 P8 Ru4 -","4","1","NA1221","Bianchini, C.; Masi, D.; Peruzzini, M.; Romerosa, A.; Zanobini, F.","<i>anti</i>,<i>mer</i>-[Bis(2-diphenylphosphinoethyl)(<i>n</i>-propyl)amine-<i>N</i>,<i>P</i>,<i>P</i>'](phenylethynyl)[(<i>Z</i>)-1-<i>p</i>-tolyl-4-phenyl-η^3^-but-1-en-3-ynyl]ruthenium(II) Chloroform Solvate","Acta Crystallographica Section C","1996","52","8","1973","1976","10.1107/S0108270196002776","","","0.71073","MoKα","","","0.0625","","","0.1516","","","","","1.017","1.017","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005286","8.566","0.002","14.191","0.004","7.246","0.002","91.63","0.02","114.41","0.09","91.42","0.02","801.1","0.7","295","","298","","","","","","","","","5","P -1","-P 1","2","","3,4-dihydro-6-(3'-methylbenzyl)-2-(2-methylpropyl)thio-4-oxopyrimidine","","- C16 H20 N2 O S -","- C16 H20 N2 O S -","- C32 H40 N4 O2 S2 -","2","1","NA1234","Ettorre, A.; Mai, A.; Artico, M.; Massa, S.; De Montis, A.; La Colla, P.","6-(3-Methylbenzyl)-2-(2-methylpropyl)thio-4(3<i>H</i>)-pyrimidinone (DABO 622)","Acta Crystallographica Section C","1996","52","8","2115","2117","10.1107/S0108270196006117","","","1.54178","CuKα","","","0.056","","","0.067","","","","","1.9","1.9","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005287","17.0543","0.0007","9.6959","0.0006","35.025","0.002","90","","96.813","0.004","90","","5750.7","0.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-Chlorophenyl)-4-hydroxy-N,N-dimethyl-α,α-diphenyl- 1-piperidinebutanamide-N-oxide","","- C29 H37.5 Cl N2 O5.25 -","- C29 H39 Cl N2 O7 -","- C232 H312 Cl8 N16 O56 -","8","1","NA1244","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","4-(4-Chlorophenyl)-4-hydroxy-<i>N</i>,<i>N</i>-dimethyl-α,α-diphenyl-1-piperidinebutanamide <i>N</i>-Oxide Hydrate (Loperamide <i>N</i>-Oxide Hydrate)","Acta Crystallographica Section C","1996","52","8","2100","2102","10.1107/S0108270196005884","","","1.54184","CuKα","","0.0637","0.0489","","0.1407","0.1403","","","","1.057","1.054","1.054","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005288","10.622","0.002","18.234","0.001","10.4","0.002","95.31","0.01","120.16","0.01","96.62","0.01","1703.2","0.5","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- H34 Mo9 N6 O35 -","- Mo9 N6 O35 -","- Mo18 N12 O70 -","2","1","OH1091","Yamase, T.; Sugeta, M.; Ishikawa, E.","Zigzag Chain Structure of Hexaammonium Enneamolybdate Pentahydrate","Acta Crystallographica Section C","1996","52","8","1869","1872","10.1107/S010827019501585X","","","0.71069","MoKα","","","0.0414","","","0.0337","","","","","1.826","1.826","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005289","8.349","0.0007","17.725","0.002","10.129","0.002","90","","90.866","0.009","90","","1498.8","0.4","293","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Ag Cu N2 O10 -","- C10 H17 Ag Cu N2 O10 -","- C40 H68 Ag4 Cu4 N8 O40 -","4","1","PA1208","Brouca-Cabarrecq, C.; Marrot, B.; Mosset, A.","A New Bimetallic Complex of Ethylenediaminetetraacetic Acid: Ag[Cu(C~10~H~13~N~2~O~8~)(H~2~O)].H~2~O","Acta Crystallographica Section C","1996","52","8","1903","1906","10.1107/S0108270195014715","","","1.54184","CuKα","","","0.0297","","","0.0331","","","","","0.883","0.883","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005290","13.401","0.004","9.103","0.002","12.375","0.008","90","","103.84","0.03","90","","1465.8","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Nitro-4-methylaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","1","PA1210","Ellena, J.; Punte, G.; Rivero, B. E.","4-Methyl-2-nitroaniline","Acta Crystallographica Section C","1996","52","8","2074","2076","10.1107/S0108270195016234","","","0.71073","MoKα","","0.1097","0.0533","","0.0937","0.0729","","","","1.38","1.458","1.458","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005291","9.285","0.003","18.287","0.008","19.427","0.006","90","","99.55","0.04","90","","3253","2","296","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Au Cl Fe N P -","- C36 H37 Au Cl Fe N P -","- C144 H148 Au4 Cl4 Fe4 N4 P4 -","4","1","PA1217","Viotte, M.; Gautheron, B.; Parish, R. G.; Pritchard, R. G.","Chloro[(α-dimethylamino[3]ferrocenophan-2-yl)diphenylphosphino]gold(I) Benzene Solvate","Acta Crystallographica Section C","1996","52","8","1891","1894","10.1107/S0108270196001928","","","0.71069","MoKα","","","0.068","","","0.064","","","","","2.97","2.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005292","9.8355","0.0004","8.2688","0.0004","14.7126","0.0008","90","","107.567","0.004","90","","1140.74","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","trimethyl(10E,12E)-cis-bicyclo[12.3.0] heptadeca10,12-diene-4,17-dione-1,8,8-tricarboxylate","","- C23 H30 O8 -","- C23 H30 O8 -","- C46 H60 O16 -","2","1","PT1020","Drouin, M.; Couturier, M.; Crevisy, C.; Dory, Y. L.; Deslongchamps, P.","Two 14-Membered Macrocycles with <i>trans</i>-<i>trans</i> and <i>trans</i>-<i>cis</i> Dienes. Trimethyl (2<i>E</i>,4<i>E</i>)-<i>cis</i>- and Trimethyl (2<i>Z</i>,4<i>E</i>)-<i>trans</i>-11,15-Dioxobicyclo[12.3.0]heptadeca-2,4-diene-7,7,14-tricarboxylate","Acta Crystallographica Section C","1996","52","8","2084","2087","10.1107/S0108270195016817","","","1.54184","CuKα","","0.0505","0.0413","","0.1121","0.1055","","","","1.049","1.101","1.101","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005293","13.6059","0.0006","15.6454","0.0006","10.684","0.0005","90","","95.735","0.004","90","","2262.92","0.17","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trimethyl(10E,12Z)-trans-bicyclo[12.3.0] heptadeca10,12-diene-4,17-dione-1,8,8-tricarboxylate","","- C23 H30 O8 -","- C23 H30 O8 -","- C92 H120 O32 -","4","1","PT1020","Drouin, M.; Couturier, M.; Crevisy, C.; Dory, Y. L.; Deslongchamps, P.","Two 14-Membered Macrocycles with <i>trans</i>-<i>trans</i> and <i>trans</i>-<i>cis</i> Dienes. Trimethyl (2<i>E</i>,4<i>E</i>)-<i>cis</i>- and Trimethyl (2<i>Z</i>,4<i>E</i>)-<i>trans</i>-11,15-Dioxobicyclo[12.3.0]heptadeca-2,4-diene-7,7,14-tricarboxylate","Acta Crystallographica Section C","1996","52","8","2084","2087","10.1107/S0108270195016817","","","1.54184","CuKα","","0.152","0.072","","0.1","0.077","","","","","1.32","1.32","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005294","13.183","0.006","7.833","0.002","27.8","0.01","90","","90.56","0.04","90","","2870.6","1.8","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetrakis(1,2-dihydro-1-methyl-azine-2-thione)copper(I)tetrafluoroborate","","- C24 H28 B Cu F4 N4 S4 -","- C24 H28 B Cu F4 N4 S4 -","- C96 H112 B4 Cu4 F16 N16 S16 -","4","1","SK1022","Giusti, G.; Geier, G.; Currao, A.; Nesper, R.","Thione Compounds of Copper and Silver: Tetrakis[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]copper(I) Tetrafluoroborate and Tetrakis-[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]silver(I) Tetrafluoroborate","Acta Crystallographica Section C","1996","52","8","1914","1917","10.1107/S0108270196003666","","","0.71073","MoKα","","0.0565","0.0493","","0.1541","0.1326","","","","1.049","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005295","13.35","0.003","7.755","0.003","28.028","0.008","90","","90.15","0.02","90","","2901.7","1.5","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetrakis(1,2-dihydro-1-methyl-azine-2-thione)silver(I)tetrafluoroborat","","- C24 H28 Ag B F4 N4 S4 -","- C24 H28 Ag B F4 N4 S4 -","- C96 H112 Ag4 B4 F16 N16 S16 -","4","1","SK1022","Giusti, G.; Geier, G.; Currao, A.; Nesper, R.","Thione Compounds of Copper and Silver: Tetrakis[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]copper(I) Tetrafluoroborate and Tetrakis-[1-methyl-2(1<i>H</i>)-pyridinethione-<i>S</i>]silver(I) Tetrafluoroborate","Acta Crystallographica Section C","1996","52","8","1914","1917","10.1107/S0108270196003666","","","0.71073","MoKα","","0.0502","0.0452","","0.1282","0.1215","","","","1.075","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005296","8.704","0.001","12.636","0.001","17.819","0.002","90","","90","","90","","1959.8","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2R,2(1S),4S]-2-(2-Oxocyclopentyl)-4-phenyl-3-(p-toluenesulfonyl)- 1,3-oxazolidine","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","SK1036","Bolte, M.; Berger, B.","An Arylsulfonyloxazolidine","Acta Crystallographica Section C","1996","52","8","1987","1989","10.1107/S0108270196007718","","","1.5418","CuKα","","0.029","0.0286","","0.0815","0.0811","","","","1.018","1.026","1.026","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005297","11.916","0.003","6.132","0.001","17.832","0.003","90","","101.88","0.01","90","","1275.1","0.4","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 S -","- C13 H14 N3 O2 S2 -","- C52 H56 N12 O8 S8 -","4","1","SZ1014","Henry, R.; Copp, R. R.; Wong, C. F.","<i>N</i>-[1-(2-Benzo[<i>b</i>]thienyl)ethyl]-<i>N</i>'-carbamoylurea and 1-[1-(2-Benzo[<i>b</i>]thienyl)ethyl][1,3,5]triazine-2,4,6-trione Methanol Solvate","Acta Crystallographica Section C","1996","52","8","2032","2035","10.1107/S0108270195017215","","","1.54178","CuKα","","","0.043","","","0.042","","","","","2.91","2.91","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005298","17.124","0.002","5.7739","0.0009","15.34","0.01","90","","91.2","0.02","90","","1516.4","1","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O4 S -","- C14 H15 N3 O4 S -","- C56 H60 N12 O16 S4 -","4","1","SZ1014","Henry, R.; Copp, R. R.; Wong, C. F.","<i>N</i>-[1-(2-Benzo[<i>b</i>]thienyl)ethyl]-<i>N</i>'-carbamoylurea and 1-[1-(2-Benzo[<i>b</i>]thienyl)ethyl][1,3,5]triazine-2,4,6-trione Methanol Solvate","Acta Crystallographica Section C","1996","52","8","2032","2035","10.1107/S0108270195017215","","","1.54178","CuKα","","","0.05","","","0.064","","","","","3","3","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005299","10.144","0.004","10.962","0.003","15.683","0.003","90","","90","","90","","1743.9","0.9","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","SZ1020","Sivaraman, J.; Subramanian, K.; Vasanth, S.","Leonotinin","Acta Crystallographica Section C","1996","52","8","2043","2045","10.1107/S0108270195010195","","","0.71073","MoKα","","","0.057","","","0.058","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005300","26.287","0.005","7.44","0.002","17.775","0.004","90","","127.64","0.02","90","","2752.8","1.3","273","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C128 H160 O24 -","8","1","SZ1027","Kabaleeswaran, V.; Rajan, S. S.; Kalena, G. P.; Pradhan, P.; Banerji, A.","(1α,3α,11α)-2,2,11-Trimethyl-14-oxatetracyclo[6.5.0.1^7,11^.0^3,8^]tetradec-6-ene-5,9-dione","Acta Crystallographica Section C","1996","52","8","1981","1983","10.1107/S0108270195010201","","","1.5418","CuKα","","","0.041","","","0.051","","","","","0.75","0.75","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005301","10.563","0.002","16.902","0.002","9.297","0.002","90","","90","","90","","1659.8","0.5","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(1',3'-dioxolan-2'-yl)-2-methyl-6-nitro -4-(2'-oxopyrrolidin-1'-yl)-2H-1-benzopyran","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","TA1029","Shin, W.; Chae, C. H.; Yoo, S. E.","Antihypertensive 2-(1,3-Dioxolan-2-yl)-2-methyl-6-nitro-4-(2-oxo-1-pyrrolidinyl)-2<i>H</i>-1-benzopyran","Acta Crystallographica Section C","1996","52","8","2058","2060","10.1107/S010827019600248X","","","1.54184","CuKα","","0.0486","0.0341","","0.1335","0.0907","","","","1.495","1.08","1.08","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005302","8.809","0.001","10.42","0.001","9.642","0.001","90","","90","","90","","885.04","0.16","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,4'-Oxybispyridine","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","TA1056","Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","4,4'-Oxybispyridine and 4,4'-Selenobispyridine","Acta Crystallographica Section C","1996","52","8","2040","2042","10.1107/S0108270195014843","","","1.5418","CuKα","","","0.048","","0.098","0.078","","","","0.838","0.838","0.838","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005303","8.609","0.002","5.769","0.002","10.478","0.003","72.81","0.04","70.12","0.02","80.92","0.03","466.6","0.3","291","1","291","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Selenobispyridine","","- C10 H8 N2 Se -","- C10 H8 N2 Se -","- C20 H16 N4 Se2 -","2","1","TA1056","Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","4,4'-Oxybispyridine and 4,4'-Selenobispyridine","Acta Crystallographica Section C","1996","52","8","2040","2042","10.1107/S0108270195014843","","","1.5418","CuKα","","0.039","0.039","","0.105","0.094","","","","1.068","","","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005304","6.7134","0.0008","9.8931","0.0009","17.485","0.001","90","","92.101","0.008","90","","1160.51","0.19","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","TA1064","Linetsky, M.; Zaragoza, F.; Bott, S. G.; Marchand, A. P.","Two Methylated Hexacyclic Cage Diketones","Acta Crystallographica Section C","1996","52","8","2061","2063","10.1107/S0108270196001667","","","0.71073","MoKα","","","0.0384","","","0.0416","","","","","1.36","1.36","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005305","7.175","0.001","12.0275","0.0008","7.275","0.001","90","","95.51","0.009","90","","624.91","0.13","294","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","0.5","TA1064","Linetsky, M.; Zaragoza, F.; Bott, S. G.; Marchand, A. P.","Two Methylated Hexacyclic Cage Diketones","Acta Crystallographica Section C","1996","52","8","2061","2063","10.1107/S0108270196001667","","","0.71073","MoKα","","","0.0676","","","0.0805","","","","","2.1","2.1","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005306","9.932","0.001","35.972","0.006","30.363","0.004","90","","90","","90","","10848","3","293","1","293","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H25 N O Se Sn -","- C31 H25 N O Se Sn -","- C496 H400 N16 O16 Se16 Sn16 -","16","2","TA1069","Fong, M. C.; Gable, R. W.; Schiesser, C. H.","<i>N</i>-Phenyl-2-(triphenylstannylseleno)benzamide and 2-Methylseleno-<i>N</i>-phenylbenzamide","Acta Crystallographica Section C","1996","52","8","1886","1889","10.1107/S0108270196000790","","","0.71073","MoKα","","0.0779","0.039","","0.0786","0.0625","","","","1.022","1.141","1.141","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005307","9.777","0.002","16.692","0.002","15.82","0.001","90","","90","","90","","2581.8","0.6","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-methylseleno-N-phenylbenzamide","","- C14 H13 N O Se -","- C14 H13 N O Se -","- C112 H104 N8 O8 Se8 -","8","1","TA1069","Fong, M. C.; Gable, R. W.; Schiesser, C. H.","<i>N</i>-Phenyl-2-(triphenylstannylseleno)benzamide and 2-Methylseleno-<i>N</i>-phenylbenzamide","Acta Crystallographica Section C","1996","52","8","1886","1889","10.1107/S0108270196000790","","","1.5418","CuKα(nickelfiltered)","","0.0392","0.029","","0.0795","0.0731","","","","1.049","1.08","1.08","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005308","8.754","0.002","8.91","0.001","12.992","0.002","90","","90","","90","","1013.4","0.3","158","2","158","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2,6,6-Tetramethylpiperidinium chloride","","- C9 H20 Cl N -","- C9 H20 Cl N -","- C36 H80 Cl4 N4 -","4","1","TA1077","Kaplan, R. W.; Turnbull, M. M.","2,2,6,6-Tetramethylpiperidinium Chloride","Acta Crystallographica Section C","1996","52","8","2049","2051","10.1107/S0108270196001679","","","0.71073","MoKα","","0.0551","0.0405","","0.0845","0.0804","","","","0.819","0.889","0.889","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005309","11.663","0.002","10.187","0.002","27.703","0.005","90","","102.3","0.1","90","","3215.9","1.6","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3α,3aβ,5α,6α)-(+/-)-3,5-Bis-(methoxycarbonyl)-3a-methyl-6-phenyl tetrahydro-2H-pyran-2-one","","- C16 H18 O6 -","- C16 H18 O6 -","- C128 H144 O48 -","8","2","TA1078","Fallon, G. D.; Lawrence, R. M.; Perlmutter, P.","(±)-3α,5α-Bis(methoxycarbonyl)-3β-methyl-6α-phenyltetrahydro-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1996","52","8","2067","2069","10.1107/S0108270196002089","","","1.5418","CuKα","","","0.0677","","","0.0628","","","","","1.584","1.584","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005310","8.971","0.001","15.511","0.002","8.329","0.001","102.85","0.01","111.46","0.01","73.67","0.01","1025.8","0.2","293","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N4 O12 V4 -","- C36 H46 N4 O12 V4 -","- C36 H46 N4 O12 V4 -","1","0.5","TA1088","Kumagai, H.; Endo, M.; Kawata, S.; Kitagawa, S.","A Mixed-Valence Tetranuclear Vanadium(IV, V) Complex, [V~4~O~4~(μ-OEt)~2~(μ-O)~2~(OEt)~4~(phen)~2~]","Acta Crystallographica Section C","1996","52","8","1943","1945","10.1107/S0108270196005781","","","0.7107","MoKα","","","0.06","","","0.054","","","","","3.53","3.53","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005311","7.471","0.004","21.635","0.004","10.346","0.003","90","","104.32","0.03","90","","1620.3","1.1","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O6 Sn -","- C16 H16 O6 Sn -","- C64 H64 O24 Sn4 -","4","1","TA1090","Basu Baul, T. S.; Tiekink, E. R. T.","Bis(2-hydroxybenzoato-<i>O</i>,<i>O</i>')dimethyltin","Acta Crystallographica Section C","1996","52","8","1959","1961","10.1107/S0108270196005057","","","0.7107","MoKα","","0.064","0.064","","0.085","0.085","","","","1.267","1.267","1.267","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005312","20.992","0.002","6.948","0.001","10.083","0.001","90","","102.15","0.01","90","","1437.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H16 N8 O5 S -","- C8 H16 N8 O5 S -","- C32 H64 N32 O20 S4 -","4","1","VJ1008","Gomes, A. C.; Biswas, G.; Pain (Biswas), S.; Ghosh, S.; Ghosh, D.; Iitaka, Y.; Banerjee, A.","Bis(2,4-diaminopyrimidinium) Sulfate Monohydrate, 2C~4~H~7~N~4~^+^.SO~4~^2{-^}.H~2~O","Acta Crystallographica Section C","1996","52","8","2020","2022","10.1107/S0108270195009656","","","1.5418","CuKα","","0.0568","0.0549","","0.1631","0.1514","","","","1.087","1.096","1.096","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005313","9.5704","0.0009","13.364","0.002","8.748","0.002","90","","108.83","0.01","90","","1059","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ferron","7-Iodo-8-hydroxyquinoline-5-sulfonic Acid","","- C9 H6 I N O4 S -","- C9 H6 I N O4 S -","- C36 H24 I4 N4 O16 S4 -","4","1","VJ1024","Balasubramanian, T.; Muthiah, P. T.","Hydrogen-Bonding Patterns in Substituted Oxines. Redetermination of 8-Hydroxy-7-iodoquinoline-5-sulfonic Acid","Acta Crystallographica Section C","1996","52","8","2072","2073","10.1107/S0108270195010286","","","0.71073","MoKα","","0.0398","0.0298","","0.0743","0.0689","","","","1.077","1.097","1.097","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005314","5.84","0.003","8.063","0.006","12.923","0.007","90","","101.74","0.06","90","","595.8","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 6-O-[(R)-1-Carboxyethyl]-α-D-galactopyranoside","","- C10 H18 O8 -","- C10 H18 O8 -","- C20 H36 O16 -","2","1","AB1291","Eriksson, L.; Pilotti, Å.; Stenutz, R.; Widmalm, G.","Methyl 6-<i>O</i>-[(<i>R</i>)-1-Carboxyethyl]-α-<small>D</small>-galactopyranoside","Acta Crystallographica Section C","1996","52","9","2285","2287","10.1107/S0108270196003411","","","1.54184","CuKα","","0.0817","0.0562","","0.16","0.1411","","","","1.072","1.111","1.111","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005315","5.6286","0.0007","10.257","0.001","12.0111","0.0005","100.924","0.007","100.118","0.006","101.45","0.01","650.72","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H12 N2 O5 -","- C13 H11.55 N2 O5 -","- C26 H23.1 N4 O10 -","2","1","AB1339","Vencato, I.; Gallardo, H.; Meyer, E.","4-(5-Methyl-1,3,4-oxadiazol-2-yl)-1,3-phenylene Diacetate","Acta Crystallographica Section C","1996","52","9","2301","2303","10.1107/S0108270196004039","","","0.71073","MoKα","","0.0548","0.0417","","0.1421","0.123","","","","1.083","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005316","10.898","0.0013","7.6993","0.0006","20.713","0.002","90","","103.971","0.008","90","","1686.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","meta-diphenylcarborane","1,7-diphenyl-1,7-dicarbadodecaborane","","- C14 H20 B10 -","- C14 H20 B10 -","- C56 H80 B40 -","4","1","AB1346","Rosair, G. M.; Welch, A. J.; Weller, A. S.","Redetermination of 1,7-Diphenyl-1,7-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1996","52","9","2221","2222","10.1107/S0108270196002107","","","0.71073","MoKα","","0.0945","0.0601","","0.2465","0.1477","","","","1.02","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005317","9.673","0.001","20.021","0.002","10.571","0.002","90","","90.89","0.01","90","","2047","0.5","295","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H29 B10 P -","- C14 H29 B10 P -","- C56 H116 B40 P4 -","4","1","AB1350","Sillanpää, R.; Kivekäs, R.; Teixidor, F.; Viñas, C.; Nuñez, R.","1-Diisopropylphosphino-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1996","52","9","2223","2225","10.1107/S0108270196004349","","","0.71073","MoKα","","","0.057","","","0.058","","","","","1.626","1.626","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005318","8.999","0.001","18.174","0.002","7.857","0.001","90","","109.86","0.01","90","","1208.6","0.3","290","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Cl2 Cu N4 O2 -","- C20 H44 Cl2 Cu N4 O2 -","- C40 H88 Cl4 Cu2 N8 O4 -","2","0.5","AS1220","Choi, K.-Y.; Kim, J. C.; Jensen, W. P.; Suh, I.-H.; Choi, S.-S.","Copper(II) and Nickel(II) Complexes with 3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane, [<i>M</i>(C~20~H~40~N~4~)]Cl~2~.2H~2~O (<i>M</i> = Cu^II^ and Ni^II^)","Acta Crystallographica Section C","1996","52","9","2166","2168","10.1107/S0108270196002600","","","0.71073","MoKα","","","0.026","","","0.021","","","","","2.67","2.67","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005319","9.376","0.001","16.042","0.001","8.177","0.002","90","","102.51","0.01","90","","1200.7","0.3","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Cl2 N4 Ni O2 -","- C20 H44 Cl2 N4 Ni O2 -","- C40 H88 Cl4 N8 Ni2 O4 -","2","0.5","AS1220","Choi, K.-Y.; Kim, J. C.; Jensen, W. P.; Suh, I.-H.; Choi, S.-S.","Copper(II) and Nickel(II) Complexes with 3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane, [<i>M</i>(C~20~H~40~N~4~)]Cl~2~.2H~2~O (<i>M</i> = Cu^II^ and Ni^II^)","Acta Crystallographica Section C","1996","52","9","2166","2168","10.1107/S0108270196002600","","","0.71073","MoKα","","","0.039","","","0.024","","","","","1.45","1.45","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005320","9.748","0.002","19.08","0.003","9.955","0.002","90","","109.14","0.01","90","","1749.2","0.6","291","","291","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 F8 -","- C20 H10 F8 -","- C80 H40 F32 -","4","1","BK1151","Swenson, D. C.; Morken, P. A.; Burton, D. J.","C~20~H~10~F~8~, a Divinyl Acetylene","Acta Crystallographica Section C","1996","52","9","2349","2351","10.1107/S0108270196004441","","","1.54184","CuKα","","0.078","0.05","","","0.076","","","","","1.46","1.46","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005321","41.121","0.002","7.039","0.002","7.085","0.002","90","","94.9","0.01","90","","2043.3","0.8","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Biphenyl-3-carboxylic acid","","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","1","BK1218","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Biphenyl-3-carboxylic Acid at 296 and 203K","Acta Crystallographica Section C","1996","52","9","2320","2323","10.1107/S0108270196003514","","","0.71073","MoKα","","","0.044","","","0.056","","","","","1.98","1.98","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005322","41.065","0.003","6.965","0.003","7.051","0.003","90","","94.83","0.02","90","","2009.5","1.2","203","","203","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Biphenyl-3-carboxylic acid","","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","1","BK1218","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Biphenyl-3-carboxylic Acid at 296 and 203K","Acta Crystallographica Section C","1996","52","9","2320","2323","10.1107/S0108270196003514","","","0.71073","MoKα","","","0.039","","","0.049","","","","","1.79","1.79","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005323","18.244","0.006","5.403","0.002","24.48","0.008","90","","106.94","0.05","90","","2308.3","1.5","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,4,6-tri-O-benzyl-myo-inositol","","- C27 H30 O6 -","- C27 H28 O6 -","- C108 H112 O24 -","4","1","BK1230","Graingeot, V.; Brigando, C.; Benlian, D.","2,4,6-Tri-<i>O</i>-benzyl-<i>myo</i>-inositol","Acta Crystallographica Section C","1996","52","9","2283","2285","10.1107/S0108270196004684","","","0.71073","MoKα","","","0.048","","","0.06","","","","","2.1","2.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005324","18.13","0.006","12.194","0.004","8.461","0.003","90","","108.82","0.03","90","","1770.5","1.1","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3,5-(o-tolyl)-1,2-dithia-4-azolylium hexafluoroarsenate(V)","","- C16 H14 As F6 N S2 -","- C16 H14 As F6 N S2 -","- C64 H56 As4 F24 N4 S8 -","4","0.5","BK1238","Clegg, W.; Elsegood, M. R. J.; Banister, A. J.; Hibbert, T. G.","The AsF~6~^{-^} Salt of a 1,2-Dithia-4-azolylium Cation with Sterically Demanding Substituents","Acta Crystallographica Section C","1996","52","9","2148","2150","10.1107/S010827019600563X","","","0.71073","MoKα","","0.0417","0.0362","","0.0971","0.094","","","","1.091","1.117","1.117","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005325","8.785","0.004","15.306","0.007","14.573","0.003","90","","97","0.03","90","","1944.9","1.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Cl2 N3 O3 -","- C22 H12 Cl2 N3 O4 -","- C88 H48 Cl8 N12 O16 -","4","1","BM1017","Qi, F.; Yu, W.-T.; Hong, L.; Lin, X.-Y.; Yu, Z.-P.","The Charge-Transfer Complex 4-(2-Hydroxyethyl)carbazole‒2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (1/1) (HEK‒DDQ)","Acta Crystallographica Section C","1996","52","9","2274","2277","10.1107/S0108270196002375","","","0.71073","MoKα","","","0.0614","","","0.064","","","","","1.588","1.588","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005326","9.543","0.004","10.279","0.001","12.231","0.005","90","","90","","90","","1199.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-1-(2-deoxy-β-D-ribofuranosyl)-5,6,7-1H- cyclopentapyridine-2-one","","- C12 H17 N3 O4 -","- C12 H17 N3 O4 -","- C48 H68 N12 O16 -","4","1","BM1048","Neidle, S.; Capaldi, D. C.; Reese, C. B.; Roselt, P. D.","4-Amino-1-(2-deoxy-β-<small>D</small>-ribofuranosyl)-6,7-dihydro-1<i>H</i>,5<i>H</i>-cyclopentapyrimidine-2-one","Acta Crystallographica Section C","1996","52","9","2332","2334","10.1107/S0108270196002582","","","0.71073","MoKα","","0.059","0.0493","","0.1124","0.1103","","","","0.969","1.059","1.059","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005327","14.293","0.001","5.98","0.001","21.66","0.002","90","","106.58","0.04","90","","1774.4","0.5","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 Ni O S -","- C25 H9 N2 Ni O S -","- C100 H36 N8 Ni4 O4 S4 -","4","1","BM1052","Tahir, M. N.; Ülkü, D.; Atakol, O.; Kenar, A.","(Cyclohexylamine-<i>N</i>){2-[(2-thiophenyl)iminomethyl]phenolato-<i>O</i>,<i>N</i>,<i>S</i>}nickel(II)","Acta Crystallographica Section C","1996","52","9","2178","2180","10.1107/S0108270196006130","","","0.71073","MoKα","","","0.052","","","0.058","","","","","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005328","6.93","0.004","9.597","0.006","10.169","0.007","80.1","0.03","89.94","0.06","73.22","0.02","637","0.7","296","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C24 H34 N2 O6 -","2","1","BM1059","Hussain, M. S.; Ul-Haque, M.","<i>O</i>-Acetyl-<i>N</i>-(<i>o</i>-hydroxybenzyl)-<i>N</i>-isopropylhydroxylamine","Acta Crystallographica Section C","1996","52","9","2343","2345","10.1107/S0108270196003332","","","0.71073","MoKα","","","0.038","","","0.045","","","","","1.05","1.05","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005329","19.685","0.001","11.023","0.002","8.881","0.003","90","0.2","98.4","0.3","90","0.3","1906.4","1.6","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl N3 O -","- C23 H18 Cl N3 O -","- C92 H72 Cl4 N12 O4 -","4","1","BM1067","Baouid, A.; Hasnaoui, A.; Benharref, A.; Giorgi, M.; Pierrot, M.","1-(4-Chlorophenyl)-3a-methyl-5-phenyl-3a,4-dihydro-1,2,4-oxadiazolo[4,5-<i>a</i>][1,5]benzodiazepine","Acta Crystallographica Section C","1996","52","9","2281","2282","10.1107/S0108270196004003","","","0.71073","Mo-Kα","","0.09","0.045","","","0.056","","","","","1.941","1.941","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:27",""
"2005330","7.326","0.001","12.868","0.001","14.098","0.001","90","","94.49","0.01","90","","1325","0.2","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-aminoethyl)piperaziniumtetrachloroindium(III)","","- C6 H16 Cl4 In N3 -","- C6 H16 Cl4 In N3 -","- C24 H64 Cl16 In4 N12 -","4","1","BM1077","Chippindale, A. M.; Brech, S. J.; Cowley, A. R.; Chernega, A. N.","[<i>N</i>-(2-Amino-κ<i>N</i>-ethyl)piperaziniumyl-<i>N</i>^1^]tetrachloroindium(III)","Acta Crystallographica Section C","1996","52","9","2180","2183","10.1107/S0108270196006002","","","0.71073","MoKα","","","0.0211","","","0.0206","","","","","1.1659","1.1659","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005331","11.609","0.008","5.717","0.003","15.293","0.008","90","","92.63","0.05","90","","1013.9","1","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[3-(4-Methylphenyl)-5-isoxazolyl]acetonitrile","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","BM1078","Kumar, N.; Mukherjee, S.; Parmar, V. S.; Errington, W.","[3-(4-Methylphenyl)-5-isoxazolyl]acetonitrile","Acta Crystallographica Section C","1996","52","9","2294","2296","10.1107/S010827019600491X","","","0.71073","MoKα","","0.0588","0.0501","","0.1532","0.1398","","","","1.041","1.058","1.058","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005332","9.686","0.003","17.512","0.004","15.47","0.005","90","","96.35","0.02","90","","2607.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 Mo N4 S7 -","- C15 H30 Mo N4 S7 -","- C60 H120 Mo4 N16 S28 -","4","1","BM1082","Coffey, T. A.; Forster, G. D.; Hogarth, G.","Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')(thionitrosyl-<i>N</i>)molybdenum(III), [Mo(η^2^-S~2~CNEt~2~)~3~(NS)]","Acta Crystallographica Section C","1996","52","9","2157","2159","10.1107/S010827019600707X","","","0.71073","MoKα","","0.0623","0.041","","0.1033","0.0858","","","","0.979","1.006","1.006","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005333","5.364","0.008","12.148","0.009","7.922","0.004","90","","108.87","0.06","90","","488.5","0.9","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Trilanthanum Trichloride Pyrosilicate","","- Cl3 La3 O7 Si2 -","- Cl3 La3 O7 Si2 -","- Cl6 La6 O14 Si4 -","2","1","BR1087","Chen, J.-T.; Guo, G.-C.; Huang, J.-S.; Zhang, Q.-E.","La~3~(Si~2~O~7~)Cl~3~","Acta Crystallographica Section C","1996","52","9","2123","2125","10.1107/S010827019501506X","","","0.71073","MoKα","","","0.0605","","","0.0918","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005334","13.377","0.004","5.589","0.004","10.983","0.003","90","","100.61","0.02","90","","807.1","0.7","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tetra Neodymium bis-Pyrosilicate Penta Vanadium Octa Oxygen","","- Nd4 O22 Si4 V5 -","- Nd4 O22 Si4 V5 -","- Nd8 O44 Si8 V10 -","2","0.25","BR1112","Chen, J.-T.; Guo, G.-C.; Zhuang, H.-H.; Huang, J.-S.; Zhang, Q.-E.","Nd~4~V~5~Si~4~O~22~","Acta Crystallographica Section C","1996","52","9","2125","2127","10.1107/S0108270195015058","","","0.71073","MoKα","","","0.0463","","","0.0585","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005335","13.4121","0.0001","13.6816","0.0001","13.8558","0.0001","90","","90","","90","","2542.53","0.03","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cd O12 Rb2 Si5 -","- Cd O12 Rb2 Si5 -","- Cd8 O96 Rb16 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","1.40285","synchrotron","","","0.073","","","0.165","","","","","0.903","0.903","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005336","13.6878","0.0003","13.7931","0.0003","13.7575","0.0003","90","","90","","90","","2597.38","0.1","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs2 Mn O12 Si5 -","- Cs2 Mn O12 Si5 -","- Cs16 Mn8 O96 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","1.29969","synchrotron","","","0.126","","","0.14","","","","","1.019","1.019","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005337","13.6487","0.0004","13.712","0.0004","13.6828","0.0004","90","","90","","90","","2560.75","0.13","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Co Cs2 O12 Si5 -","- Co Cs2 O12 Si5 -","- Co8 Cs16 O96 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","1.30138","synchrotron","","","0.059","","","0.128","","","","","0.821","0.821","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005338","13.6147","0.0003","13.6568","0.0005","13.6583","0.0005","90","","90","","90","","2539.53","0.14","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs2 Ni O12 Si5 -","- Cs2 Ni O12 Si5 -","- Cs16 Ni8 O96 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","0.9982","synchrotron","","","0.057","","","0.091","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005339","23.608","0.008","6.825","0.009","5.4908","0.0013","90","","90","","90","","884.7","1.2","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","Caesium Chloride - di caesium - bis(tellurium di vanadium heptaoxide)","","- Cl Cs3 O14 Te2 V4 -","- Cl Cs3 O14 Te2 V4 -","- Cl2 Cs6 O28 Te4 V8 -","2","0.25","BR1139","Marrot, J.; Savariault, J.-M.","Tricaesium Ditellurium Tetravanadium Chloride Tetradecaoxide","Acta Crystallographica Section C","1996","52","9","2129","2132","10.1107/S0108270196003198","","","0.71069","MoKα","","0.0422","0.0407","","0.1011","0.1001","","","","1.196","1.199","1.199","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005340","5.33","0.02","9.6","0.05","7.18","0.05","90","","105.16","0.01","90","","355","3","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Deuterated copper flurosilicate tetrahydrate","","- Cu D8 F6 O4 Si -","- Cu D8 F6 O4 Si -","- Cu2 D16 F12 O8 Si2 -","2","0.5","BR1141","Chevrier, G.; Goukassov, A.","The Hydrogen-Bonding System in Deuterated Copper Fluorosilicate Tetrahydrate: a Neutron Diffraction Study","Acta Crystallographica Section C","1996","52","9","2121","2123","10.1107/S0108270196003927","","neutron","1.52","neutron","","","0.0647","","","0.0465","","","","","5.713","5.713","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005341","10.128","0.002","3.5707","0.0006","9.868","0.002","90","","90","","90","","356.87","0.12","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","hafniumphoshide","Trihafniumdiphosphide","","- Hf3 P2 -","- Hf3 P2 -","- Hf12 P8 -","4","0.5","BR1144","Kleinke, H.; Franzen, H. F.","The Binary Hafnium Phosphide Hf~3~P~2~","Acta Crystallographica Section C","1996","52","9","2127","2129","10.1107/S0108270196004969","","","0.71069","MoKα","","0.0428","0.0293","","0.0574","0.0548","","","","1.085","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005342","5.7712","0.0003","10.513","0.001","21.633","0.002","94.09","0.01","90.114","0.006","105.871","0.006","1258.97","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[S-Methyl-β-N-(4-dimethylaminophenyl)methylenedithiocarbazido]- nickel(II).","","- C22 H28 N6 Ni S4 -","- C22 H28 N6 Ni S4 -","- C44 H56 N12 Ni2 S8 -","2","1","CF1065","Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","Bis[methyl <i>N</i>^{β^}-(4-dimethylaminophenylmethylene)dithiocarbazato]nickel(II)","Acta Crystallographica Section C","1996","52","9","2150","2153","10.1107/S010827019600385X","","","0.71073","MoKα","","0.0546","0.0388","","0.1002","0.0944","","","","0.938","1.032","1.032","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005343","21.2695","0.001","10.376","0.002","12.054","0.002","90","","117.297","0.01","90","","2364","0.6","180","","180","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(1-(2-pyridyl)-2-(2-thienyl)ethyne-N)-bis(nitrato-O,O')-cobalt(II)","","- C22 H14 Co N4 O6 S2 -","- C22 H14 Co N4 O6 S2 -","- C88 H56 Co4 N16 O24 S8 -","4","0.5","CF1076","Kooijman, H.; Spek, A. L.; Neenan, T. X.; Driessen, W. L.","Bis(nitrato-<i>O</i>,<i>O</i>')bis{2-[2-(2-thienyl)ethynyl]pyridine-<i>N</i>}cobalt(II)","Acta Crystallographica Section C","1996","52","9","2191","2193","10.1107/S0108270196005008","","","0.71073","MoKα","","","0.0697","","0.1725","0.1725","","","","0.977","0.97","0.97","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005344","5.618","0.004","7.995","0.004","13.428","0.006","77.85","0.04","85.55","0.06","80.46","0.04","580.9","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","rel-(1S, 4R, 7R, 9S)-tetracyclo[5.4.1.0^4,12^.0^9,12^]dodec-10- enylacetic acid","","- C14 H18 O2 -","- C14 H18 O2 -","- C28 H36 O4 -","2","1","CF1078","Wang, J.; Thommen, M.; Keese, R.","A Substituted <i>cis</i>,<i>trans</i>,<i>cis</i>,<i>cis</i>-[4.5.5.5]Fenestrene","Acta Crystallographica Section C","1996","52","9","2311","2313","10.1107/S0108270196003861","","","0.71073","MoKα","","0.0639","0.0419","","0.1181","0.1029","","","","1.029","1.092","1.092","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005345","13.44","0.009","7.205","0.009","22.388","0.009","90","","92.36","0.01","90","","2166","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(η^5-trimethylsilylcyclopentadienyl)-diiodo-titanium(IV)","","- C16 H26 I2 Si2 Ti -","- C16 H26 I2 Si2 Ti -","- C64 H104 I8 Si8 Ti4 -","4","0.5","CF1088","Drew, M. G. B.; Delgado, E.; Hernandez, E.; Baker, P. K.; Mansilla, N.","Diiodobis(η^5^-trimethylsilylcyclopentadienyl)titanium(IV)","Acta Crystallographica Section C","1996","52","9","2168","2170","10.1107/S0108270196006221","","","0.7107","MoKα","","0.1449","0.0653","","0.2789","0.1948","","","","0.609","0.563","0.563","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005346","13.272","0.002","9.2251","0.001","17.2566","0.001","90","0.06","90.39","0.01","90","0.06","2112.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,10-dichloro-6-(2,4 dimethyl phenoxy)-dibenzo [d,g][1,3,6,2] dioxathiaphosphocin-6-oxide.","","- C20 H15 Cl2 O3 P S2 -","- C20 H15 Cl2 O3 P S2 -","- C80 H60 Cl8 O12 P4 S8 -","4","1","DE1030","Krishnaiah, M.; Kumar, N. J.; Narasaiah, T. V.; Reddy, B. S.; Reddy, C. D.","2,10-Dichloro-6-(2,4-dimethylphenoxy)dibenzo[<i>d</i>,<i>g</i>][1,3,6,2]dioxathiaphosphocine 6-Sulfide","Acta Crystallographica Section C","1996","52","9","2298","2301","10.1107/S0108270196004908","","","0.71069","MoKα","","0.0387","0.0359","","0.085","0.083","","","","1.095","1.097","1.097","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005347","8.407","0.002","9.181","0.002","10.95","0.003","69.03","0.01","68.57","0.02","77.71","0.01","731.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N,N',N'-Tetramethylethylenediammonium Dihydrogendiphosphate Dihydrate","","- C6 H24 N2 O9 P2 -","- C6 H24 N2 O9 P2 -","- C12 H48 N4 O18 P4 -","2","1","DU1151","Gharbi, A.; Charfi, M.; Jouini, A.","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediammonium Dihydrogendiphosphate Dihydrate","Acta Crystallographica Section C","1996","52","9","2246","2248","10.1107/S0108270196003356","","","0.71069","MoKα","","0.033","0.0277","","0.0786","0.0754","","","","1.051","1.074","1.074","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005348","8.243","0.002","9.079","0.001","12.039","0.001","92.93","0.01","93.31","0.01","104.466","0.008","869","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(1,4-butanediyldiammonium) bis(cyclotriphosphate) tetrahydrate ?","","- C12 H50 N6 O22 P6 -","- C12 H50 N6 O22 P6 -","- C12 H50 N6 O22 P6 -","1","0.5","DU1152","Thabet, H.; Jouini, A.","Tris(1,4-butanediyldiammonium) Bis(cyclotriphosphate) Tetrahydrate","Acta Crystallographica Section C","1996","52","9","2248","2250","10.1107/S0108270196002922","","","0.71069","MoKα","","0.0297","0.0263","","0.0766","0.0745","","","","1.076","1.1","1.1","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005349","11.085","0.003","11.678","0.004","8.995","0.004","112.98","0.03","87.85","0.03","104.9","0.02","1033.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,6-Diammoniumhexane cyclohexaphosphate hexahydrate","","- C18 H66 N6 O24 P6 -","- C18 H66 N6 O24 P6 -","- C18 H66 N6 O24 P6 -","1","0.5","DU1153","Charfi, M.; Jouini, A.","1,6-Hexanediammonium <i>cyclo</i>-Hexaphosphate Hexahydrate","Acta Crystallographica Section C","1996","52","9","2250","2253","10.1107/S0108270196003344","","","0.71069","MoKα","","0.0432","0.0282","","0.0954","0.0709","","","","0.955","0.778","0.778","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005350","29.282","0.006","12.478","0.002","14.476","0.003","90","","107.43","0.03","90","","5046.4","1.9","198","2","198","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[{di-μ-nitrato-1:2κ^4^O-bis[(triphenylphosphine-P)copper(I)]}- μ-4,4'-bipyridyl-μ] Tetrahydrofuran Solvate","","- C27 H27 Cu N2 O4 P -","- C27 H27 Cu N2 O4 P -","- C216 H216 Cu8 N16 O32 P8 -","8","1","FG1111","Prest, P.-J.; Moore, J. S.","<i>catena</i>-Poly[{di-μ-nitrato-1:2κ^4^<i>O</i>-bis[(triphenylphosphine-<i>P</i>)copper(I)]}-μ-4,4'-bipyridyl-<i>N</i>:<i>N</i>'] Tetrahydrofuran Solvate","Acta Crystallographica Section C","1996","52","9","2176","2178","10.1107/S0108270196006087","","","0.71073","MoKα","","0.0662","0.0379","","0.1042","0.0907","","","","1.069","1.073","1.073","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005351","13.314","0.008","9.983","0.005","13.45","0.007","90","","117.63","0.02","90","","1583.8","1.5","158","2","158","2","","","","","","","","8","P 1 21 1","P 2yb","4","","2[1-(R)-(N,N-dimethylamino)-ethyl],2'[1-(R)(N,N-dimethylammonium)-ethyl] -1,1'(S,S)biferrocene trichloro(dimethylsulfoxide)platinate(II). ?","","- C30 H43 Cl3 Fe2 N2 O Pt S -","- C30 H43 Cl3 Fe2 N2 O Pt S -","- C60 H86 Cl6 Fe4 N4 O2 Pt2 S2 -","2","1","FG1112","Robinson, B. H.; Simpson, J.; Wilson, D. J.","1-(<i>R</i>)-{2-[1-(<i>R</i>)-(<i>N</i>,<i>N</i>-Dimethylamino)ethyl]-1,1'-(<i>S</i>,<i>S</i>)-biferrocen-2'-yl}ethyl-<i>N</i>,<i>N</i>-dimethylammonium Trichloro(dimethyl sulfoxide-<i>S</i>)platinate(II)","Acta Crystallographica Section C","1996","52","9","2196","2198","10.1107/S0108270196004118","","","0.71073","MoKα","","0.0621","0.0489","","0.1097","0.106","","","","0.941","1.024","1.024","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2005352","9.9019","0.0014","12.2972","0.0015","8.9716","0.0012","108.28","0.02","110.66","0.02","86.16","0.02","969.4","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","[1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)3-oxa- 2,4-diolatopentane][N,N,N,N-tetramethylethylenediamine]copper(II)","","- C12 H16 Cu F12 N2 O3 -","- C12 H16 Cu F12 N2 O3 -","- C24 H32 Cu2 F24 N4 O6 -","2","2","FG1118","Hynes, R. C.; Willis, C. J.; Payne, N. C.","A Condensed Dialkoxide Complex of Copper(II), [(CH~3~)~2~NCH~2~CH~2~N(CH~3~)~2~]Cu[{OC(CF~3~)~2~}~2~O]","Acta Crystallographica Section C","1996","52","9","2173","2176","10.1107/S0108270196005811","","","0.71073","MoKα","","0.0552","0.0401","","0.1022","0.0936","","","","1.035","1.03","1.03","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005353","7.275","0.001","9.002","0.002","19.503","0.004","90","","100.61","0.01","90","","1255.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ALENDRONATE","Monosodium 4-amino-1-hydroxy-1,1'-bisphosphonate, trihydrate (Alendronate)","","- C4 H18 N Na O10 P2 -","- C4 H18 N Na O10 P2 -","- C16 H72 N4 Na4 O40 P8 -","4","1","FG1158","Vega, D.; Baggio, R.; Garland, M. T.","Monosodium 4-Amino-1-hydroxy-1,1-butanediyldiphosphonate Trihydrate (Alendronate)","Acta Crystallographica Section C","1996","52","9","2198","2201","10.1107/S0108270196006105","","","0.71073","MoKα","","0.0316","0.0284","","0.0828","0.0744","","","","1.114","1.134","1.134","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005354","20.154","0.005","3.843","0.001","11.787","0.003","90","","90","","90","","912.9","0.4","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","2-Carboxy-4,5-benzotropone","2-Carboxy-4,5-benzocycloheptatrienone","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","FG1171","Thompson, H. W.; Lalancette, R. A.; Coté, M. L.","2-Carboxy- and 2,7-Dicarboxy-4,5-benzotropone: Hydrogen-Bonding Patterns of a β-Keto Acid and a Related β-Keto 1,5-Diacid","Acta Crystallographica Section C","1996","52","9","2372","2376","10.1107/S0108270196004933","","","0.71073","MoKα","","0.0647","0.0531","","0.1229","0.1185","","","","0.985","1.096","1.096","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005355","7.191","0.007","9.912","0.005","14.43","0.009","90","","95.53","0.05","90","","1023.7","1.3","296","1","296","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,7-Dicarboxy-4,5-benzotropone","2,7-Dicarboxy-4,5-benzocycloheptatrienone","","- C13 H8 O5 -","- C13 H8 O5 -","- C52 H32 O20 -","4","1","FG1171","Thompson, H. W.; Lalancette, R. A.; Coté, M. L.","2-Carboxy- and 2,7-Dicarboxy-4,5-benzotropone: Hydrogen-Bonding Patterns of a β-Keto Acid and a Related β-Keto 1,5-Diacid","Acta Crystallographica Section C","1996","52","9","2372","2376","10.1107/S0108270196004933","","","0.71073","MoKα","","0.0739","0.0544","","0.134","0.1252","","","","0.939","1.103","1.103","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005356","9.9062","0.001","9.838","0.001","24.061","0.003","90","","90","","90","","2344.9","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Cyclophosphamide","N,N-Bis(2-chloroethyl)-tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine-2-oxide","","- C7 H15 Cl2 N2 O2 P -","- C7 H15 Cl2 N2 O2 P -","- C56 H120 Cl16 N16 O16 P8 -","8","1","FG1178","Jones, P. G.; Thönnessen, H.; Fischer, A.; Neda, I.; Schmutzler, R.; Engel, J.; Kutscher, B.; Niemeyer, U.","The Anhydrous Racemate of the Carcinostatic Agent Cyclophosphamide and the Bicyclic Degradation Product 1-(2-Chloroethyl)tetrahydro-1<i>H</i>,5<i>H</i>-1,3,2-diazaphospholo[2,1-<i>b</i>][1,3,2]oxazaphosphorine 9-Oxide","Acta Crystallographica Section C","1996","52","9","2359","2363","10.1107/S0108270196004866","","","0.71073","MoKα","","0.0513","0.0351","","0.0901","0.0839","","","","0.971","1.069","1.069","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005357","10.58","0.002","10.021","0.002","10.779","0.002","90","","118.95","0.02","90","","1000","0.4","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(2-chloroethyl)tetrahydro-1H,5H- [1.3.2]diazaphospholo[2.1-b][1.3.2]oxazaphosphorine 9-oxide","","- C7 H14 Cl N2 O2 P -","- C7 H14 Cl N2 O2 P -","- C28 H56 Cl4 N8 O8 P4 -","4","1","FG1178","Jones, P. G.; Thönnessen, H.; Fischer, A.; Neda, I.; Schmutzler, R.; Engel, J.; Kutscher, B.; Niemeyer, U.","The Anhydrous Racemate of the Carcinostatic Agent Cyclophosphamide and the Bicyclic Degradation Product 1-(2-Chloroethyl)tetrahydro-1<i>H</i>,5<i>H</i>-1,3,2-diazaphospholo[2,1-<i>b</i>][1,3,2]oxazaphosphorine 9-Oxide","Acta Crystallographica Section C","1996","52","9","2359","2363","10.1107/S0108270196004866","","","0.71073","MoKα","","0.0293","0.0278","","0.0753","0.0732","","","","1.077","1.081","1.081","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005358","8.956","0.002","10.322","0.002","5.905","0.002","101.04","0.02","95.46","0.02","68.42","0.02","498","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","Acetone 4,4-Dimethyl-2-pyrazoline-5-one-3ylhydrazone","","- C8 H14 N4 O -","- C8 H14 N4 O -","- C16 H28 N8 O2 -","2","1","FG1180","Meyers, C. Y.; Lutfi, H. G.; Kolb, V. M.; Hou, Y.; Robinson, P. D.","Acetone 4,4-Dimethyl-5-oxo-2-pyrazolin-3-ylhydrazone","Acta Crystallographica Section C","1996","52","9","2367","2370","10.1107/S0108270196004428","","","0.71069","MoKα","","","0.045","","","0.052","","","","","1.93","1.93","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005359","12.298","0.001","15.685","0.002","27.851","0.004","90","","100.51","0.01","90","","5282.2","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorobis[1,2-bis-(diphenylphosphino)ethane]osmium(II) Hexafluorophosphate Dichoromethane Solvate","","- C53.5 H51 Cl4 F6 Os P5 -","- C53.5 H51 Cl4 F6 Os P5 -","- C214 H204 Cl16 F24 Os4 P20 -","4","1","FG1187","Lough, A. J.; Morris, R. H.; Schlaf, M.","Bis[1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']chloroosmium(II) Hexafluorophosphate Dichloromethane Solvate","Acta Crystallographica Section C","1996","52","9","2193","2196","10.1107/S0108270196006208","","","0.71073","MoKα","","0.0577","0.034","","0.0797","0.0697","","","","1.042","1.054","1.054","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:27",""
"2005360","14.153","0.006","14.054","0.004","17.959","0.004","90","","102.9","0.02","90","","3482","2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Racemic 1,1'-o-Xylylene-bis[3,5-dimethyl-hexahydro- s-triazine-2,4(1H,3H)-dione-6-spiro-9''-fluorene]","","- C42 H36 N6 O4 -","- C42 H36 N6 O4 -","- C168 H144 N24 O16 -","4","1","FG1188","Robinson, P. D.; Gong, Y.; Bausch, M. J.","Racemic α,α'-<i>o</i>-Xylylene-1,1'-bis[(3,5-dimethyl-5,6-dihydro-1,3,5-triazine-6-spiro-9'-fluorene)-2,4(1<i>H</i>,3<i>H</i>)-dione]","Acta Crystallographica Section C","1996","52","9","2337","2340","10.1107/S010827019600621X","","","0.71069","MoKα","","","0.063","","","0.056","","","","","1.57","1.57","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005361","9.969","0.002","15.883","0.001","19.369","0.002","90","","95.2","0.01","90","","3054.2","0.7","294","","294","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 O -","- C42 H30 O -","- C168 H120 O4 -","4","1","FG1189","Fu, T. Y.; Olovsson, G.; Scheffer, J. R.; Trotter, J.","9,10,12,14-Tetrahydro-12,12,14,14-tetraphenyl-9,10[3',4']-furanoanthracene","Acta Crystallographica Section C","1996","52","9","2347","2349","10.1107/S0108270196006245","","","1.5418","CuKα","","","0.039","","","0.035","","","","","1.85","1.85","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005362","11.798","0.003","10.259","0.003","13.326","0.004","90","","92.38","0.07","90","","1611.5","0.8","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7.5 H22.5 Cl0.5 Mo2 O9.5 -","- C7.51 H22.53 Cl0.49 Mo2 O9.51 -","- C30.04 H90.12 Cl1.96 Mo8 O38.04 -","4","1","FG1191","Clegg, W.; Elsegood, M. R. J.; Errington, R. J.; Bakri, R.","A 3:1 Disordered Solid Solution of Di-μ-methoxo-<i>O</i>:<i>O</i>-bis[trimethoxooxomolybdenum(VI)] and Di-μ-methoxo-<i>O</i>:<i>O</i>-bis[chlorodimethoxooxomolybdenum(VI)]","Acta Crystallographica Section C","1996","52","9","2145","2148","10.1107/S0108270196006257","","","0.71073","MoKα","","0.0394","0.0303","","0.0783","0.071","","","","1.122","1.125","1.125","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005363","9.743","0.002","11.574","0.002","12.184","0.002","79.89","0.02","69.17","0.02","81.32","0.02","1258.3","0.4","276","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 Cl Ni P S -","- C34 H19 Cl Ni P S -","- C68 H38 Cl2 Ni2 P2 S2 -","2","1","HA1150","Darkwa, J.; Milius, W.","(4-Chlorobenzenethiolato-<i>S</i>)(η^5^-cyclopentadienyl)(triphenylphosphine-<i>P</i>)nickel(II)","Acta Crystallographica Section C","1996","52","9","2159","2161","10.1107/S0108270196005896","","","0.71073","MoKα","","","0.0696","","","0.037","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005364","9.013","0.003","7.055","0.004","18.118","0.002","90","","98.51","0.02","90","","1139.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-saccharinperethanoic acid monohydrate","3-oxo-1,2-benzisothiazole-2(3H)-perethanoic acid monohydrate","","- C9 H9 N O7 S -","- C9 H6 N O7 S -","- C36 H24 N4 O28 S4 -","4","1","HA1157","Feeder, N.; Jones, W.","<i>N</i>-Saccharinperacetic Acid Monohydrate and <i>N</i>-Saccharinpentanoic Acid Monohydrate","Acta Crystallographica Section C","1996","52","9","2323","2326","10.1107/S0108270196003769","","","0.71069","MoKα","","0.0634","0.0466","","0.134","0.1222","","","","1.046","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005365","8.412","0.003","9.19","0.003","10.88","0.006","66.74","0.03","88.86","0.03","64.67","0.03","687.1","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","5-saccharinpentanoic acid monohydrate","3-oxo-1,2-benzisothiazole-2(3H)-pentanoic acid 1,1-dioxide monohydrate","","- C12 H15 N O6 S -","- C12 H12 N O6 S -","- C24 H24 N2 O12 S2 -","2","1","HA1157","Feeder, N.; Jones, W.","<i>N</i>-Saccharinperacetic Acid Monohydrate and <i>N</i>-Saccharinpentanoic Acid Monohydrate","Acta Crystallographica Section C","1996","52","9","2323","2326","10.1107/S0108270196003769","","","0.71073","MoKα","","0.0627","0.0455","","0.1473","0.1344","","","","1.121","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005366","8.248","0.003","9.593","0.003","10.943","0.003","90","","99.48","0.01","90","","854","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,3S)-3-benzamido-3-methoxycarbonylbicyclo[2.2.2]octane-2-carboxylic acid","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","HA1159","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A New Conformationally Restricted Aspartic Acid Analogue with a Bicyclo[2.2.2]octane Skeleton","Acta Crystallographica Section C","1996","52","9","2292","2294","10.1107/S0108270196004696","","","0.71073","MoKα","","0.0623","0.044","","0.1134","0.1019","","","","1.062","1.084","1.084","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005367","20.345","0.003","10.316","0.002","6.482","0.001","90","","90","","90","","1360.4","0.4","295.2","","295.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 Br2 N O2 -","- C11.5 H13.5 Br2 N0.5 O2 -","- C46 H54 Br8 N2 O8 -","4","0.5","HA1163","Beddoes, R. L.; Zhao, Y.; Joule, J. A.","3a,7a-Dibromo-2-butyl-4,7-methano-1,3,3a,4,7,7a-hexahydro-2<i>H</i>-isoindole-1,3-dione from the Reaction of 3,4-Dibromo-1-butylmaleimide with Cyclopentadiene","Acta Crystallographica Section C","1996","52","9","2313","2315","10.1107/S0108270196007950","","","0.7107","MoKα","","0.1223","0.0371","","0.0313","0.0245","","","","1.271","1.477","1.477","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005368","11.378","0.002","7.124","0.001","11.585","0.002","90","","101.7","0.8","90","","920","3","293","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 Co N2 O3 -","- C20 H25 Co N2 O3 -","- C40 H50 Co2 N4 O6 -","2","1","HU1052","Chen, H.; Han, D.; Yan, H.; Tang, W.; Yang, Y.; Yang, W.","Aqua[bis(salicylidene)ethylenediaminato](isobutyl)cobalt(III)","Acta Crystallographica Section C","1996","52","9","2204","2206","10.1107/S0108270196009134","","","0.71073","MoKα","","","0.053","","","0.067","","","","","1.24","1.24","","","","","has coordinates","205898","2020-10-21","18:00:00",""
"2005369","10.6713","0.0007","6.6936","0.0006","21.0352","0.0007","90","","100.776","0.004","90","","1476.04","0.17","153","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Isopropylamidine hydrochloride","Isopropylamidine hydrochloride","","- C4 H11 Cl N2 -","- C4 H11 Cl N2 -","- C32 H88 Cl8 N16 -","8","2","HU1140","Barker, J.; Powell, H. R.","Isopropylamidinium Chloride","Acta Crystallographica Section C","1996","52","9","2307","2309","10.1107/S0108270196002843","","","1.5418","CopperKα","","","0.0368","","","0.0443","","","","","4.976","4.976","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005370","6.806","0.001","8.166","0.001","15.568","0.002","100.69","0.01","94.99","0.02","103.29","0.01","819.8","0.2","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N O4 -","- C16 H25 N O4 -","- C32 H50 N2 O8 -","2","1","JZ1117","Beck, H.; Egert, E.","A Dihydrooxazinone","Acta Crystallographica Section C","1996","52","9","2253","2254","10.1107/S0108270196003873","","","0.71073","MoKα","","","0.067","","","0.057","","","","","1.58","1.58","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005371","13.734","0.002","8.281","0.001","6.53","0.001","90","","90","","90","","742.67","0.18","293","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C36 H48 O6 -","2","0.5","JZ1118","Schormann, N.; Egert, E.","A Fully Cyclo-Substituted Cyclohexane","Acta Crystallographica Section C","1996","52","9","2254","2256","10.1107/S0108270196003885","","","0.71073","MoKα","","","0.049","","","0.056","","","","","1.21","1.21","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005372","13.651","0.001","23.91","0.003","27.883","0.002","90","","102.44","0.01","90","","8887.2","1.5","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 Co2 Mo2 O22 P6 -","- C26 H46 Co2 Mo2 O22 P6 -","- C208 H368 Co16 Mo16 O176 P48 -","8","2","JZ1119","Herbst-Irmer, R.; Egert, E.","An Mo~2~(CO)~4~ (Mo[tripleMo) Fragment Stabilized by a Tripod Ligand","Acta Crystallographica Section C","1996","52","9","2161","2164","10.1107/S0108270196004076","","","0.71073","MoKα","","","0.042","","","0.049","","","","","2.08","2.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005373","7.577","0.001","22.058","0.003","15.098","0.002","90","","90","","90","","2523.4","0.6","293","1","293","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","trans-dichlorotetra(pyridine)molybdenum(III) tribromide","","- C20 H20 Br3 Cl2 Mo N4 -","- C20 H20 Br3 Cl2 Mo N4 -","- C80 H80 Br12 Cl8 Mo4 N16 -","4","0.5","JZ1125","Rotar, R.; Leban, I.; Brenčič, J. V.","<i>trans</i>-Dichlorotetrakis(pyridine-<i>N</i>)molybdenum(III) Tribromide","Acta Crystallographica Section C","1996","52","9","2155","2157","10.1107/S0108270196005628","","","0.71073","MoKα","","0.119","0.0525","","0.1327","0.1052","","","","1.024","1.117","1.117","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005374","6.283","0.001","22.113","0.002","9.691","0.002","90","","91.1","0.01","90","","1346.2","0.4","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","E-2,2,5,5-Tetramethyl-3,4-di[4-(tribromomethyl)phenyl]hex-3-ene","","- C24 H26 Br6 -","- C30 H44 Br6 -","- C60 H88 Br12 -","2","0.5","KA1154","Gano, J. E.; Kirschbaum, K.; Sekher, P.","(<i>E</i>)-2,2,5,5-Tetramethyl-3,4-bis[4-(tribromomethyl)phenyl]hex-3-ene","Acta Crystallographica Section C","1996","52","9","2334","2337","10.1107/S0108270196001576","","","0.71073","Mo-Kα","","0.181","0.056","","","0.061","","","","","1.732","1.732","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005375","6.419","0.001","13.34","0.002","24.701","0.002","90","","90","","90","","2115.1","0.5","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(6-Methoxy-7-methyl-1,2,3,4-tetrahydro-naphthalene-1-yl)ethyl 4,7,7-trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-1-carboxylate","","- C24 H32 O5 -","- C24 H32 O5 -","- C96 H128 O20 -","4","1","KA1161","Noltemeyer, M.; Raschke, T.; Tietze, L. F.","2-(6-Methoxy-7-methyl-1,2,3,4-tetrahydro-1-naphthyl)ethyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate","Acta Crystallographica Section C","1996","52","9","2256","2258","10.1107/S0108270196004167","","","0.71073","MoKα","","0.0356","0.032","","0.0818","0.0776","","","","1.066","1.066","1.066","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005376","17.172","0.004","17.172","0.004","14.965","0.009","90","","90","","120","","3822","3","293","2","293","2","","","","","","","","3","P 61","P 61","169","Diester of 16α-hydroxy-prednisolone","21-Acetoxy-16α-propionoxy-11β,17α-dihydroxypregna-1,4-diene-3,20-dione monohydrate","","- C26 H36 O9 -","- C26 H36 O9 -","- C156 H216 O54 -","6","1","KA1173","Pniewska, B.; Anulewicz, R.; Uszycka-Horawa, T.","21-Acetoxy-16α-propionoxy-11β,17α-dihydroxypregna-1,4-diene-3,20-dione Monohydrate","Acta Crystallographica Section C","1996","52","9","2288","2290","10.1107/S0108270196002533","","","1.54178","CuKα","","0.095","0.058","","0.1678","0.1477","","","","1.005","1.109","1.109","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005377","6.8302","0.0008","12.164","0.001","23.846","0.004","90","","90","","90","","1981.2","0.4","295","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","KA1177","Steiner, Th.","17α-Ethynyl-19-nor-3-oxo-4-androsten-17β-yl Acetate (Norethindrone Acetate)","Acta Crystallographica Section C","1996","52","9","2261","2263","10.1107/S0108270196002417","","","1.54184","CuKα","","","0.059","","","0.156","","","","","1.09","1.09","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005378","8.55","0.001","12.189","0.001","20.979","0.002","90","","90","","90","","2186.3","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","16β-fluoro-17aβ-(4-nitroanilino)-3-methoxy-D-homoestra-1,3,5(10)-triene","","- C26 H31 F N2 O3 -","- C26 H31 F N2 O3 -","- C104 H124 F4 N8 O12 -","4","1","KA1183","Noltemeyer, M.; Tietze, L. F.; Wölfling, J.; Frank, É.; Schneider, G.","A Fluorinated <small>D</small>-Homoestrone Derivative","Acta Crystallographica Section C","1996","52","9","2258","2259","10.1107/S0108270196003897","","","0.71073","MoKα","","0.0591","0.0459","","0.1065","0.0967","","","","1.073","1.074","1.074","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005379","14.868","0.005","11.953","0.002","20.403","0.006","90","","90","","90","","3626","1.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","Triphenylpropargylphosphonium bromide","","- C21 H18 Br P -","- C21 H18 Br P -","- C168 H144 Br8 P8 -","8","2","KA1184","Steiner, Th.","Triphenylpropargylphosphonium Bromide","Acta Crystallographica Section C","1996","52","9","2263","2266","10.1107/S0108270196004490","","","1.54176","CuKα","","0.0405","0.0295","","0.0827","0.068","","","","1.045","1.1","1.1","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005380","16.233","0.002","17.313","0.002","13.3","0.001","90","","90","","90","","3737.9","0.7","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4-Hydroxy-3-diethylphosphono-5-tert-butyl-phenyl)-bis-(diphenylphosphinyl)- methane","","- C39 H45 O7 P3 -","- C39 H45 O7 P3 -","- C156 H180 O28 P12 -","4","1","KA1188","Ramm, M.; Costisella, B.","Diethyl 5-Bis(diphenylphosphinoyl)methyl-2-hydroxy-3-<i>tert</i>-butylphenylphosphonate Hydrate at 173K","Acta Crystallographica Section C","1996","52","9","2305","2307","10.1107/S0108270196003903","","","1.54178","CuKα","","","0.044","","","0.059","","","","","2.274","2.274","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005381","4.8701","0.0002","11.046","0.001","23.877","0.004","90","","90","","90","","1284.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Gly-His hydrochloride dihydrate","Glycyl-L-histidinium Chloride dihydrate","","- C8 H17 Cl N4 O5 -","- C8 H17 Cl N4 O5 -","- C32 H68 Cl4 N16 O20 -","4","1","KA1193","Steiner, Th.","Glycyl-<small>L</small>-histidinium Chloride Dihydrate: an Unusual Histidine Conformation","Acta Crystallographica Section C","1996","52","9","2266","2269","10.1107/S0108270196004556","","","1.54176","CuKα","","0.0445","0.0383","","0.1357","0.0966","","","","1.095","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005382","9.1259","0.0008","21.802","0.001","9.0555","0.0009","90","","102.85","0.008","90","","1756.6","0.3","293","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","KH1085","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Coumarin 338","Acta Crystallographica Section C","1996","52","9","2363","2365","10.1107/S0108270196004362","","","1.54184","CuKα","","","0.052","","","0.087","","","","","2.3","2.3","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:27",""
"2005383","9.552","0.004","9.552","0.004","36.413","0.009","90","","90","","90","","3322","2","293","2","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C15 H23 N4 O6.5 -","- C15 H21 N4 O6.5 -","- C120 H168 N32 O52 -","8","1","KH1092","Hirayama, N.; Arai, H.; Kasai, M.","Structural Studies of Mitomycins. VIII. Mitomycin D Hydrate, C~15~H~18~N~4~O~5~.1.5H~2~O","Acta Crystallographica Section C","1996","52","9","2365","2367","10.1107/S0108270196004350","","","1.54184","CuKα","","","0.055","","","0.067","","","","","2.33","2.33","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2005384","8.707","0.001","12.106","0.002","14.704","0.004","92.03","0.01","91.55","0.01","96.86","0.01","1537.1","0.5","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","2","LI1143","Zukerman-Schpector, J.; Caracelli, I.; Silva, Jnr, F.; Brocksom, T. J.","Structures of the Diels–Alder Reaction Products of Thymoquinone and 1-Vinylcyclohexene. III. 5-Isopropyl-2-methyltricyclo[8.4.0.0^2,7^]tetradeca-4,9-diene-3,6-dione, C~18~H~24~O~2~","Acta Crystallographica Section C","1996","52","9","2354","2356","10.1107/S0108270196004210","","","0.71073","MoKα","","0.2065","0.0609","","0.1919","0.1273","","","","1.026","1.158","1.158","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005385","15.2841","0.0011","8.3869","0.0013","28.3216","0.0009","90","","102.104","0.014","90","","3549.7","0.6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis[5,5-di(4'-methoxyphenyl)-3,3-dimethyl-2-tetrahydrofuranyl] ether.","","- C40 H46 O7 -","- C40 H46 O7 -","- C160 H184 O28 -","4","1","LI1146","Barnes, J. C.; Horspool, W. M.; Hynd, G.; Armesto, D.; Ramos, A.","Bis[5,5-bis(4-methoxyphenyl)-3,3-dimethyl-2-tetrahydrofuranyl] Ether","Acta Crystallographica Section C","1996","52","9","2296","2298","10.1107/S0108270196004088","","","0.71069","MoKα","","0.0785","0.0449","","0.1066","0.0967","","","","0.822","1.047","1.047","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005386","15.89","0.002","12.264","0.002","9.147","0.002","90","","93.9","0.02","90","","1778.4","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2(2-hydroxy-5,5-dimethylcyclohexan-1,3-dione)-5,5-dimethylcyclo- hexan-1,3-dionato caesium monohydrate","","- C16 H23 Cs O6 -","- C16 H22 Cs O6 -","- C64 H88 Cs4 O24 -","4","1","LI1149","Barnes, J. C.","Caesium 2-(2-Hydroxy-5,5-dimethyl-1,3-dioxo-2-cyclohexyl)-5,5-dimethyl-1,3-cyclohexanedionato(1‒) Monohydrate","Acta Crystallographica Section C","1996","52","9","2185","2188","10.1107/S0108270196007342","","","0.71069","MoKα","","0.0537","0.0505","","0.1303","0.1284","","","","1.071","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005387","9.092","0.001","9.849","0.001","10.428","0.001","68.9","0.01","69.39","0.01","72.67","0.01","799.62","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-methyl-2-(4-methylphenyl)-8-trifluoromethylimidazo[1,2-a][1,8] naphthyridine.","","- C19 H14 F3 N3 -","- C19 H14 F3 N3 -","- C38 H28 F6 N6 -","2","1","MU1237","Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~","Acta Crystallographica Section C","1996","52","9","2231","2236","10.1107/S010827019600371X","","","0.71073","MoKα","","0.0628","0.0457","","0.1446","0.1352","","","","1.045","1.177","1.177","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005388","7.916","0.007","8.454","0.006","12.838","0.009","73.64","0.02","87.62","0.06","70.08","0.07","773.6","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(3,4-difluorophenyl)-6-methyl-8-trifluoromethylimidazo[1,2-a][1,8] naphthyridine.","","- C18 H10 F5 N3 -","- C18 H10 F5 N3 -","- C36 H20 F10 N6 -","2","1","MU1237","Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~","Acta Crystallographica Section C","1996","52","9","2231","2236","10.1107/S010827019600371X","","","0.71073","MoKα","","0.1197","0.1027","","0.3248","0.305","","","","1.077","1.207","1.207","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005389","8.422","0.002","9.042","0.001","12.859","0.003","70.43","0.02","89.09","0.02","62.25","0.01","804.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-chlorophenyl)-6-methyl-8-trifluoromethylimidazo[1,2-a][1,8] naphthyridine.","","- C18 H11 Cl F3 N3 -","- C18 H11 Cl F3 N3 -","- C36 H22 Cl2 F6 N6 -","2","1","MU1237","Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~","Acta Crystallographica Section C","1996","52","9","2231","2236","10.1107/S010827019600371X","","","0.71073","MoKα","","0.0546","0.0416","","0.1191","0.1134","","","","1.019","1.133","1.133","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005390","8.557","0.001","8.954","0.001","12.957","0.001","70.12","0.01","72.27","0.01","63.19","0.01","819.62","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-bromophenyl)-6-methyl-8-trifluoromethylimidazo[1,2,-a][1,8] naphthyridine.","","- C18 H11 Br F3 N3 -","- C18 H11 Br F2.97 N3 -","- C36 H22 Br2 F5.94 N6 -","2","1","MU1237","Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~","Acta Crystallographica Section C","1996","52","9","2231","2236","10.1107/S010827019600371X","","","0.71073","MoKα","","0.0905","0.0523","","0.1444","0.1331","","","","0.927","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005391","8.041","0.001","13.567","0.001","15.03","0.001","93.52","0.001","97.32","0.001","105.93","0.01","1555.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6,8-dimethyl-2-(4-methoxyphenyl)imidazo[1,2-a]1,8-naphthyridine.","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","2","MU1239","Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. II. C~19~H~17~N~3~O and C~24~H~19~N~3~O","Acta Crystallographica Section C","1996","52","9","2236","2239","10.1107/S0108270196003708","","","0.71073","MoKα","","0.1116","0.0589","","0.1807","0.1521","","","","0.894","1.091","1.091","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005392","8.435","0.001","7.146","0.001","31.823","0.003","90","","92","0.01","90","","1917","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-methoxyphenyl)-6-methyl-8-phenylimidazo[1,2-a][1,8]naphthyridine.","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","MU1239","Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. II. C~19~H~17~N~3~O and C~24~H~19~N~3~O","Acta Crystallographica Section C","1996","52","9","2236","2239","10.1107/S0108270196003708","","","0.71073","MoKα","","0.0957","0.0482","","0.1433","0.117","","","","0.899","1.063","1.063","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005393","9.387","0.001","10.173","0.002","11.698","0.0001","110.36","0.01","91.83","0.01","103.34","0.01","1011.3","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-diethylaminomethyl-6,8-dimethyl-2-(4-methylphenyl)imidazo[1,2-a][1,8] naphthyridine.","","- C24 H28 N4 -","- C24 H28 N4 -","- C48 H56 N8 -","2","1","MU1241","Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~","Acta Crystallographica Section C","1996","52","9","2239","2243","10.1107/S0108270196003745","","","0.71073","MoKα","","0.0591","0.0503","","0.1604","0.1526","","","","1.096","1.168","1.168","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005394","7.358","0.001","10.641","0.001","13.586","0.001","96.55","0.01","95.64","0.01","98.11","0.01","1039.13","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-diethylaminomethyl-6,8-dimethyl-2-(4-methoxyphenyl)imidazo[1,2-a][1,8] naphthyridine.","","- C24 H28 N4 O -","- C24 H28 N4 O -","- C48 H56 N8 O2 -","2","1","MU1241","Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~","Acta Crystallographica Section C","1996","52","9","2239","2243","10.1107/S0108270196003745","","","0.71073","MoKα","","0.0507","0.0383","","0.105","0.1001","","","","0.976","1.09","1.09","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005395","12.134","0.001","12.833","0.002","15.25","0.002","113.98","0.01","91.33","0.01","105.68","0.01","2064.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(4-bromophenyl)-1-diethylaminomethyl-6,8-dimethylimidazo[1,2-a][1,8] naphthyridine.","","- C23 H25 Br N4 -","- C23 H25 Br N4 -","- C92 H100 Br4 N16 -","4","2","MU1241","Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.","Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~","Acta Crystallographica Section C","1996","52","9","2239","2243","10.1107/S0108270196003745","","","0.71073","MoKα","","0.1118","0.058","","0.1829","0.1468","","","","1.029","1.177","1.177","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005396","4.495","0.004","19.982","0.012","7.822","0.004","90","","105.47","0.06","90","","677.1","0.8","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ammonium phosphoglycolate","","- C2 H8 N O6 P -","- C2 H8 N O6 P -","- C8 H32 N4 O24 P4 -","4","1","MU1249","Lis, T.","Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K","Acta Crystallographica Section C","1996","52","9","2326","2332","10.1107/S0108270196002624","","","0.71073","MoKα","","0.0404","0.0274","","0.0821","0.0776","","","","1.097","1.15","1.15","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005397","17.732","0.006","9.626","0.004","16.628","0.006","90","","93.18","0.03","90","","2833.8","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","triammonium bis(phosphoglycolate)","","- C4 H19 N3 O12 P2 -","- C4 H19 N3 O12 P2 -","- C32 H152 N24 O96 P16 -","8","1","MU1249","Lis, T.","Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K","Acta Crystallographica Section C","1996","52","9","2326","2332","10.1107/S0108270196002624","","","0.71073","MoKα","","0.0606","0.0297","","0.0922","0.0807","","","","1.018","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005398","13.202","0.005","8.072","0.003","13.792","0.005","90","","91.12","0.03","90","","1469.5","0.9","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diammonium phosphoglycolate","","- C2 H11 N2 O6 P -","- C2 H11 N2 O6 P -","- C16 H88 N16 O48 P8 -","8","2","MU1249","Lis, T.","Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K","Acta Crystallographica Section C","1996","52","9","2326","2332","10.1107/S0108270196002624","","","0.71073","MoKα","","0.0433","0.0309","","0.0879","0.0814","","","","1.069","1.103","1.103","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005399","7.318","0.004","14.086","0.005","9.657","0.004","90","","93.37","0.04","90","","993.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","triammonium phosphoglycolate hydrate","","- C2 H16 N3 O7 P -","- C2 H16 N3 O7 P -","- C8 H64 N12 O28 P4 -","4","1","MU1249","Lis, T.","Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K","Acta Crystallographica Section C","1996","52","9","2326","2332","10.1107/S0108270196002624","","","0.71073","MoKα","","0.0773","0.0335","","0.0971","0.0843","","","","1.004","1.1","1.1","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005400","6.362","0.003","7.512","0.003","17.258","0.008","94.55","0.04","96.81","0.05","104.59","0.04","787.4","0.6","295","","295","","","","","","","","","6","P -1","-P 1","2","","Bis(para-aminobenzoic acid)dichloro cadmium","","- C14 H14 Cd Cl2 N2 O4 -","- C14 H14 Cd Cl2 N2 O4 -","- C28 H28 Cd2 Cl4 N4 O8 -","2","1","MU1252","Le Fur, Y.; Masse, R.","Bis(<i>p</i>-aminobenzoic acid-<i>N</i>)dichlorocadmium(II)","Acta Crystallographica Section C","1996","52","9","2183","2185","10.1107/S0108270196003721","","","0.5608","AgKα","","0.025","0.025","","0.027","0.027","","","","0.81","0.81","0.81","","","","","has coordinates","190528","2020-10-21","18:00:00",""
"2005401","10.2145","0.0007","8.9516","0.0006","12.5214","0.0008","90","","96.77","0.006","90","","1136.93","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4-Dimethyl-Pyridinium bis(6,7-dihydro-5H-1,4-dithiepin-2,3-dithiolato) Cuprate (III)","","- C17 H22 Cu N S8 -","- C17 H22 Cu N S8 -","- C34 H44 Cu2 N2 S16 -","2","0.5","MU1254","Fun, H.-K.; Sivakumar, K.; Zuo, J.-L.; You, F.; You, X.-Z.","1,4-Dimethylpyridinium Bis(6,7-dihydro-5<i>H</i>-1,4-dithiepine-2,3-dithiolato-<i>S</i>,<i>S</i>')cuprate(III)","Acta Crystallographica Section C","1996","52","9","2153","2155","10.1107/S0108270196003757","","","0.71073","MoKα","","0.0591","0.0449","","0.1332","0.1255","","","","0.957","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005402","14.654","0.001","14.385","0.001","15.897","0.001","90","","90","","90","","3351.1","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tris(4-chlorophenyl)phosphine.","","- C18 H12 Cl3 P -","- C18 H12 Cl3 P -","- C144 H96 Cl24 P8 -","8","1","MU1256","bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K.","Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine","Acta Crystallographica Section C","1996","52","9","2243","2245","10.1107/S0108270196004337","","","0.71073","MoKα","","0.0784","0.0402","","0.1053","0.0931","","","","0.881","1.032","1.032","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005403","12.428","0.001","12.428","0.001","8.753","0.001","90","","90","","120","","1170.82","0.19","293","2","293","2","","","","","","","","4","P 31","P 31","144","","Tris(4-fluorophenyl)phosphine.","","- C18 H12 F3 P -","- C18 H12 F3 P -","- C54 H36 F9 P3 -","3","1","MU1256","bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K.","Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine","Acta Crystallographica Section C","1996","52","9","2243","2245","10.1107/S0108270196004337","","","0.71073","MoKα","","0.0607","0.0359","","0.0791","0.0723","","","","0.907","1.059","1.059","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005404","21.33","0.001","5.4002","0.0001","26.232","0.002","90","","112.447","0.009","90","","2792.6","0.3","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N2 O4 S2 -","- C31 H32 N2 O4 S2 -","- C124 H128 N8 O16 S8 -","4","1","NA1212","Feigel, M.; Strassner, Th.; Manero, J.; Weckert, E.","4,4'-Bis(2,4,6-trimethylbenzenesulfonamido)diphenylmethane","Acta Crystallographica Section C","1996","52","9","2303","2305","10.1107/S0108270196002016","","","1.5405","CuKα","","","0.051","","","0.054","","","","","1.66","1.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005405","14.467","0.002","7.391","0.004","11.868","0.003","90","","90","","90","","1269","0.8","292","","292","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Methacryloylcholine iodide","","- C9 H18 I N O2 -","- C9 H18 I N O2 -","- C36 H72 I4 N4 O8 -","4","0.5","NA1215","Angelova, O.; Macícek, J.; Kossev, K.; Koseva, N.","Trimethyl[2-(2-methyl-2-propenoyloxy)ethyl]ammonium Iodide (Methacryloylcholine Iodide)","Acta Crystallographica Section C","1996","52","9","2216","2218","10.1107/S0108270196002855","","","0.71073","MoKα","","0.031","0.026","","0.059","0.041","","","","1.378","0.979","0.979","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005406","11.13","0.004","13.028","0.004","24.74","0.02","90","","90","","90","","3587","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 2,7,7-Trimethyl-4(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolyl- 3-carboxylate","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C160 H176 N16 O40 -","8","1","NA1225","Morales, A. D.; García-Granda, S.; Navarro, M. S.; Diviú, A. M.; Pérez-Barquero, R. E.","Methyl 2,7,7-Trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and 3-Acetyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone","Acta Crystallographica Section C","1996","52","9","2356","2359","10.1107/S0108270196004611","","","0.71073","MoKα","","0.1638","0.0502","","0.1492","0.1132","","","","1.037","1.167","1.167","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005407","11.046","0.005","12.7318","0.0008","12.944","0.005","90","","106.68","0.03","90","","1743.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Ethanoyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","NA1225","Morales, A. D.; García-Granda, S.; Navarro, M. S.; Diviú, A. M.; Pérez-Barquero, R. E.","Methyl 2,7,7-Trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and 3-Acetyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone","Acta Crystallographica Section C","1996","52","9","2356","2359","10.1107/S0108270196004611","","","0.71073","MoKα","","0.3249","0.0591","","0.1894","0.1172","","","","0.962","1.232","1.232","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005408","17.242","0.004","15.244","0.003","11.406","0.005","90","","90","","90","","2997.9","1.6","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","rac.-1,10-Dimethyl-1,10-bis-(tert.-butyldimethylsilyloxy)-cyclododeca- 2,8-diyne","","- C26 H48 O2 Si2 -","- C26 H48 O2 Si2 -","- C104 H192 O8 Si8 -","4","0.5","NA1231","Boss, C.; Keese, R.; Förtsch, M.","Racemic 3,6-Dimethyl-3,6-bis(<i>tert</i>-butyldimethylsilyloxy)-1,7-cyclododecadiyne","Acta Crystallographica Section C","1996","52","9","2370","2372","10.1107/S0108270196004891","","","0.71069","MoKα","","0.1019","0.0435","","0.1454","0.118","","","","1.091","1.206","1.206","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:27",""
"2005409","8.6202","0.0003","20.154","0.001","21.0425","0.0009","73.497","0.004","89.067","0.003","79.781","0.004","3447.3","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","cis-2-sec-Butyl-4-[4-(4-{4-[2-(2,4-dichlorophenyl)- 2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethoxy]phenyl}- piperazin-1-yl)phenyl]-2,4-dihydro-1,2,4-triazol-3-one","","- C35 H38 Cl2 N8 O4 -","- C39 H47 Cl2 N8 O4 -","- C156 H188 Cl8 N32 O16 -","4","2","NA1232","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","<i>cis</i>-2-<i>sec</i>-Butyl-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3<i>H</i>-1,2,4-triazol-3-one (Itraconazole)","Acta Crystallographica Section C","1996","52","9","2225","2229","10.1107/S0108270196004180","","","1.54184","CuKα","","0.1151","0.0594","","0.2","0.1461","","","","1.02","1.026","1.026","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005410","7.603","0.001","11.701","0.002","14.434","0.002","90","","101.17","0.01","90","","1259.8","0.3","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis[bis(2-pyridyl)sulphide]palladium(II) bis(tetrafluoroborate)","","- C20 H16 B2 F8 N4 Pd S2 -","- C20 H16 B2 F8 N4 Pd0.5 S2 -","- C40 H32 B4 F16 N8 Pd S4 -","2","0.5","NA1236","Nicolò, F.; Bruno, G.; Tresoldi, G.","Bis[bis(2-pyridyl-<i>N</i>) sulfide]palladium(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1996","52","9","2188","2191","10.1107/S010827019600604X","","","0.71073","MoKα","","0.0465","0.0272","","0.0359","0.0314","","","","","1.48","1.48","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2005411","8.366","0.002","11.066","0.002","14.562","0.002","90","","90","","90","","1348.1","0.4","292","","292","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Phenylglycinium hydrogen squarate monohydrate","","- C12 H13 N O7 -","- C12 H13 N O7 -","- C48 H52 N4 O28 -","4","1","NA1238","Angelova, O.; Petrova, R.; Radomirska, V.; Kolev, T.","Crystalline Complexes Involving Amino Acids. II. (<i>R</i>)-({-})-1-Phenylglycinium Hydrogen Squarate Monohydrate","Acta Crystallographica Section C","1996","52","9","2218","2220","10.1107/S0108270196006452","","","0.71073","MoKα","","0.08","0.045","","0.081","0.057","","","","1.557","1.112","1.112","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005412","8.925","0.004","23.48","0.012","8.049","0.003","90","","96.36","0.03","90","","1676.4","1.3","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","trans-1,4-dimethyl-7,7-diphenylbicyclo[4.1.0]hepta-2,5-dione","","- C21 H20 O2 -","- C21 H20 O2 -","- C84 H80 O8 -","4","1","OA1000","Moriwaki, H.; Kawamoto, T.; Oshima, T.","Half-Chair Conformation of <i>trans</i>-1,4-Dimethyl-7,7-diphenylbicyclo[4.1.0]hepta-2,5-dione","Acta Crystallographica Section C","1996","52","9","2269","2271","10.1107/S0108270196003435","","","0.71073","MoKα","","","0.0699","","","0.0709","","","","","0.81","0.81","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005413","18.056","0.003","15.446","0.002","15.452","0.002","103.159","0.005","112.994","0.005","99.352","0.005","3707.8","0.9","293","2","293","2","","","","","","","","3","P 1","P 1","1","β-Cyclodextrin-nonanoic acid complex","cyclomaltoheptaose-nonanoic acid complex","","- C98.4 H216.6 O97.1 -","- C98.4 H92 O97.08 -","- C98.4 H92 O97.08 -","1","1","PA1218","Rontoyianni, A.; Mavridis, I. M.","β-Cyclodextrin Nonanoic Acid 1:1 Complex","Acta Crystallographica Section C","1996","52","9","2277","2281","10.1107/S0108270196002156","","","0.71069","MoKαNb-filtered","","0.127","0.0783","","0.2939","0.2069","","","","1.094","0.978","0.978","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005414","11.358","0.004","16.352","0.006","12.999","0.005","90","","101.56","0.01","90","","2365.3","1.5","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dibutyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C23 H30 N2 O6 -","- C23 H30 N2 O6 -","- C92 H120 N8 O24 -","4","1","PA1223","Rowan, K. R.; Holt, E. M.","Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","9","2207","2212","10.1107/S0108270196003551","","","0.71073","MoKα","","0.1461","0.056","","0.1027","0.0612","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005415","9.715","0.001","10.932","0.001","12.501","0.001","99.29","0.01","97.27","0.01","116.35","0.01","1144.2","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","Di-isobutyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C23 H30 N2 O6 -","- C23 H30 N2 O6 -","- C46 H60 N4 O12 -","2","1","PA1223","Rowan, K. R.; Holt, E. M.","Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","9","2207","2212","10.1107/S0108270196003551","","","0.71073","MoKα","","0.0776","0.0574","","0.2092","0.1595","","","","1.047","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005416","11.142","0.001","16.803","0.002","13.384","0.001","90","","109.9","0.01","90","","2356.1","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Di-tertbutyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C23 H30 N2 O6 -","- C23 H30 N2 O6 -","- C92 H120 N8 O24 -","4","1","PA1223","Rowan, K. R.; Holt, E. M.","Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1996","52","9","2207","2212","10.1107/S0108270196003551","","","0.71073","MoKα","","0.1042","0.0542","","0.1535","0.1209","","","","1.035","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005417","6.778","0.001","10.451","0.001","11.618","0.001","91.34","0.01","98.88","0.01","97.51","0.01","805.35","0.16","298","","298","","","","","","","","","5","P -1","-P 1","2","","(E)-3-[2-(4-chlorophenylsulfonyl) Ethenyl]-6-chloro-4H-1-benzopyran-4-one","","- C17 H10 Cl2 O4 S -","- C17 H10 Cl2 O4 S -","- C34 H20 Cl4 O8 S2 -","2","1","PA1224","Raju, K. V. N.; Krishnaiah, M.; Chen, Y.-S.; Rao, S. N.; Holt, E. M.","(<i>E</i>)-6-Chloro-3-[2-(4-chlorophenylsulfonyl)ethenyl]-4-chromanone, (<i>E</i>)-6-Bromo-3-[2-(4-bromophenylsulfonyl)ethenyl]-4-chromanone and (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)ethenyl]-6-methoxy-4-chromanone","Acta Crystallographica Section C","1996","52","9","2212","2215","10.1107/S0108270196003563","","","0.71073","MoKα","","","0.0308","","","0.0429","","","","","1.14","1.14","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005418","6.761","0.001","10.719","0.001","11.744","0.001","91.2","0.01","99.1","0.01","97.71","0.01","832.02","0.17","298","","298","","","","","","","","","5","P -1","-P 1","2","","(E)-3-[2-(4-Bromophenylsulfonyl) ethenyl]-6-bromo-4H-1-benzopyran-4- one","","- C17 H10 Br2 O4 S -","- C17 H10 Br2 O4 S -","- C34 H20 Br4 O8 S2 -","2","1","PA1224","Raju, K. V. N.; Krishnaiah, M.; Chen, Y.-S.; Rao, S. N.; Holt, E. M.","(<i>E</i>)-6-Chloro-3-[2-(4-chlorophenylsulfonyl)ethenyl]-4-chromanone, (<i>E</i>)-6-Bromo-3-[2-(4-bromophenylsulfonyl)ethenyl]-4-chromanone and (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)ethenyl]-6-methoxy-4-chromanone","Acta Crystallographica Section C","1996","52","9","2212","2215","10.1107/S0108270196003563","","","0.71073","MoKα","","","0.043","","","0.0484","","","","","1.18","1.18","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005419","39.053","0.013","6.7","0.002","13.471","0.005","90","","106.62","0.03","90","","3378","2","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-3-[2-(4-chlorophenylsulfonyl) ethenyl]-6-methoxy-4H-1-benzopyran-4- one","","- C18 H13 Cl O5 S -","- C18 H13 Cl O5 S -","- C144 H104 Cl8 O40 S8 -","8","1","PA1224","Raju, K. V. N.; Krishnaiah, M.; Chen, Y.-S.; Rao, S. N.; Holt, E. M.","(<i>E</i>)-6-Chloro-3-[2-(4-chlorophenylsulfonyl)ethenyl]-4-chromanone, (<i>E</i>)-6-Bromo-3-[2-(4-bromophenylsulfonyl)ethenyl]-4-chromanone and (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)ethenyl]-6-methoxy-4-chromanone","Acta Crystallographica Section C","1996","52","9","2212","2215","10.1107/S0108270196003563","","","0.71073","MoKα","","","0.0687","","","0.1612","","","","","1.14","1.14","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005421","14.907","0.007","10.506","0.004","12.518","0.003","90","","104.07","0.03","90","","1901.7","1.3","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Br N3 S -","- C7 H8 Br N3 S -","- C56 H64 Br8 N24 S8 -","8","2","PT1014","Seth, S.; Biswas, A.; Banerjee, A.; Chattopadhyay, S. K.; Ghosh, S.","Biological Activity of 4-(4-Bromophenyl)thiosemicarbazide","Acta Crystallographica Section C","1996","52","9","2377","2379","10.1107/S0108270195011000","","","1.54182","CuKα","","","0.056","","","0.058","","","","","1.01","1.01","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005422","10.917","0.004","7.933","0.005","23.137","0.002","90","","99.93","0.01","90","","1973.8","1.5","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cl O3 -","- C25 H17 Cl O3 -","- C100 H68 Cl4 O12 -","4","1","PT1027","Murugesan, R.; Selladurai, S.; Subramaniam, K.; Velmurugan, D.; Hamilton, J. R.; Chen, Y.-S.; Schapiro, P. J.; Rao, S. N.","4-(4-Chlorophenyl)-2,6-diphenyl-(4<i>H</i>)-pyran-3,5-dicarbaldehyde","Acta Crystallographica Section C","1996","52","9","2318","2320","10.1107/S0108270196003204","","","1.54184","CuKα","","","0.064","","","0.065","","","","","1.265","1.265","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005423","9.553","0.009","19.2","0.03","18.607","0.018","90","","101.76","0.07","90","","3341","7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C168 H144 N16 O16 -","8","4","SK1003","Alcock, N. W.; Clase, H. J.; Willey, G. R.; Daly, L. T.","Packing of Four Independent Molecules: 1-Methyl-<i>N</i>,<i>N</i>'-bis(salicylidene)-2,4-phenylenediamine","Acta Crystallographica Section C","1996","52","9","2340","2343","10.1107/S0108270196002272","","","0.71073","MoKα","","0.2251","0.1058","","0.4","0.2846","","","","0.998","1.362","1.362","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2005424","7.671","0.001","20.414","0.002","8.326","0.002","90","","112.39","0.02","90","","1205.5","0.4","295","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H14 N6 -","- C10 H14 N6 -","- C40 H56 N24 -","4","1","SK1005","Küçükbay, H.; Çetinkaya, E.; Ülkü, D.; Tahir, M. N.","(1<i>E</i>,3<i>Z</i>,5<i>E</i>)-2,5-Diaza-1,6-bis(dimethylamino)-1,3,5-hexatriene-3,4-dicarbonitrile","Acta Crystallographica Section C","1996","52","9","2271","2272","10.1107/S0108270196004453","","","0.71073","MoKα","","","0.045","","","0.043","","","","","0.76","0.76","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005425","7.7989","0.0004","8.066","0.0011","7.8631","0.001","90","","116.336","0.013","90","","443.3","0.1","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","diisopropylammonium bromide","diisopropylammonium bromide","","- C6 H16 Br N -","- C6 H16 Br N -","- C12 H32 Br2 N2 -","2","1","SK1006","Kociok-Köhn, G.; Lungwitz, B.; Filippou, A. C.","Diisopropylammonium Bromide","Acta Crystallographica Section C","1996","52","9","2309","2311","10.1107/S010827019600354X","","","0.71073","MoKα","","0.0337","0.022","","0.0468","0.0436","","","","1.02","1.046","1.046","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005426","16.757","0.002","11.099","0.002","20.165","0.002","90","","110.73","0.01","90","","3507.6","0.9","211","2","211","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-(1,3,5-Tri-tert.-butyl-4-hydroxybenzyl)-1,3,5,tri-tert.-butyl-2-oxo- bicyclo[4.1.0]hept-3-en","","- C38 H62 O2 -","- C38 H62 O2 -","- C152 H248 O8 -","4","1","SK1019","Rieker, A.; Neumayer, M.; Hiller, W.","1,3,5-Tri-<i>tert</i>-butyl-5-(1,3,5-tri-<i>tert</i>-butyl-4-oxo-2,5-cyclohexadienyl)methylbicyclo[4.1.0]hept-3-en-2-one, a Highly Hindered Propane","Acta Crystallographica Section C","1996","52","9","2351","2353","10.1107/S0108270196004465","","","0.71073","MoKα","","0.0923","0.0451","","0.1137","0.094","","","","1.011","1.059","1.059","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005427","11.4291","0.0008","13.6877","0.0009","15.488","0.001","89.588","0.002","84.336","0.002","68.014","0.002","2234.6","0.3","294","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H60 I22 N8 O4 Sb6 -","- C32 I22 N8 O4 Sb6 -","- C32 I22 N8 O4 Sb6 -","1","0.5","SZ1036","Smyth, M. V.; Bailey, R. D.; Pennington, W. T.","Tetrakis(2,3,5,6-tetramethylpyrazinium) Tetra-μ~3~-iodo-hexa-μ-iodo-dodecaiodohexaantimonate(4‒) Tetrahydrate","Acta Crystallographica Section C","1996","52","9","2170","2173","10.1107/S0108270196006038","","","0.71073","MoKα","","","0.0633","","","0.0809","","","","","2.54","2.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005428","9.897","0.002","13.746","0.002","10.436","0.002","90","","99.81","0.02","90","","1399","0.4","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 Fe N6 P4 -","- C20 H48 Fe N6 P4 -","- C40 H96 Fe2 N12 P8 -","2","0.5","TA1025","Field, L. D.; George, A. V.; Pike, S. R.; Buys, I. E.; Hambley, T. W.","<i>trans</i>-Diazidobis[1,2-bis(diethylphosphino)ethane-<i>P</i>,<i>P</i>']iron(II)","Acta Crystallographica Section C","1996","52","9","2164","2166","10.1107/S0108270195008882","","","0.7109","MoKα","","","0.05","","","0.058","","","","","2.26","2.26","","","","","has coordinates,has disorder","199470","2020-10-21","18:00:00",""
"2005429","7.238","0.002","8.881","0.002","6.14","0.001","99.81","0.02","112.84","0.02","99.81","0.02","346.05","0.16","293.2","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H6 Co N6 Na O8 -","- C10 H6 Co N6 Na O8 -","- C10 H6 Co N6 Na O8 -","1","0.5","TA1045","Sharma, R. P.; Bhasin, K. K.; Tiekink, E. R. T.","Sodium Dinitritobis(pyrazine-2-carboxylato-<i>N</i>,<i>O</i>)cobaltate(III)","Acta Crystallographica Section C","1996","52","9","2140","2141","10.1107/S0108270195009322","","","0.7107","MoKα","","0.0339","0.0339","","0.0263","0.0283","","","","1.791","1.791","1.791","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005430","10.941","0.003","17.658","0.005","13.516","0.002","90","","110.4","0.02","90","","2447.5","1.1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cl3 N2 Sn -","- C25 H21 Cl3 N2 Sn -","- C100 H84 Cl12 N8 Sn4 -","4","1","TA1046","Hall, V. J.; Tiekink, E. R. T.","Benzyltrichloro(1,10-phenanthroline-<i>N</i>,<i>N</i>')tin(IV) Benzene Solvate (1/1)","Acta Crystallographica Section C","1996","52","9","2141","2143","10.1107/S0108270195009334","","","0.7107","MoKα","","0.0849","0.04","","0.0371","0.034","","","","1.556","1.753","1.753","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005431","7.765","0.005","13.805","0.002","10.292","0.003","90","","105.1","0.03","90","","1065.2","0.8","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl4 N2 Sn -","- C12 H30 Cl4 N2 Sn -","- C24 H60 Cl8 N4 Sn2 -","2","0.5","TA1047","Hall, V. J.; Tiekink, E. R. T.","Bis(diethylammonium) Tetrachlorodivinylstannate(IV)","Acta Crystallographica Section C","1996","52","9","2143","2145","10.1107/S0108270195009346","","","0.7107","MoKalpha","","0.153","0.0465","","0.043","0.0362","","","","1.46","1.839","1.839","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005432","10.114","0.003","11.289","0.004","21.103","0.009","90","","90","","90","","2409.5","1.5","293","1","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O8 -","- C25 H38 O8 -","- C100 H152 O32 -","4","1","TA1076","Chen, H.; Tan, R.; Liu, Z.; Liu, J.; Chen, M.","Lupulin D","Acta Crystallographica Section C","1996","52","9","2229","2231","10.1107/S0108270196004829","","","0.71073","MoKα","","","0.039","","","0.037","","","","","0.841","0.841","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005433","5.224","0.001","5.096","0.001","31.006","0.006","90","","94.53","0.03","90","","822.8","0.3","296","0.1","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-hexamethylenebis(3-pyridinecarboxamide)","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C36 H44 N8 O4 -","2","0.5","TA1081","Liu, Q.; Zhang, S.-W.; Wei, Y. G.; Shao, M.-C.","Anticancer and Antifertility Agents. II. <i>N</i>,<i>N</i>'-Hexamethylenebis(3-pyridinecarboxamide)","Acta Crystallographica Section C","1996","52","9","2260","2261","10.1107/S0108270196005045","","","0.71073","MoKα","","0.0691","0.0411","","0.0874","0.0639","","","","","1.62","1.62","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005434","4.47","0.002","17.568","0.002","10.183","0.002","90","","97.84","0.02","90","","792.2","0.4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Cl N O3 -","- C7 H8 Cl N O3 -","- C28 H32 Cl4 N4 O12 -","4","1","TA1084","Okabe, N.; Shimosaki, A.; Miura, J.","3-Hydroxyanthranilic Acid Hydrochloride","Acta Crystallographica Section C","1996","52","9","2345","2347","10.1107/S0108270196003368","","","0.71069","MoKα","","","0.054","","","0.056","","","","","1.58","1.58","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005435","10.599","0.001","3.775","0.001","26.517","0.003","90","","95.17","0.01","90","","1056.7","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H18 N2 O2 -","- C34 H18 N2 O4 -","- C68 H36 N4 O8 -","2","0.5","TA1086","Mizuguchi, J.","5,15-Diaza-6,16-dihydroxytetrabenzo[<i>b</i>,<i>e</i>,<i>k</i>,<i>n</i>]perylene","Acta Crystallographica Section C","1996","52","9","2315","2317","10.1107/S0108270196004271","","","0.71073","MoKα","","","0.058","","","0.065","","","","","1.212","1.212","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005436","7.085","0.001","9.836","0.001","10.704","0.001","102.95","0.01","95.58","0.01","98.54","0.01","712.29","0.15","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C32 H36 O8 -","2","1","VJ1039","Rajnikant; Gupta, V. K.; Singh, A.; Lal, M.; Varghese, B.","Coumurrayin","Acta Crystallographica Section C","1996","52","9","2272","2274","10.1107/S0108270196004209","","","0.71073","MoKα","","","0.05","","","0.144","","","","","0.9","0.9","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005437","12.383","0.002","11.802","0.003","11.373","0.005","90","","94.57","0.03","90","","1656.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diacetatobis(pyridine)palladium(II) Hydrate","","- C14 H18 N2 O5 Pd -","- C14 H18 N2 O5 Pd -","- C56 H72 N8 O20 Pd4 -","4","0.5","VS1019","Kravtsova, S. V.; Romm, I. P.; Stash, A. I.; Belsky, V. K.","Bis(acetato-<i>O</i>)bis(pyridine-<i>N</i>)palladium(II) Monohydrate and Bis(acetato-<i>O</i>)bis(diethylamine-<i>N</i>)palladium(II)","Acta Crystallographica Section C","1996","52","9","2201","2204","10.1107/S0108270196005732","","","0.71069","MoKα","","0.0269","0.0269","","0.0499","0.0499","","","","1.093","1.093","1.093","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005438","8.089","0.001","7.173","0.001","8.48","0.001","88.7","0.01","65.76","0.01","80.8","0.01","442.37","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diacetatobis(diethylamine)palladium(II)","","- C12 H28 N2 O4 Pd -","- C12 H28 N2 O4 Pd -","- C12 H28 N2 O4 Pd -","1","0.5","VS1019","Kravtsova, S. V.; Romm, I. P.; Stash, A. I.; Belsky, V. K.","Bis(acetato-<i>O</i>)bis(pyridine-<i>N</i>)palladium(II) Monohydrate and Bis(acetato-<i>O</i>)bis(diethylamine-<i>N</i>)palladium(II)","Acta Crystallographica Section C","1996","52","9","2201","2204","10.1107/S0108270196005732","","","0.71069","MoKα","","0.0188","0.0188","","0.048","0.048","","","","1.08","1.08","1.08","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005439","28.787","0.004","8.619","0.003","11.623","0.005","90","","95.64","0.02","90","","2869.9","1.6","298","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 N Na O7 S -","- C10 H16 N Na O7 S -","- C80 H128 N8 Na8 O56 S8 -","8","1","AB1205","Wang, J.-L.; Li, G.-P.; Zhang, L.-J.; Li, B.; Ma, S.-K.; Niu, Z.-C.; Miao, F.-M.","Sodium 1-Naphthylamine-6-sulfonate‒Water (1/4)","Acta Crystallographica Section C","1996","52","10","2476","2477","10.1107/S0108270195004987","","","0.71073","MoKα","","","0.05","","","0.058","","","","","0.815","0.815","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005440","10.71","0.001","16.485","0.002","9.124","0.001","90","","113.59","0.01","90","","1476.3","0.3","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl O -","- C19 H13 Cl O -","- C76 H52 Cl4 O4 -","4","1","AB1316","Kumaran, D.; Eswaramoorthy, S.; Ponnuswamy, M. N.; Raju, K. S.; Nanjundan, S.","3-(2-Chlorophenyl)-1-(2-naphthyl)-2-propen-1-one","Acta Crystallographica Section C","1996","52","10","2543","2545","10.1107/S0108270195016490","","","1.5418","CuKα","","","0.055","","","0.076","","","","","1.3","1.3","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005441","16.531","0.004","13.224","0.002","22.633","0.002","90","","87.85","0.02","90","","4944.2","1.5","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Ti -","- C22 H17.6667 Ti -","- C264 H212 Ti12 -","12","3","AB1327","Zhu, Y.; Shen, X.-M.","2,2'-Biphenylbis(η-cyclopentadienyl)titanium","Acta Crystallographica Section C","1996","52","10","2422","2425","10.1107/S0108270196001011","","","1.54184","CuKα","","","0.071","","","0.075","","","","","2.49","2.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005442","10.589","0.003","9.396","0.002","21.132","0.005","90","0.02","93.24","0.02","90","0.02","2099.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tris(2-hydroxyethyl)ammonium (2,6-dichlorophenyl)amino-phenylacetate (HTEA.D)","","- C20 H26 Cl2 N2 O5 -","- C20 H26 Cl2 N2 O5 -","- C80 H104 Cl8 N8 O20 -","4","1","AB1345","Castellari, C.; Ottani, S.","Diclofenac Salts. IV. Tris(2-hydroxyethyl)ammonium 2-(2,6-Dichlorophenylamino)phenylacetate","Acta Crystallographica Section C","1996","52","10","2619","2622","10.1107/S0108270196006300","","","0.71069","MoKα","","0.1955","0.0464","","0.1006","0.0698","","","","0.955","1.133","1.133","","","","","has coordinates,has disorder,has Fobs","301791","2025-08-18","23:15:27",""
"2005443","11.559","0.002","11.559","0.002","21.783","0.004","90","","90","","120","","2520.5","0.8","293","2","293","2","","","","","","","","3","R 3 2 :H","R 3 2""","155","","Perchlorotriphenylcarbonium hexachloroantimonate(V)","","- C19 Cl21 Sb -","- C19 Cl21.008 Sb -","- C57 Cl63.024 Sb3 -","3","0.166667","AB1351","Molins, E.; Mas, M.; Maniukiewicz, W.; Ballester, M.; Castañer, J.","Perchlorotriphenylcarbenium Hexachloroantimonate(V)","Acta Crystallographica Section C","1996","52","10","2412","2414","10.1107/S0108270196007287","","","0.71073","MoKα","","0.049","0.0438","","0.1379","0.1322","","","","1.026","1.025","1.025","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005444","13.273","0.003","9.692","0.002","38.608","0.008","90","","99.19","0.03","90","","4902.9","1.9","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","di(ciprofloxacinium) hexaaquamagnesium(II) bis(sulfate) hexahydrate","","- C34 H62 F2 Mg N6 O26 S2 -","- C34 H62 F2 Mg N6 O26 S2 -","- C136 H248 F8 Mg4 N24 O104 S8 -","4","0.5","AB1358","Turel, I.; Leban, I.; Zupancic, M.; Bukovec, P.; Gruber, K.","An Adduct of Magnesium Sulfate with a Member of the Quinolone Family (Ciprofloxacin)","Acta Crystallographica Section C","1996","52","10","2443","2445","10.1107/S0108270196005343","","","0.71073","MoKα","","0.1325","0.06","","0.1695","0.1172","","","","1.048","1.091","1.091","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2005445","5.766","0.001","7.46","0.001","7.267","0.003","90","","92.45","0.03","90","","312.3","0.15","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H9 Br S -","- C3 H9 Br S -","- C6 H18 Br2 S2 -","2","0.5","AB1364","Svensson, P. H.; Kloo, L.","Trimethylsulfonium Bromide","Acta Crystallographica Section C","1996","52","10","2580","2581","10.1107/S0108270196006610","","","0.71069","MoKα","","","0.025","","","0.026","","","","","1.54","1.54","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005446","11.8328","0.0016","7.5583","0.0014","12.387","0.003","90","","90","","90","","1107.8","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Compound 5","4-methylpyridazin-3(2H)-one","","- C5 H6 N2 O -","- C5 H6 N2 O -","- C40 H48 N16 O8 -","8","1","AB1367","Blake, A. J.; McNab, H.","Four Simple Pyridazin-3(2<i>H</i>)-ones","Acta Crystallographica Section C","1996","52","10","2622","2627","10.1107/S0108270196005355","","","0.71073","MoKα","","0.207","0.0566","","0.1738","0.1085","","","","0.933","1.075","1.075","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005447","6.903","0.002","6.302","0.002","14.406","0.003","90","","92.12","0.03","90","","626.3","0.3","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound 6.H~2~O","5-methylpyridazin-3(2H)-one monohydrate","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","1","AB1367","Blake, A. J.; McNab, H.","Four Simple Pyridazin-3(2<i>H</i>)-ones","Acta Crystallographica Section C","1996","52","10","2622","2627","10.1107/S0108270196005355","","","0.71073","MoKα","","0.0533","0.0412","","0.1162","0.1054","","","","1.061","1.099","1.099","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005448","6.325","0.002","6.322","0.003","15.597","0.004","90","","90","","90","","623.7","0.4","150","0.2","150","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","Compound 7.H~2~O","6-methylpyridazin-3(2H)-one monohydrate","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","0.5","AB1367","Blake, A. J.; McNab, H.","Four Simple Pyridazin-3(2<i>H</i>)-ones","Acta Crystallographica Section C","1996","52","10","2622","2627","10.1107/S0108270196005355","","","0.71073","MoKα","","0.0825","0.0481","","0.1529","0.1229","","","","1.035","1.074","1.074","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005449","5.7","0.004","26.428","0.018","6.712","0.005","90","","110.94","0.07","90","","944.3","1.2","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound 8","2-(p-tolyl)pyridazin-3(2H)-one","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","AB1367","Blake, A. J.; McNab, H.","Four Simple Pyridazin-3(2<i>H</i>)-ones","Acta Crystallographica Section C","1996","52","10","2622","2627","10.1107/S0108270196005355","","","0.71073","MoKα","","0.0949","0.0538","","0.2555","0.1336","","","","1.06","1.081","1.081","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005450","10.006","0.001","14.876","0.001","11.34","0.001","90","","102.93","0.01","90","","1645.2","0.3","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cu N4 O6 -","- C34 H38 Cu N4 O6 -","- C68 H76 Cu2 N8 O12 -","2","0.5","AB1371","Hökelek, T.; Gündüz, H.; Necefouglu, H.","<i>trans</i>-Bis(benzoato-<i>O</i>,<i>O</i>')bis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)copper(II)","Acta Crystallographica Section C","1996","52","10","2470","2473","10.1107/S0108270196006312","","","0.71073","MoKα","","","0.0427","","","0.0448","","","","","1.21","1.21","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005451","12.96","0.002","17.444","0.003","8.068","0.002","90","","90","","90","","1824","0.6","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanocycloamphilect- 11(20)-ene","","","- C21 H31 N -","- C21 H31 N -","- C84 H124 N4 -","4","1","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.0769","0.0466","","0.0436","0.041","","","","","1.706","1.706","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005452","14.319","0.002","17.591","0.004","7.145","0.002","90","","90","","90","","1799.7","0.7","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1S*,3S*,4R*,7S*,8S*,11R*,12R*,13S*,20S*)-7- isocyanoisocycloamphilect-14-ene","","","- C21 H31 N -","- C21 H31 N -","- C84 H124 N4 -","4","1","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.1233","0.0564","","0.0469","0.0431","","","","","2.091","2.091","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005453","9.502","0.001","9.942","0.001","9.841","0.002","90","","106.6","0.01","90","","890.9","0.2","173","1","173","1","","","","","","","","3","P 1 21 1","P 2yb","4","(1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanoamphilecta- 11(20),15-diene","","","- C21 H31 N -","- C21 H31 N -","- C42 H62 N2 -","2","1","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.0505","0.0393","","0.0383","0.0374","","","","","2.008","2.008","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005454","20.38","0.006","32.683","0.009","8.37","0.007","90","","90","","90","","5575","5","173","1","173","1","","","","","","","","3","P 21 21 2","P 2 2ab","18","(1R*,3S*,4R*,7S*,8S*,13R*)-7-isocyanoamphilecta-11,14-diene","","","- C21 H31 N -","- C21 H31 N -","- C252 H372 N12 -","12","3","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.1569","0.0573","","0.0538","0.0459","","","","","1.711","1.711","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005455","10.6038","0.0011","10.4252","0.0011","10.8255","0.0012","90","","118.675","0.002","90","","1050","0.2","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(μ~2~-pinacolato-O,O')-bis(pinacolato-O,O')-diboron","","- C18 H36 B2 O6 -","- C18 H36 B2 O6 -","- C36 H72 B4 O12 -","2","0.5","AB1397","Clegg, W.; Scott, A. J.; Dai, C.; Lesley, G.; Marder, T. B.; Norman, N. C.; Farrugia, L. J.","(μ~2~-Pinacolato-<i>O</i>,<i>O</i>')-bis(pinacolato-<i>O</i>,<i>O</i>')diboron","Acta Crystallographica Section C","1996","52","10","2545","2547","10.1107/S0108270196008177","","","0.71073","MoKα","","0.0587","0.0471","","0.1064","0.0983","","","","1.133","1.146","1.146","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005456","16.535","0.005","3.8939","0.001","19.89","0.005","90","","111.87","0.008","90","","1188.5","0.6","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","m-nitro-N-(p-methoxybenzylidene)aniline","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","AB1402","Clegg, W.; Elsegood, M. R. J.; Heath, S. L.; Houlton, A.; Shipman, M. A.","Conformational Flexibility in <i>N</i>-Benzylideneanilines","Acta Crystallographica Section C","1996","52","10","2548","2552","10.1107/S0108270196009225","","","0.71073","MoKα","","0.0932","0.0715","","0.1765","0.1674","","","","1.221","1.354","1.354","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005457","11.4508","0.001","7.3793","0.0007","29.047","0.003","90","0.002","99.642","0.002","90","0.002","2419.8","0.4","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","p-nitro-N-(p-methoxybenzylidene)aniline","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","2","AB1402","Clegg, W.; Elsegood, M. R. J.; Heath, S. L.; Houlton, A.; Shipman, M. A.","Conformational Flexibility in <i>N</i>-Benzylideneanilines","Acta Crystallographica Section C","1996","52","10","2548","2552","10.1107/S0108270196009225","","","0.71073","MoKα","","0.056","0.0386","","0.1061","0.0937","","","","1.063","1.077","1.077","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005458","25.559","0.002","7.0926","0.0007","22.138","0.002","90","","110.792","0.008","90","","3751.8","0.6","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-Dihydroxybenzophenone–4,4'-Bipyridyl (1/1)","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C184 H144 N16 O24 -","8","1","AB1404","Coupar, P. I.; Ferguson, G.; Glidewell, C.","Hydrogen-Bonded Chains in 4,4'-Dihydroxybenzophenone–4,4'-Bipyridyl (1/1) and Chains of Rings in 1,3,5-Trihydroxybenzene–4,4'-Bipyridyl (2/3)","Acta Crystallographica Section C","1996","52","10","2524","2528","10.1107/S0108270196008669","","","0.7107","MolybdenumKα","","0.1775","0.0706","","0.1513","0.1251","","","","0.951","1.273","1.273","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005459","16.716","0.005","13.765","0.005","17.782","0.003","90","","117.18","0.02","90","","3639.8","1.9","294","1","294","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,3,5-Trihydroxybenzene–4,4'-Bipyridyl (2/3)","","- C42 H36 N6 O6 -","- C42 H36 N6 O6 -","- C168 H144 N24 O24 -","4","1","AB1404","Coupar, P. I.; Ferguson, G.; Glidewell, C.","Hydrogen-Bonded Chains in 4,4'-Dihydroxybenzophenone–4,4'-Bipyridyl (1/1) and Chains of Rings in 1,3,5-Trihydroxybenzene–4,4'-Bipyridyl (2/3)","Acta Crystallographica Section C","1996","52","10","2524","2528","10.1107/S0108270196008669","","","0.7107","MolybdenumKα","","0.2379","0.0769","","0.1875","0.1428","","","","0.905","1.486","1.486","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005460","15.048","0.002","19.295","0.003","8.1684","0.001","90","","90","","90","","2371.7","0.6","294","1","294","1","","","","","","","","4","A b a 2","A 2 -2ab","41","","4,4'-Sulfonyldiphenol","","- C12 H10 O4 S -","- C12 H10 O4 S -","- C96 H80 O32 S8 -","8","","AB1406","Glidewell, C.; Ferguson, G.","Interpenetrating Square Nets in the Hydrogen-Bonded Structure of 4,4'-Sulfonyldiphenol","Acta Crystallographica Section C","1996","52","10","2528","2530","10.1107/S0108270196009316","","","0.7107","MolybdenumKα","","0.1579","0.0468","","0.0874","0.0722","","","","0.905","1.294","1.294","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005461","11.447","0.001","12.989","0.001","24.881","0.001","90","","90","","90","","3699.4","0.5","294","","","","","","","","","","","5","P b c n","","","","","","- C20 H24 N2 O3 S -","- C20 H24 N2 O3 S -","- C160 H192 N16 O24 S8 -","8","1","BK1153","Kumaradhas, P.; Nirmala, K. A.; Sridhar, M. A.","<i>cis</i>-(±)-5-[2-(Dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one","Acta Crystallographica Section C","1996","52","10","2595","2597","10.1107/S0108270196005070","","","0.7093","MoKα","","","0.0486","","","0.1087","","","","","1.205","1.205","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005462","9.0882","0.0008","12.7583","0.0014","15.5461","0.0013","90","","104.725","0.007","90","","1743.4","0.3","163","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 B O -","- C22 H23 B O -","- C88 H92 B4 O4 -","4","1","BK1195","Evans, W. J.; Shreeve, J. L.; Ziller, J. W.","Triphenyl(tetrahydrofuranyl)boron","Acta Crystallographica Section C","1996","52","10","2571","2573","10.1107/S0108270196006683","","","0.71073","MoKα","","","0.063","","","0.067","","","","","1.31","1.31","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005463","11.49","0.002","11.49","0.002","30.906","0.003","90","","90","","90","","4080.2","1.1","153.2","","153.2","","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C30 H32 Cd F10 N6 Nb2 O2 -","- C32 H32 Cd F10 N8 Nb2 O2 -","- C128 H128 Cd4 F40 N32 Nb8 O8 -","4","0.25","BK1219","Halasyamani, P.; Willis, M. J.; Heier, K. R.; Stern, C. L.; Poeppelmeier, K. R.","[pyH^+^]~2~[CdNb~2~(py)~4~O~2~F~10~]^2{-^}","Acta Crystallographica Section C","1996","52","10","2491","2493","10.1107/S0108270196007573","","","0.7107","MoKα","","","0.0245","","","0.0289","","","","","2.35","2.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005464","10.2743","0.0001","9.6211","0.0002","17.3827","0.0004","90","","94.95","0.001","90","","1711.87","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 3-(9-anthryl)-5-methyl-4-isoxazolecarboxylate","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","BK1222","Mosher, M. D.; Natale, N. R.; Vij, A.","An Intercalating Isoxazole","Acta Crystallographica Section C","1996","52","10","2513","2515","10.1107/S0108270196005082","","","0.71073","MoKα","","0.0498","0.047","","0.111","0.1094","","","","1.2","1.222","1.222","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005465","9.615","0.002","4.909","0.001","21.126","0.004","90","","99.02","0.03","90","","984.8","0.4","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","catena-poly[μ-(difluorophosphato-O:O')bis{silver-μ- (4,4'-dicyanodiphenylacetylene-N:N')}]","","- C16 H8 Ag2 F4 N2 O4 P2 -","- C16 H8 Ag2 F4 N2 O4 P2 -","- C32 H16 Ag4 F8 N4 O8 P4 -","2","0.5","BK1228","Hirsch, K. A.; Wilson, S. R.; Moore, J. S.","A Silver(I) Complex of 4,4'-Dicyanodiphenylacetylene with a Difluorophosphate (PO~2~F~2~^{-^}) Counterion","Acta Crystallographica Section C","1996","52","10","2419","2422","10.1107/S0108270196005173","","","0.71073","MoKα","","0.0403","0.03","","0.078","0.0726","","","","1.05","1.089","1.089","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005466","25.483","0.004","8.0133","0.0019","15.339","0.004","90","","121.581","0.014","90","","2668.4","1.1","297","","297","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H48 O6 -","- C28 H42 O6 -","- C112 H168 O24 -","4","1","BK1233","Wahle, M. C.; Byrn, S. R.","3α,7α,12α-Trihydroxy-5β-cholan-24-oic Acid Methyl Ester Ethanolate (Methyl Cholate Ethanolate)","Acta Crystallographica Section C","1996","52","10","2500","2502","10.1107/S0108270196005161","","","1.54184","Cu-Kα","","0.088","0.062","","0.19","0.19","","","","1.101","1.101","1.101","","","","","has coordinates","198472","2020-10-21","18:00:00",""
"2005467","7.793","0.006","15.72","0.009","20.514","0.012","90","","90","","90","","2513","3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate Methanolate","","- C25 H43 Na O6 -","- C25 H43 Na O6 -","- C100 H172 Na4 O24 -","4","1","BK1236","Wahle, M. C.; Byrn, S. R.","Sodium Cholate Methanolate and Sodium Cholate 2-Propanolate","Acta Crystallographica Section C","1996","52","10","2495","2499","10.1107/S0108270196006506","","","0.71073","MoKα","","0.099","0.068","","0.156","0.156","","","","1.045","1.045","1.045","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005468","10.466","0.002","7.6364","0.0019","17.197","0.002","90","","90.37","0.012","90","","1374.4","0.5","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate 2-Propanolate","","- C27 H47 Na O6 -","- C27 H47 Na O6 -","- C54 H94 Na2 O12 -","2","1","BK1236","Wahle, M. C.; Byrn, S. R.","Sodium Cholate Methanolate and Sodium Cholate 2-Propanolate","Acta Crystallographica Section C","1996","52","10","2495","2499","10.1107/S0108270196006506","","","1.54184","CuKα","","0.205","0.063","","0.205","0.134","","","","1.088","1.216","1.216","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005469","9.8583","0.0003","10.7631","0.0001","11.3841","0.0003","64.636","0.002","84.154","0.002","83.762","0.002","1082.96","0.05","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C52 H62 N2 O6 -","2","1","BK1243","Dixon, J. A.; Swiss, K. A.; Denmark, S. E.","<i>rel</i>-(1<i>R</i>,6<i>S</i>,7<i>S</i>,8<i>R</i>,9<i>S</i>)-9-Methyl-8-phenyl-6-[(1<i>S</i>,2<i>R</i>)-(2-phenylcyclohexyl)oxy]-4-aza-3,5-dioxatricyclo[5.2.1.0^4,9^]decane","Acta Crystallographica Section C","1996","52","10","2561","2563","10.1107/S0108270196006671","","","0.71073","MoKα","","0.1001","0.049","","0.126","0.1011","","","","1.03","1.084","1.084","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005470","33.749","0.004","4.459","0.003","28.151","0.003","90","","98.59","0.01","90","","4189","3","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","fluorene-9-carboxylic acid","","","- C14 H10 O2 -","- C14 H10 O2 -","- C224 H160 O32 -","16","2","BK1245","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","Fluorene-9-carboxylic Acid","Acta Crystallographica Section C","1996","52","10","2638","2641","10.1107/S0108270196006269","","","0.71073","MoKα","","","0.04","","","0.05","","","","","1.64","1.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005471","18.494","0.008","9.857","0.003","20.886","0.008","90","","100.83","0.03","90","","3740","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro-bis(diphenylmethylphosphine)- (η^2^-3,3-diphenylcyclopropene)-oxo-tungsten","","- C41 H38 Cl2 O P2 W -","- C41 H38 Cl2 O P2 W -","- C164 H152 Cl8 O4 P8 W4 -","4","1","BK1246","Day, M. W.; Wilhelm, T. E.; Grubbs, R. H.","A Diphenylcyclopropene Complex of Tungsten, [WCl~2~O(PMePh~2~)~2~(η^2^-3,3-diphenylcyclopropene)], Precursor to a Tungsten‒Oxo‒Olefin Metathesis Catalyst","Acta Crystallographica Section C","1996","52","10","2460","2462","10.1107/S0108270196006464","","","0.71073","MoKα","","0.0658","0.036","","0.0765","0.062","","","","1.502","1.47","1.47","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005472","9.5","0.002","10.031","0.003","4.91","0.002","90","","97.4","0.02","90","","464","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C6 H8 Cl2 N4 -","- C6 H8 Cl2 N4 -","- C12 H16 Cl4 N8 -","2","0.25","BK1258","Bélanger, S.; Beauchamp, A. L.","2,2'-Bi(1<i>H</i>-imidazolium) Dichloride","Acta Crystallographica Section C","1996","52","10","2588","2590","10.1107/S0108270196008098","","","1.54056","CopperKα","","0.0439","0.043","","0.109","0.1084","","","","1.12","1.146","1.146","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005473","4.837","0.001","13.296","0.001","18.24","0.001","90","","90","","90","","1173.1","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 F2 N2 O4 -","- C10 H12 F2 N2 O4 -","- C40 H48 F8 N8 O16 -","4","1","BM1043","Das, A. K.; Mukhopadhyay, A.; Das, N.; Mazumdar, S. K.; Bertolasi, V.; Van Aerschot, A.","3'-Deoxy-2',3'-difluorothymidine, a Nucleoside Analogue","Acta Crystallographica Section C","1996","52","10","2615","2616","10.1107/S010827019600282X","","","0.71073","MoKα","","","0.037","","","0.042","","","","","1.428","1.428","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005474","8.469","0.008","13.474","0.008","11.256","0.009","90","","106.29","0.06","90","","1232.9","1.7","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N2 O2 S -","- C12 H16 N2 O2 S -","- C48 H64 N8 O8 S4 -","4","1","BM1075","Fortes, A. G.; Johnstone, R. A. W.; Mahmood, S.","<i>N</i>-(1-Methyl-2-pyrrolidinylidene)-<i>p</i>-toluenesulfonamide: a Condensation Product of 4-Methylphenylsulfonyl Isocyanate and 1-Methyl-2-pyrrolidone","Acta Crystallographica Section C","1996","52","10","2569","2570","10.1107/S0108270196006750","","","0.71073","MoKα","","","0.0549","","","0.0579","","","","","1.977","1.977","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005475","7.4346","0.001","15.8698","0.001","12.559","0.001","90","","96.91","0.01","90","","1471","0.2","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","trans-[bis(dimethylamino)bis(1-methylcytosine) platinum(II)]bis(tetrachlorothallate(III))","","- C12 H24 Cl8 N8 O2 Pt Tl2 -","- C12 H24 Cl8 N8 O2 Pt Tl2 -","- C24 H48 Cl16 N16 O4 Pt2 Tl4 -","2","0.5","BM1076","Zangrando, E.; Randaccio, L.; Pichierri, F.; Lippert, B.; Holthenrich, D.","<i>trans</i>-Bis(methylamine-<i>N</i>)bis(1-methylcytosine-<i>N</i>^3^)platinum(II) Bis[tetrachlorothallate(III)]","Acta Crystallographica Section C","1996","52","10","2468","2470","10.1107/S010827019600683X","","","0.71073","MoKα","","0.0978","0.0351","","","0.0384","","","","","1.08","1.08","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005476","6.768","0.012","10.675","0.014","12.384","0.012","81.37","0.05","77.01","0.05","74.77","0.12","837","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Maleimide","","","- C4 H3 N O2 -","- C4 H3 N O2 -","- C32 H24 N8 O16 -","8","4","BM1088","Cox, P. J.; Parker, S. F.","Maleimide","Acta Crystallographica Section C","1996","52","10","2578","2580","10.1107/S0108270196006841","","","0.71073","MoKα","","0.1407","0.063","","0.1715","0.1398","","","","0.764","1.123","1.123","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005477","9.2065","0.0004","11.1298","0.0009","20.0264","0.0008","90","","90","","90","","2052","0.2","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- La Mo8 O14 -","- La Mo8 O14 -","- La8 Mo64 O112 -","8","1","BR1140","Kerihuel, G.; Tortelier, J.; Gougeon, P.","LaMo~8~O~14~","Acta Crystallographica Section C","1996","52","10","2389","2393","10.1107/S010827019600532X","","","0.71073","MoKα","","0.0562","0.0365","","0.0816","0.0772","","","","1.142","1.234","1.234","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005478","4.52","0.002","4.52","0.002","15.484","0.008","90","","90","","90","","316.3","0.3","113","2","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ag0.64 Cs Mn1.18 Te2 -","- Ag0.64 Cs Mn1.18 Te2 -","- Ag1.28 Cs2 Mn2.36 Te4 -","2","0.0625","BR1142","Wu, E. J.; Pell, M. A.; Ibers, J. A.","CsAg~0.64~Mn~1.18~Te~2~","Acta Crystallographica Section C","1996","52","10","2384","2385","10.1107/S0108270196006294","","","0.7093","MoKα~1~","","","0.0308","","","0.1182","","","","","2.392","2.392","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005479","8.984","0.002","16.588","0.004","13.732","0.002","90","","103.27","0.02","90","","1991.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-hexanoyl-1-tosylindole","3-hexanoyl-1-(p-methylphenylsulphonyl)indole","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","CF1004","Mohialdin-Khaffaf, S.; Persaud, K. C.; Pritchard, R. G.","3-Hexanoyl-1-tosylindole. A Highly Stereospecific Preparation of 3-Alkyl-Substituted Indoles","Acta Crystallographica Section C","1996","52","10","2607","2609","10.1107/S010827019600580X","","","0.71069","MoKα","","0.2052","0.0659","","0.3392","0.1973","","","","1.078","1.222","1.222","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005480","13.2001","0.0012","19.4239","0.0015","15.1868","0.0013","90","","90","","90","","3893.9","0.6","297","","297","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[N-2-propylsalicylideneamino]cobalt(II)","","- C20 H24 Co N2 O2 -","- C20 H24 Co N2 O2 -","- C160 H192 Co8 N16 O16 -","8","1","CF1056","Elerman, Y.; Kabak, M.; Tahir, M. N.","Bis(<i>N</i>-2-propylsalicylideneamino-<i>N</i>,<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1996","52","10","2434","2436","10.1107/S0108270196007111","","","0.71073","MoKα","","","0.035","","","0.04","","","","","1.27","1.27","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005481","4.8797","0.0011","12.155","0.001","14.7338","0.0016","68.364","0.01","86.482","0.012","78.77","0.011","796.7","0.2","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N2 O11 Pb -","- C14 H10 N2 O11 Pb -","- C28 H20 N4 O22 Pb2 -","2","1","CF1064","Tahir, M. N.; Ülkü, D.; Mövsümov, E. M.","Aquabis(<i>p</i>-nitrosalicylato-<i>O</i>,<i>O</i>')lead(II)","Acta Crystallographica Section C","1996","52","10","2436","2439","10.1107/S0108270196007123","","","0.71073","MoKα","","","0.027","","","0.029","","","","","0.88","0.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005482","10.608","0.003","19.147","0.006","17.448","0.005","90","","107.22","0.02","90","","3385","1.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)-cis-1,2-O-Cyclohexylidene-3,4,5,6-tetra-O-benzyl myo-inositol","","- C40 H44 O6 -","- C40 H44 O6 -","- C160 H176 O24 -","4","1","CF1070","Spiers, I. D.; Schwalbe, C. H.; Freeman, S.","3,4,5,6-Tetra-<i>O</i>-benzyl-<i>cis</i>-1,2-<i>O</i>-cyclohexylidene <i>myo</i>-Inositol","Acta Crystallographica Section C","1996","52","10","2575","2578","10.1107/S0108270196005410","","","0.71069","MoKα","","0.1479","0.0511","","0.1513","0.1065","","","","1.005","1.126","1.126","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005483","21.519","0.003","5.5068","0.0004","16.422","0.002","90","","128.692","0.012","90","","1518.9","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3RS,6SR)-2,5-dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","0.5","CF1094","Benecke, B.; Bolte, M.","<i>trans</i>- and <i>cis</i>-2,5-Dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","Acta Crystallographica Section C","1996","52","10","2586","2588","10.1107/S0108270196006634","","","0.71069","MoKα","","0.0588","0.0416","","0.1366","0.1079","","","","1.11","1.175","1.175","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005484","15.7468","0.0004","17.3677","0.0005","11.5306","0.0004","90","","90","","90","","3153.45","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3RS,6RS)-2,5-dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","1","CF1094","Benecke, B.; Bolte, M.","<i>trans</i>- and <i>cis</i>-2,5-Dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","Acta Crystallographica Section C","1996","52","10","2586","2588","10.1107/S0108270196006634","","","1.5418","CuKα","","0.0415","0.0387","","0.1055","0.102","","","","1.079","1.085","1.085","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005485","9.709","0.002","15.482","0.002","18.267","0.003","90","","96.2","0.01","90","","2729.7","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","cis-Dichloro(triethylphosphine-P)[tris(2,6-difluorophenyl)phosphite-P] platinum(II)","","- C24 H24 Cl2 F6 O3 P2 Pt -","- C24 H24 Cl2 F6 O3 P2 Pt -","- C96 H96 Cl8 F24 O12 P8 Pt4 -","4","1","CF1103","Fawcett, J.; Holloway, J. H.; Hope, E. G.; Saunders, G. C.; Atherton, M. J.","<i>cis</i>-Dichloro(triethylphosphine-<i>P</i>)[tris(2,6-difluorophenyl)phosphite-<i>P</i>]platinum(II)","Acta Crystallographica Section C","1996","52","10","2463","2464","10.1107/S0108270196007160","","","0.71073","MoKα","","0.0428","0.0293","","0.0669","0.0616","","","","1.043","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005486","6.873","0.001","7.2268","0.0014","7.471","0.002","80.41","0.02","80.27","0.02","67.121","0.01","334.88","0.12","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Pyridine-2,5-dimethanol","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C14 H18 N2 O4 -","2","1","CF1110","Bell, W.; Coupar, P. I.; Ferguson, G.; Glidewell, C.","Multiple Hydrogen Bonds in Pyridine-2,6-dimethanol and Benzene-1,3,5-trimethanol","Acta Crystallographica Section C","1996","52","10","2520","2524","10.1107/S0108270196006014","","","0.7107","MoKα","","0.106","0.0483","","0.1328","0.1182","","","","0.969","1.203","1.203","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005487","4.566","0.0003","8.1331","0.0005","23.173","0.003","90","","90","","90","","860.55","0.14","294","1","294","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Benzene-1,3,5-trimethanol","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","CF1110","Bell, W.; Coupar, P. I.; Ferguson, G.; Glidewell, C.","Multiple Hydrogen Bonds in Pyridine-2,6-dimethanol and Benzene-1,3,5-trimethanol","Acta Crystallographica Section C","1996","52","10","2520","2524","10.1107/S0108270196006014","","","0.7107","MoKα","","0.0921","0.0434","","0.1004","0.0889","","","","1.05","1.244","1.244","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005488","8.1765","0.001","8.1765","","26.34","0.002","90","","90","","120","","1525","0.2","294","1","294","1","","","","","","","","4","P 31 2 1","P 31 2""","152","","Ferrocene-1,1'-diylbis(2-phenylethanedione)","","- C26 H18 Fe O4 -","- C26 H18 Fe O4 -","- C78 H54 Fe3 O12 -","3","0.5","CF1133","Ferguson, G.; Glidewell, C.; Royles, B. J. L.; Smith, D. M.","1,1'-Ferrocenediylbis(2-phenylethanedione): a Three-Dimensional Network Generated by Short C—H···O Hydrogen Bonds","Acta Crystallographica Section C","1996","52","10","2465","2468","10.1107/S0108270196009699","","","0.7107","MolybdenumKα","","0.0681","0.0487","","0.1157","0.1074","","","","1.065","1.134","1.134","","","","","has coordinates","192286","2020-10-21","18:00:00",""
"2005489","7.529","0.004","20.689","0.012","30.469","0.016","90","","90","","90","","4746","4","302.3","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N4 O4 S2 -","- C13 H16 N4 O4 S2 -","- C156 H192 N48 O48 S24 -","12","3","DE1032","Biswas, G.; Chandra, T.; Garg, N.; Bhakuni, D. S.; Pramanik, A.; Avasthi, K.; Maulik, P. R.","A [3.1.0]-Fused 2',3'-Modified β-<small>D</small>-Pyrazolo[3,4-<i>d</i>]pyrimidine Nucleoside","Acta Crystallographica Section C","1996","52","10","2563","2566","10.1107/S0108270196004015","","","0.71073","MoKα","","","0.052","","","0.087","","","","","1.106","1.106","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005490","13.616","0.001","11.977","0.002","15.804","0.001","90","","111.09","0.02","90","","2404.7","0.6","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 N O4 -","- C26 H31 N O4 -","- C104 H124 N4 O16 -","4","1","DE1036","Gunasekaran, K.; Velmurugan, D.; Murugan, P.; Ramakrishnan, V. T.; Panneerselvam, K.; Soriano-García, M.","3,4,6,7,9,10-Hexahydro-3,3,6,6-tetramethyl-1,8(2<i>H</i>,5<i>H</i>)-dioxo-10-phenyl-9-acridinylmethyl Acetate","Acta Crystallographica Section C","1996","52","10","2609","2612","10.1107/S010827019600652X","","","1.54184","CuKα","","","0.0516","","","0.134","","","","","0.903","0.903","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005491","9.673","0.001","6.992","0.003","22.867","0.003","90","","90","","90","","1546.6","0.7","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Trieuropium Boron Disilicate","","- B Eu3 O10 Si2 -","- B Eu3 O10 Si2 -","- B8 Eu24 O80 Si16 -","8","1","DU1155","Chi, L.; Chen, H.; Deng, S.; Zhuang, H.; Huang, J.","A New Europium Borosilicate, Eu~3~BSi~2~O~10~","Acta Crystallographica Section C","1996","52","10","2385","2387","10.1107/S0108270196005069","","","0.71073","MoKα","","","0.0527","","","0.0608","","","","","0.61","0.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005492","13.032","0.004","11.948","0.004","16.295","0.005","90","","103.83","0.02","90","","2463.7","1.4","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","catena-poly[-μ-aqua-bis(trifluoromethanesulphonatosilver-μ- (1,4-dicyanobenzene-N:N'))]","","- C18 H10 Ag2 F6 N4 O7 S2 -","- C18 H10 Ag2 F6 N4 O7 S2 -","- C72 H40 Ag8 F24 N16 O28 S8 -","4","0.5","FG1114","Venkataraman, D.; Gardner, G. B.; Covey, A. C.; Lee, S.; Moore, J. S.","Silver(I) Complexes of 1,4-Dicyanobenzene","Acta Crystallographica Section C","1996","52","10","2416","2419","10.1107/S0108270196006099","","","0.71073","MoKα","","0.0476","0.0318","","0.0801","0.073","","","","1.065","1.103","1.103","","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2005493","12.165","0.003","13.296","0.009","15.175","0.008","90","","90","0.001","90","0.001","2454.7","2.1","293","2","","","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C8 H6 Ag F6 N2 O P -","- C8 H6 Ag F6 N2 O P -","- C64 H48 Ag8 F48 N16 O8 P8 -","8","","","","A New Europium Borosilicate, Eu~3~BSi~2~O~10~ Silver(I) Complexes of 1,4-Dicyanobenzene","Acta Crystallographica C","1996","52","","2385","2387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005494","7.313","0.002","9.057","0.002","6.994","0.002","107.63","0.02","117.6","0.02","74.81","0.002","387.16","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Trans-Dichlorobis(creatinine)platinum(II) Dyhydrate","","- C8 H18 Cl2 N6 O4 Pt -","- C8 H18 Cl2 N6 O4 Pt -","- C8 H18 Cl2 N6 O4 Pt -","1","0.5","FG1117","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.; Martín-Gil, J.; Martín-Gil, F. J.","A New Allotropic Form of <i>trans</i>-Dichlorobis(creatinine)platinum(II) Dihydrate","Acta Crystallographica Section C","1996","52","10","2450","2452","10.1107/S0108270196008086","","","0.71073","MoKα","","0.0851","0.0388","","0.0551","0.0478","","","","0.995","1.023","1.023","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005495","13.193","0.006","14.523","0.007","23.784","0.009","82.26","0.04","102.89","0.03","109.25","0.03","4185","3","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H67 N O P3 Ta Te10 -","- C75 N O P3 Ta Te10 -","- C150 N2 O2 P6 Ta2 Te20 -","2","1","FG1123","Flomer, W. A.; Kolis, J. W.; Pennington, W. T.","Tris(tetraphenylphosphonium) Decatelluriumtantalide Dimethylformamide (1/1), a Tetraphenylphosphonium Salt of TaTe~10~^3{-^}","Acta Crystallographica Section C","1996","52","10","2445","2448","10.1107/S0108270196005847","","","0.71073","MoKα","","","0.0598","","","0.0709","","","","","1.502","1.502","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005496","13.555","0.003","13.059","0.004","18.919","0.002","90","","107.58","0.01","90","","3192.5","1.3","293.2","","293.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H54 O Sr -","- C32 H54 O Sr -","- C128 H216 O4 Sr4 -","4","0.5","FG1143","Burkey, D. J.; Hanusa, T. P.","(Tetrahydrofuran-<i>O</i>)bis(η^5^-1,2,4-triisopropylcyclopentadienyl)strontium","Acta Crystallographica Section C","1996","52","10","2452","2454","10.1107/S0108270196007330","","","1.5418","CuKα","","","0.0328","","","0.042","","","","","1.58","1.58","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2005497","17.754","0.009","16.129","0.007","14.99","0.005","90","","103.33","0.03","90","","4177","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H37 Hf N5 O4 -","- C50 H37 Hf N5 O4 -","- C200 H148 Hf4 N20 O16 -","4","0.5","FG1145","Huhmann, J. L.; Rath, N. P.; Corey, J. Y.","(Tetraphenylporphyrinato)hafnium(IV) Diacetate Acetonitrile Solvate","Acta Crystallographica Section C","1996","52","10","2486","2488","10.1107/S0108270196007780","","","0.71073","MoKα","","0.1375","0.078","","0.1096","0.092","","","","1.376","1.527","1.527","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2005498","9.162","0.002","10.808","0.003","11.627","0.003","102.01","0.01","103.27","0.01","113.63","0.01","966.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aqua(2,2'-bipyridyl-N,N')(thiodiacetato-O,O',S)zinc(II) tetrahydrate","","- C14 H22 N2 O9 S Zn -","- C14 H22 N2 O9 S Zn -","- C28 H44 N4 O18 S2 Zn2 -","2","1","FG1160","Baggio, R.; Perec, M.; Garland, M. T.","Aqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiodiacetato-<i>O</i>,<i>O</i>',<i>S</i>)zinc(II) Tetrahydrate","Acta Crystallographica Section C","1996","52","10","2457","2460","10.1107/S0108270196007329","","","0.71073","MoKα","","0.0242","0.0221","","0.0583","0.0575","","","","1.036","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005499","8.1649","0.0009","8.6999","0.0013","8.9848","0.0011","90","","110.744","0.009","90","","596.85","0.14","288","2","288","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-di(2-propanone)-2,2'-biimidazole","","- C6 H7 N2 O -","- C12 H14 N4 O2 -","- C24 H28 N8 O4 -","2","0.5","FG1166","Secondo, P. M.; Barnett, W. M.; Collier, H. L.; Baughman, R. G.","1,1'-Diketone and 1,1'-Dinitrile Derivatives of 2,2'-Biimidazole","Acta Crystallographica Section C","1996","52","10","2636","2638","10.1107/S0108270196005823","","","0.71073","MoKα","","0.0521","0.0435","","0.1401","0.133","","","","1.146","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005500","7.1044","0.0009","5.259","0.0005","13.421","0.002","90","","99.646","0.01","90","","494.35","0.11","288","2","288","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1'-di(cyanomethyl)-2,2'-biimidazole","","- C5 H4 N3 -","- C10 H8 N6 -","- C20 H16 N12 -","2","0.5","FG1166","Secondo, P. M.; Barnett, W. M.; Collier, H. L.; Baughman, R. G.","1,1'-Diketone and 1,1'-Dinitrile Derivatives of 2,2'-Biimidazole","Acta Crystallographica Section C","1996","52","10","2636","2638","10.1107/S0108270196005823","","","0.71073","MoKα","","0.042","0.0367","","0.1034","0.0972","","","","1.058","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005501","11.3869","0.0003","12.6938","0.0004","12.8468","0.0004","62.04","0.001","74.175","0.001","63.795","0.001","1466.53","0.08","203","2","203","2","","","","","","","","6","P -1","-P 1","2","Monospiro(1,2-phenylenedioxy)tetrakis(parafluorophenoxy)cyclotriphosphazene","","","- C30 H20 F4 N3 O6 P3 -","- C30 H20 F4 N3 O6 P3 -","- C60 H40 F8 N6 O12 P6 -","2","1","FG1172","Vij, A.; Staples, R. J.; Kirchmeier, R. L.; Shreeve, J. M.","Monospiroaryloxyphosphazenes: <i>p</i>-Fluorophenoxy Derivatives Containing the 1,2-Phenylenedioxy and 2,3-Naphthalenedioxy Groups","Acta Crystallographica Section C","1996","52","10","2515","2520","10.1107/S0108270196005859","","","0.71073","MoKα","","0.0597","0.0454","","0.1157","0.1051","","","","1.037","1.046","1.046","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005502","8.1325","0.0001","26.5942","0.0003","29.8727","0.0005","90","","90","","90","","6460.79","0.15","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Monospiro(2,3-naphthalenedioxy)tetrakis(parafluorophenoxy)cyclotriphosphazene","","","- C34 H22 F4 N3 O6 P3 -","- C34 H22 F4 N3 O6 P3 -","- C272 H176 F32 N24 O48 P24 -","8","1","FG1172","Vij, A.; Staples, R. J.; Kirchmeier, R. L.; Shreeve, J. M.","Monospiroaryloxyphosphazenes: <i>p</i>-Fluorophenoxy Derivatives Containing the 1,2-Phenylenedioxy and 2,3-Naphthalenedioxy Groups","Acta Crystallographica Section C","1996","52","10","2515","2520","10.1107/S0108270196005859","","","0.71073","MoKα","","0.0777","0.0468","","0.1125","0.0818","","","","1.085","1.149","1.149","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005503","9.676","0.002","6.579","0.002","11.215","0.002","90","","90","","90","","713.9","0.3","213","2","213","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-Hydroxy-2-methyl-4H-pyran-4-on-4-ium Chloride","","- C6 H7 Cl O3 -","- C6 H7 Cl O3 -","- C24 H28 Cl4 O12 -","4","0.5","FG1175","Bilodeau, D.; Beauchamp, A. L.","Maltol Hydrochloride","Acta Crystallographica Section C","1996","52","10","2633","2636","10.1107/S0108270196005550","","","1.54056","CuKα","","0.0337","0.0267","","0.0713","0.0689","","","","0.973","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005504","12.846","0.002","13.608","0.002","11.146","0.001","90","","91.89","0.01","90","","1947.4","0.5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(E)-2-Acetylcinnamic Acid","(E)-2-acetyl-3-phenylpropenoic acid","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","FG1176","Coté, M. L.; Thompson, H. W.; Lalancette, R. A.; Williams, IV, J. A.","(<i>E</i>)-2-Acetylcinnamic Acid: Hydrogen-Bonding Pattern of an α,β-Unsaturated β'-Keto Acid","Acta Crystallographica Section C","1996","52","10","2612","2614","10.1107/S0108270196005860","","","0.71073","MoKα","","0.0803","0.0436","","0.1197","0.1081","","","","0.858","1.055","1.055","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005505","9.519","0.003","11.446","0.004","11.65","0.004","108.67","0.03","104.86","0.03","94.68","0.03","1143.6","0.7","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","Difluorobis(diphenylphosphino)methane disulfide","","- C25 H20 F2 P2 S2 -","- C25 H20 F2 P2 S2 -","- C50 H40 F4 P4 S4 -","2","1","FG1184","Jones, P. G.; Bembenek, E.","Derivatives of Bis(diphenylphosphino)difluoromethane: the Disulfide Ph~2~P(= S)CF~2~P(= S)Ph~2~ and the Bis[chlorogold(I)] Complex Ph~2~P(AuCl)CF~2~P(AuCl)Ph~2~","Acta Crystallographica Section C","1996","52","10","2396","2399","10.1107/S0108270196004404","","","0.71073","MoKα","","0.0562","0.0383","","0.105","0.0937","","","","1.021","1.064","1.064","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005506","12.998","0.004","13.719","0.003","13.873","0.003","90","","90","","90","","2473.8","1.1","178","2","178","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Difluorobis(diphenylphosphino)methane bis(chlorogold(I))","","- C25 H20 Au2 Cl2 F2 P2 -","- C25 H20 Au2 Cl2 F2 P2 -","- C100 H80 Au8 Cl8 F8 P8 -","4","1","FG1184","Jones, P. G.; Bembenek, E.","Derivatives of Bis(diphenylphosphino)difluoromethane: the Disulfide Ph~2~P(= S)CF~2~P(= S)Ph~2~ and the Bis[chlorogold(I)] Complex Ph~2~P(AuCl)CF~2~P(AuCl)Ph~2~","Acta Crystallographica Section C","1996","52","10","2396","2399","10.1107/S0108270196004404","","","0.71073","MoKα","","0.0598","0.0405","","0.0945","0.0864","","","","0.974","1.001","1.001","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005507","10.6814","0.0015","20.22","0.005","11.467","0.002","90","","90","","90","","2476.6","0.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Chlorotris-(p-methylsulphonylphenyl)Tin(IV)","","- C21 H21 Cl O6 S3 Sn -","- C21 H21 Cl O6 S3 Sn -","- C84 H84 Cl4 O24 S12 Sn4 -","4","1","FG1190","Wharf, I.; Lebuis, A.-M.; Lamparski, H.","Chlorotris(<i>p</i>-methylsulfonylphenyl)tin(IV)","Acta Crystallographica Section C","1996","52","10","2477","2480","10.1107/S0108270196007792","","","0.7093","MolybdenumKα","","0.075","0.0478","","0.0827","0.0755","","","","1.027","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005508","7.3431","0.0009","15.305","0.002","14.475","0.003","90","","97.25","0.02","90","","1613.8","0.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chlorobis(methylcyclopentadienyl)pentafluorophenyltitanium(IV)","","- C18 H14 Cl F5 Ti -","- C18 H14 Cl F5 Ti -","- C72 H56 Cl4 F20 Ti4 -","4","1","FG1195","Kienitz, C. O.; Thöne, C.; Jones, P. G.","Chlorobis(η^5^-methylcyclopentadienyl)(2,3,4,5,6-pentafluorophenyl)titanium(IV)","Acta Crystallographica Section C","1996","52","10","2402","2404","10.1107/S0108270196006981","","","0.71073","MoKα","","0.0468","0.0401","","0.1236","0.108","","","","1.068","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005509","9.657","0.004","10.749","0.003","10.996","0.003","90","","110.44","0.03","90","","1069.6","0.6","166","2","166","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-5-bis(ferrocenyl)naphthalene","","- C30 H24 Fe2 -","- C30 H24 Fe2 -","- C60 H48 Fe4 -","2","0.5","FG1200","McAdam, C. J.; Robinson, B. H.; Simpson, J.","1,5-Diferrocenylnaphthalene","Acta Crystallographica Section C","1996","52","10","2404","2406","10.1107/S0108270196007305","","","0.71073","MoKα","","0.0559","0.0382","","0.0892","0.0854","","","","0.901","1.025","1.025","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005510","8.1522","0.0012","8.891","0.0008","8.9605","0.0008","82.552","0.008","89.561","0.004","63.421","0.004","575","0.11","173","2","173","2","","","","","","","","6","P 1","P 1","1","","(cis-1,2-Dichlorovinyl)bis(dimethylglyoximato-N,N')(pyridine)cobalt(III) Chloroform Solvate","","- C16 H21 Cl5 Co N5 O4 -","- C16 H21 Cl5 Co N5 O4 -","- C16 H21 Cl5 Co N5 O4 -","1","1","FG1202","Jones, P. G.; Yang, L.; Steinborn, D.","(<i>cis</i>-1,2-Dichlorovinyl)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(pyridine-<i>N</i>)cobalt(III) Chloroform Solvate, [Co(dmgH)~2~(py)(CCl=CHCl)].CHCl~3~","Acta Crystallographica Section C","1996","52","10","2399","2402","10.1107/S0108270196007810","","","0.71073","MoKα","","0.0303","0.0291","","0.0752","0.0746","","","","1.053","1.063","1.063","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005511","12.013","0.002","10.61","0.002","15.634","0.003","90","","103.08","0.03","90","","1941","0.7","243","2","243","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(tert-butylthio)germanium-Imide trimer","","- C24 H57 Ge3 N3 S6 -","- C24 H57 Ge3 N3 S6 -","- C48 H114 Ge6 N6 S12 -","2","1","FG1205","George, C.; Purdy, A. P.","Bis(<i>tert</i>-butylthiolato-<i>S</i>)germanium–Imide Trimer","Acta Crystallographica Section C","1996","52","10","2489","2491","10.1107/S0108270196007822","","","1.54178","CuKα","","0.0582","0.0512","","0.132","0.1258","","","","1.038","1.043","1.043","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:27",""
"2005512","15.7353","0.002","15.7353","","5.2803","0.0017","90","","90","","90","","1307.4","0.5","","","298","","","","","","","","","3","I -4","I -4","82","","benzenecarboximidamide","","- C7 H8 N2 -","- C7 H8 N2 -","- C56 H64 N16 -","8","1","HA1142","Barker, J.; Phillips, P. R.; Wallbridge, M. G. H.; Powell, H. R.","Benzamidine","Acta Crystallographica Section C","1996","52","10","2617","2619","10.1107/S0108270196006282","","","1.5418","CuKα","","","0.034","","","0.029","","","","","0.957","0.957","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005513","10.552","0.001","24.993","0.0018","7.97","0.001","90","","90","","90","","2101.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","α-5-Adamantyl-4'-thio-2'-deoxyuridine methanol solvate","","- C20 H30 N2 O5 S -","- C20 H30 N2 O5 S -","- C80 H120 N8 O20 S4 -","4","1","HA1160","Sun, M.; Basnak, I.; Hamor, T. A.; Walker, R. T.","α-5-Adamantyl-4'-thio-2'-deoxyuridine Methanol Solvate","Acta Crystallographica Section C","1996","52","10","2556","2558","10.1107/S010827019600529X","","","0.71069","MoKα","","0.038","0.0345","","0.1049","0.0954","","","","1.049","0.963","0.963","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005514","7.495","0.001","12.18","0.001","13.75","0.001","90","","104.38","0.01","90","","1215.9","0.2","150","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","6-(4-Methoxyphenyl)thieno[2,3-d]-1,3-dithiole-2-thione","","- C12 H8 O S4 -","- C12 H8 O S4 -","- C48 H32 O4 S16 -","4","1","HA1162","Ozturk, T.; Wallis, J. D.","6-(4-Methoxyphenyl)thieno[2,3-<i>d</i>][1,3]dithiole-2-thione at 150K","Acta Crystallographica Section C","1996","52","10","2552","2554","10.1107/S0108270196005264","","","0.71069","MoKα","","0.0632","0.0551","","0.1312","0.1288","","","","1.011","1.098","1.098","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005515","4.6709","0.0002","14.9289","0.0007","9.0408","0.0009","90","","90.131","0.011","90","","630.43","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","l-Histidyl-l-alanine dihydrate","l-Histidyl-l-alanine dihydrate","","- C9 H18 N4 O5 -","- C9 H18 N4 O5 -","- C18 H36 N8 O10 -","2","1","HA1164","Steiner, Th.","<small>L</small>-Histidyl-<small>L</small>-alanine Dihydrate","Acta Crystallographica Section C","1996","52","10","2554","2556","10.1107/S0108270196006804","","","1.54176","CuKα","","0.0219","0.0204","","0.0564","0.0545","","","","1.072","1.077","1.077","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005516","10.516","0.003","12.855","0.004","11.623","0.002","90","","109.1","0.02","90","","1484.7","0.7","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Br N5 O2 -","- C11 H16 Br N5 O2 -","- C44 H64 Br4 N20 O8 -","4","1","HU1107","Janes, R. W.; Palmer, R. A.","3,5-Diamino-6-(2-bromophenyl)-1,2,4-triazine Dimethanol Solvate: an Analogue of Lamotrigine","Acta Crystallographica Section C","1996","52","10","2627","2629","10.1107/S010827019501300X","","","1.54178","CuKα","","","0.0496","","","0.0577","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005517","11.89","0.002","12.286","0.003","13.579","0.003","90","","94.32","0.02","90","","1978","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dicaesium ethyltrimethylammonium heptaphosphide-ammonia (1/2)","","- C5 H20 Cs2 N3 P7 -","- C5 H20 Cs2 N3 P7 -","- C20 H80 Cs8 N12 P28 -","4","1","JZ1122","Korber, N.; Daniels, J.","Dicaesium Ethyltrimethylammonium Heptaphosphide‒Ammonia (1/2)","Acta Crystallographica Section C","1996","52","10","2454","2457","10.1107/S0108270196005902","","","0.71073","MoKα","","0.0441","0.0408","","0.1073","0.1055","","","","1.199","1.221","1.221","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005518","10.51","0.001","10.438","0.001","19.012","0.002","90","","103.552","0.007","90","","2027.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1,2-bis(4-pyridyl)ethane)cadmium(II) Tetracyanonickelate(II) -m-Xylene","","- C44 H44 Cd N8 Ni -","- C44 H44 Cd N8 Ni -","- C88 H88 Cd2 N16 Ni2 -","2","0.5","KA1143","Güneş, B.; Soylu, H.; Özbey, S.; Tufan, Y.; Karacan, N.","Bis(1,2-di-4-pyridylethane-<i>N</i>:<i>N</i>')cadmium(II) Tetracyanonickelate(II) <i>m</i>-Xylene Solvate","Acta Crystallographica Section C","1996","52","10","2425","2427","10.1107/S0108270196005380","","","0.71073","MoKα","","","0.0542","","0.1189","","","","","1.495","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005519","9.003","0.002","11.142","0.003","7.568","0.002","90","","99.51","0.02","90","","748.7","0.3","293","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H12 Mn2 O16 -","- C8 H4 Mn2 O16 -","- C16 H8 Mn4 O32 -","2","1","KA1155","Ruiz-Pérez, C.; Hernández-Molina, M.; González-Silgo, C.; López, T.; Yanes, C.; Solans, X.","Polymeric (Aqua-1κ<i>O</i>)bis[(<i>R</i>,<i>R</i>)-tartrato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^3^,<i>O</i>^4^]dimanganese(II) Trihydrate","Acta Crystallographica Section C","1996","52","10","2473","2475","10.1107/S0108270196006427","","","0.71073","MoKα","","","0.068","","","0.2053","","","","","1.116","1.116","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005520","10.1646","0.0007","8.8048","0.0006","13.157","0.001","90","","96.327","0.006","90","","1170.34","0.14","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(n-propyl)-2-oxy-1-naphthaldimine","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","KA1185","Kaitner, B.; Pavlovic, G.","A Reinvestigation of the Quinoidal Effect in <i>N</i>-<i>n</i>-Propyl-2-oxo-1-naphthylidenemethylamine","Acta Crystallographica Section C","1996","52","10","2573","2575","10.1107/S0108270196005495","","","0.71073","MolybdenumKα","","","0.036","","","0.058","","","","","1.13","1.13","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005521","10.372","0.003","10.787","0.002","13.571","0.003","74.35","0.02","74.37","0.02","87.03","0.02","1407.7","0.6","292","","292","","","","","","","","","6","P -1","-P 1","2","","Tetrakis(creatinine)platinum(II) Dithiocyanate","","- C18 H28 N14 O4 Pt S2 -","- C18 H28 N14 O4 Pt S2 -","- C36 H56 N28 O8 Pt2 S4 -","2","1","KA1187","Macíček, J.; Gencheva, G.; Mitewa, M.","Tetrakis(creatinine)platinum(II) Dithiocyanate","Acta Crystallographica Section C","1996","52","10","2429","2432","10.1107/S0108270196007901","","","0.71073","MoKα","","0.06","0.034","","0.041","0.046","","","","2.285","0.884","0.884","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005522","10.604","0.005","13.327","0.003","32.664","0.009","90","","90","","90","","4616","3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11,12,4""-tri-O-methylazithromycin monohydrate","","- C41 H80 N2 O13 -","- C41 H80 N2 O13 -","- C164 H320 N8 O52 -","4","1","KA1189","Kamenar, B.; Košutić Hulita, N.; Vicković, I.; Kobrehel, G.; Lazarevski, G.","11,12,4''-Tri-<i>O</i>-methylazithromycin Monohydrate","Acta Crystallographica Section C","1996","52","10","2566","2568","10.1107/S0108270196005409","","","1.54178","CuKα","","0.1602","0.0624","","0.2176","0.1758","","","","0.952","1.316","1.316","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:27",""
"2005523","10.175","0.008","14.146","0.014","39.575","0.035","90","","90","","90","","5696","9","153","2","153","4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(bis(1,10-phenanthroline)cyanocopper(II) isothiocyanate) Phenanthroline Pentahemihydrate","","- C64 H51 Cu2 N14 O5.5 S2 -","- C64 H51 Cu2 N14 O5.5 S2 -","- C256 H204 Cu8 N56 O22 S8 -","4","1","KA1199","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.","Cyanobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Isothiocyanate–Phenanthroline–Water (2/1/5.5)","Acta Crystallographica Section C","1996","52","10","2406","2409","10.1107/S0108270196006993","","","0.71069","MoKα","","0.1001","0.0673","","0.2088","0.1635","","","","0.99","1.018","1.018","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005524","9.18","0.0009","7.344","0.0007","25.385","0.003","90","0.02","91.22","0.02","90","0.02","1711","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3-amidyl-3-metoxy-2-nitroso-acrylonitrile)-bipyridine- dicyanamidecopper(II)","","- C16 H12 Cu N8 O2 -","- C16 H12 Cu N8 O2 -","- C64 H48 Cu4 N32 O8 -","4","1","KA1203","Dunaj-Jurčo, M.; Mikloš, D.; Potočňák, I.; Jäger, L.","Addition of Methanol to Copper(II)-Coordinated Dicyanonitrosomethanide: (3-Amino-3-methoxy-2-nitrosoacrylonitrilato-<i>N</i>^2^,<i>N</i>^3^)(bipyridine-<i>N</i>,<i>N</i>')(dicyanamido-<i>N</i>)copper(II)","Acta Crystallographica Section C","1996","52","10","2409","2412","10.1107/S0108270196009766","","","0.71069","MoKα","","0.1176","0.0436","","0.1078","0.0905","","","","0.929","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005525","21.094","0.004","10.022","0.003","17.293","0.004","90","","90.18","0.02","90","","3655.8","1.5","293","1","293","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,2-[3,4-Dihydro-2-(5-methoxyphenyl)-2H-pyrrolo)[60]fullerene","","- C70 H9 N O S2 -","- C70 H9 N O S2 -","- C280 H36 N4 O4 S8 -","4","1","KA1208","Ramm, M.; Luger, P.; Averdung, J.; Mattay, J.","1,2-[3,4-Dihydro-2-(4-methoxyphenyl)-2<i>H</i>-pyrrolo][60]fullerene Carbon Disulfide","Acta Crystallographica Section C","1996","52","10","2590","2594","10.1107/S0108270196009742","","","1.54178","CuKα","","0.1","0.0451","","0.1211","0.1094","","","","0.881","1.116","1.116","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005526","12.909","0.003","8.174","0.002","11.302","0.002","90","","94.82","0.03","90","","1188.3","0.5","296","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Cl4 -","- C12 H6 Cl4 -","- C48 H24 Cl16 -","4","0.5","KH1067","Miao, X.-S.; Chu, S.-G.; Xu, X.-B.; Jin, X.-L.","2,2',5,5'-Tetrachlorobiphenyl (PCB 52)","Acta Crystallographica Section C","1996","52","10","2582","2583","10.1107/S0108270196006555","","","0.71073","MoKα","","","0.077","","","0.094","","","","","0.97","0.97","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005527","9.324","0.003","16.59","0.005","18.978","0.002","90","","90.39","0.02","90","","2935.5","1.3","293","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-chloro-μ-hydroxybis{dichloro bis(tetrahydrofuran)vanadium(III)} tetrahydrofuran solvate","","- C20 H41 Cl5 O6 V2 -","- C20 H41 Cl5 O6 V2 -","- C80 H164 Cl20 O24 V8 -","4","1","KH1082","M. Kondo; T. Ohrui; S. Kawata; S. Kitagawa","A Divanadium(III) Complex Bridged by Cl^{-^} and OH^{-^} Anions","Acta Crystallographica Section C","1996","52","10","2448","2450","10.1107/S0108270196006543","","","0.7107","MoKα","","","0.047","","","0.032","","","","","1.8","1.8","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2005528","10.387","0.007","10.63","0.01","8.016","0.008","111.76","0.08","103.34","0.07","104.2","0.07","744.3","1.4","293","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Mo2 O14 P2 -","- C24 H32 Mo2 O14 P2 -","- C24 H32 Mo2 O14 P2 -","1","0.5","KH1083","Qiu, P.; Guo, G.; Huang, X.","A Methoxycarbonyl-Substituted Cyclopentadienyl‒Dicarbonyl‒Trimethylphosphite‒Molybdenum Complex Dimer, [Mo(η^5^-MeO~2~C~2~Cp){P(OMe)~3~}(CO)~2~]~2~","Acta Crystallographica Section C","1996","52","10","2484","2486","10.1107/S0108270196007275","","","0.71073","MoKα","","","0.05","","","0.054","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005529","6.271","0.001","6.376","0.001","8.169","0.001","96.45","0.01","103.86","0.01","103.87","0.01","302.84","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- As2 Ga K O7 -","- As2 Ga K O7 -","- As4 Ga2 K2 O14 -","2","1","KH1086","Lin, K.-J.; Lii, K.-H.","KGaAs~2~O~7~","Acta Crystallographica Section C","1996","52","10","2387","2389","10.1107/S0108270196005112","","","0.71069","MolybdenumKα","","0.037","0.033","","0.041","0.041","","","","","2.43","2.43","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005530","6.663","0.002","6.861","0.003","15.721","0.002","93.16","0.03","94.31","0.02","111.13","0.03","665.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-tetraaquobis(tricyanomelamine)cobalt(II) hexahydrate","","- C12 H24 Co N18 O10 -","- C12 H24 Co N18 O10 -","- C12 H24 Co N18 O10 -","1","0.5","KH1099","Abrahams, B. F.; Egan, S. J.; Hoskins, B. F.; Robson, R.","<i>trans</i>-Tetraaquabis(<i>N</i>,<i>N</i>',<i>N</i>''-tricyanomelamine)cobalt(II) Hexahydrate","Acta Crystallographica Section C","1996","52","10","2427","2429","10.1107/S0108270196006488","","","1.5418","CuKα","","0.0357","0.0355","","0.1006","0.1004","","","","1.084","1.085","1.085","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005531","10.598","0.002","9.184","0.002","16.683","0.003","90","0.01","108.39","0.02","90","0.01","1540.9","0.6","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(±)-3-formyl-1-methyl-2-(2-phenylethyl)Cyclohex-2-enecarboxylic acid","","- C17 H20 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","LI1144","Ghosh, S.; Mostafa, G.; Mukherjee, M.; Pal, S.; Mukherjee, A. K.","(±)-3-Formyl-1-methyl-2-(2-phenylethyl)cyclohex-2-enecarboxylic Acid: an Investigation of Disorder","Acta Crystallographica Section C","1996","52","10","2507","2510","10.1107/S0108270196005586","","","1.5418","CuKα","","0.1535","0.1052","","0.4178","0.2897","","","","1.197","1.119","1.119","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005532","11.353","0.001","9.586","0.001","14.095","0.001","90","0.01","97.36","0.01","90","0.01","1521.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Methoxy-2-(4,4-dimethyl-2-oxo-butan-1-ol)-1-naphthoic-acid-lactone","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","LI1147","Nayak, N. P.; Mukherjee, A. K.; Mukherjee, M.","2-(1-Hydroxy-4,4-dimethyl-2-oxobutyl)-4-methoxy-1-naphtholactone","Acta Crystallographica Section C","1996","52","10","2510","2512","10.1107/S0108270196005574","","","0.7093","MoKα","","0.0578","0.0466","","0.1273","0.1201","","","","1.038","1.117","1.117","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005533","6.124","0.002","8.407","0.003","10.277","0.003","90","","90","0.03","90","","529.1","0.3","291","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H16 O3 -","- C10 H16 O3 -","- C20 H32 O6 -","2","1","NA1217","Majzner, W. R.; Wieczorek, M. W.; Błaszczyk, J.; Kula, J.; Sikora, M.","(<i>S</i>)-(+)-Homoterpenyl Methyl Ketone","Acta Crystallographica Section C","1996","52","10","2629","2631","10.1107/S0108270196005549","","","1.54184","CuKα","","","0.042","","","0.0487","","","","","1.3698","1.3698","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:27",""
"2005534","6.08","0.002","13.552","0.004","13.882","0.007","90","","96.62","0.02","90","","1136.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dihydrodipentalenyliron","Dihydrodipentalenyliron","","- C16 H14 Fe -","- C14.925 H13.058 Fe -","- C59.7 H52.232 Fe4 -","4","1","NA1230","Molins, E.; Maniukiewicz, W.; Miravitlles, C.; Mas, M.; Manriquez, J. M.; Chávez, I.; Oelckers, B.; Farran, J.; Briansó, J. L.","Bis(η^5^-hydropentalenyl)iron","Acta Crystallographica Section C","1996","52","10","2414","2416","10.1107/S0108270196005872","","","0.70926","MoKα","","0.0498","0.0303","","0.0908","0.081","","","","0.968","1.005","1.005","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005535","8.127","0.001","6.985","0.001","9.306","0.002","90","","97.2","0.01","90","","524.11","0.15","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1-Fluoromethyl-1-methyl-1H,3H-thiazolo[3,4-a]benzimidazole","","- C11 H11 F N2 S -","- C11 H11 F N2 S -","- C22 H22 F2 N4 S2 -","2","0.5","NA1235","Bruno, G.; Chimirri, A.; Monforte, A. M.; Nicoló, F.; Scopelliti, R.","1-Fluoromethyl-1-methyl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","1996","52","10","2531","2533","10.1107/S0108270196006026","","","0.71073","MoKα","","0.0369","0.0321","","0.0894","0.0844","","","","1.09","1.09","1.09","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005536","12.314","0.001","12.425","0.001","14.855","0.005","90","","90","","90","","2272.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-N-Benzyl-N-[(N-tert-butoxycarbonyl-2,2-dimethyloxazol-4-yl)- (furan-2-yl)methyl]hydroxylamine","","- C22 H30 N2 O5 -","- C22 H30 N2 O5 -","- C88 H120 N8 O20 -","4","1","NA1237","Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A.","Chiral Hydroxylamines. II. (1<i>R</i>,2<i>R</i>)-<i>N</i>-Benzyl-<i>N</i>-[(3-<i>tert</i>-butoxycarbonyl-2,2-dimethyloxazol-4-yl)(furan-2-yl)methyl]hydroxylamine","Acta Crystallographica Section C","1996","52","10","2536","2538","10.1107/S0108270196005185","","","0.71073","MoKα","","0.0387","0.0375","","0.1049","0.103","","","","1.045","1.05","1.05","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005537","7.016","0.002","13.603","0.002","11.551","0.002","90","","107.16","0.01","90","","1053.3","0.4","292","","292","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetrakis(Thiourea)cadmium perrhenate","","- C4 H16 Cd N8 O8 Re2 S4 -","- C4 H16 Cd N8 O8 Re2 S4 -","- C8 H32 Cd2 N16 O16 Re4 S8 -","2","0.5","NA1239","Petrova, R.; Angelova, O.; Bakardjieva, S.; Macícek, J.","Molecular Adducts of Inorganic Salts. VII. Cd(ReO~4~)~2~.4tu (tu = Thiourea)","Acta Crystallographica Section C","1996","52","10","2432","2434","10.1107/S0108270196007093","","","0.71073","MoKα","","0.031","0.024","","0.035","0.032","","","","0.946","0.898","0.898","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005538","8.281","0.002","20.914","0.004","9.549","0.002","90","","97.46","0.02","90","","1639.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3,5-Ditrifluoromethylphenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C17 H10 F6 N2 S -","- C17 H10 F6 N2 S -","- C68 H40 F24 N8 S4 -","4","1","NA1245","Bruno, G.; Monforte, A. M.; Nicoló, F.; Scopelliti, R.; Zappalá, M.","1-[3,5-Bis(trifluoromethyl)phenyl]-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","1996","52","10","2533","2535","10.1107/S0108270196006476","","","0.71073","MoKα","","0.0615","0.0377","","0.086","0.0703","","","","0.964","0.964","0.964","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005539","8.707","0.001","9.313","0.001","19.869","0.001","90","","90","","90","","1611.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2S)-2-Benzamido-2-methoxycarbonylcyclohexan-5-one-1-carboxylic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","NA1251","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A New Conformationally Restricted Aspartic Acid Analogue with a Cyclohexanone Skeleton","Acta Crystallographica Section C","1996","52","10","2641","2644","10.1107/S0108270196008712","","","0.71069","MoKα","","0.0346","0.0321","","0.0871","0.0848","","","","1.063","1.072","1.072","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005540","11.344","0.002","11.344","0.002","4.75","0.002","90","","90","","120","","529.4","0.3","293","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","","","- Ge4 O9 Sr -","- Ge4 O9 Sr -","- Ge12 O27 Sr3 -","3","0.5","OH1096","Nishi, F.","Strontium Tetragermanate, SrGe~4~O~9~","Acta Crystallographica Section C","1996","52","10","2393","2395","10.1107/S0108270196006737","","","0.71073","MoKα","","","0.049","","","0.052","","","","","1.35","1.35","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005541","5.5464","0.00013","10.472","0.0003","3.87959","0.00008","90","","90","","90","","225.334","0.01","296","","296","","","","","","","","","3","P b a m","-P 2 2ab","55","","dicopper(II) lanthanum cuprate","","- Cu2 La2 O5 -","- Cu2 La2 O5 -","- Cu4 La4 O10 -","2","0.25","OH1097","Khasanova, N. R.; Izumi, F.; Hiroi, Z.; Takano, M.; Huang, Q.; Santoro, A.","Redetermination of the Structure of La~2~Cu~2~O~5~ by Neutron Powder Diffraction","Acta Crystallographica Section C","1996","52","10","2381","2384","10.1107/S0108270196006646","","neutron","1.5396","neutron","","0.0171","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005542","5.53528","0.00014","10.449","0.0003","3.87265","0.00008","90","","90","","90","","223.987","0.01","10","","10","","","","","","","","","3","P b a m","-P 2 2ab","55","","dicopper(II) lanthanum cuprate","","- Cu2 La2 O5 -","- Cu2 La2 O5 -","- Cu4 La4 O10 -","2","0.25","OH1097","Khasanova, N. R.; Izumi, F.; Hiroi, Z.; Takano, M.; Huang, Q.; Santoro, A.","Redetermination of the Structure of La~2~Cu~2~O~5~ by Neutron Powder Diffraction","Acta Crystallographica Section C","1996","52","10","2381","2384","10.1107/S0108270196006646","","neutron","1.5396","neutron","","0.0263","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005543","11.23","0.03","9.66","0.03","8.89","0.03","90","","98.2","0.03","90","","955","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(pentafluoro-phenyl)-trifluoro-acetamide","","- C8 H F8 N O -","- C8 H F8 N O -","- C32 H4 F32 N4 O4 -","4","1","PA1226","Mahoui, A.; Lapasset, J.; Moret, J.","α,α,α,2,3,4,5,6-Octafluoroacetanilide","Acta Crystallographica Section C","1996","52","10","2583","2585","10.1107/S0108270196005689","","","1.5418","CuKα","","0.0561","0.0476","","0.1234","0.1205","","","","1.078","1.11","1.11","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005544","7.948","0.005","10.902","0.002","8.22","0.005","90","","106.43","0.03","90","","683.2","0.6","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2α,3α,7β,8β-diépoxy-trans-himachalane","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","PA1232","Chiaroni, A.; Riche, C.; Benharref, A.; El Jamili, H.; Lassaba, E.","2α,3α:7β,8β-Diépoxy-<i>trans</i>-himachalane","Acta Crystallographica Section C","1996","52","10","2502","2504","10.1107/S0108270196005768","","","1.5418","CuKα","","","0.058","","","0.065","","","","","0.6","0.6","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005545","8.537","0.002","8.221","0.002","10.364","0.002","90","","104.31","0.02","90","","704.8","0.3","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2α ,3α ,6α ,7α-diépoxyhimachalane","","- C15 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","PA1235","Chiaroni, A.; Riche, C.; Benharref, A.; Lassaba, E.; Baouid, A.","2α,3α:6α,7α-Diépoxyhimachalane","Acta Crystallographica Section C","1996","52","10","2504","2507","10.1107/S0108270196005756","","","1.5418","CuKα","","","0.059","","","0.07","","","","","0.59","0.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005546","10.566","0.001","7.88","0.001","11.572","0.001","90","","99.18","0.01","90","","951.15","0.17","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","2,4,6-triphenyl pyran-3,5-dicarboxaldehyde","","- C25 H18 O3 -","- C25 H18 O3 -","- C50 H36 O6 -","2","1","PA1236","Selladurai, S.; Murugesan, R.; Subramanian, K.; Chen, Y. S.; Rao, S. N.; Holt, E. M.","2,4,6-Triphenyl-4<i>H</i>-pyran-3,5-dicarboxaldehyde","Acta Crystallographica Section C","1996","52","10","2599","2601","10.1107/S0108270196006798","","","0.71073","MoKα","","","0.0377","","","0.0446","","","","","1.1","1.1","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005547","5.8088","0.0003","17.976","0.002","18.213","0.002","90","","90","","90","","1901.8","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9β-tert-butoxy-4(E)-ethylidene-8β-methyl-5-oxobicyclo[6.3.0]undean-2β- carboxylic Acid Methyl Ester","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","SK1014","Mague, J. T.; Li, C.-J.; Chen, D.-L.; Lu, Y.-Q.; Haberman, J. X.","Product of a Novel Carbocyclic Enlargement in Aqueous Media: 9β-<i>tert</i>-Butoxy-4-(<i>E</i>)-ethylidene-8β-methyl-5-oxobicyclo[6.3.0]undecan-2β-carboxylic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","10","2597","2599","10.1107/S0108270196006270","","","0.71073","MoKα,graphitemonochromated","","0.076","0.043","","","0.06","","","","","2.006","2.006","","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2005548","9.973","0.001","10.741","0.001","27.527","0.003","90","","90","","90","","2948.7","0.5","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2aS,3S,6S,7S,7bR)-2-oxo-6-[(1R,2S)-2-phenylcyclohexyloxy]-8- [(dimethylphenyl)silyl]-2a,3,6,7,7a,7b-hexahydro-2H-1,4,5-trioxa-4a- azacyclopenta[cd]indene-3-carboxylic Acid 1-Methylethyl Ester","","- C31 H39 N O7 Si -","- C31 H39 N O7 Si -","- C124 H156 N4 O28 Si4 -","4","1","SK1015","Thorarensen, A.; Swiss, K. A.; Denmark, S. E.","(2a<i>S</i>,3<i>S</i>,6<i>S</i>,7<i>S</i>,7b<i>R</i>)-7-[(Dimethylphenyl)silyl]-2-oxo-6-[(1<i>R</i>,2<i>S</i>)-2-phenylcyclohexyloxy]-2a,3,6,7,7a,7b-hexahydro-2<i>H</i>-1,4,5-trioxa-4a-azacyclopenta[<i>cd</i>]indene-3-carboxylic Acid 1-Methylethyl Ester","Acta Crystallographica Section C","1996","52","10","2558","2561","10.1107/S0108270196005434","","","0.71073","MoKα","","0.1905","0.0905","","0.1653","0.1245","","","","1.116","1.236","1.236","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005549","16.68","0.001","8.886","0.001","8.054","0.001","90","","90","","90","","1193.8","0.2","200","2","200","2","","","","","","","","3","P b c n","-P 2n 2ab","60","diethyl 2,5-dihydroxyterephthalate","","","- C12 H14 O6 -","- C12 H14 O6 -","- C48 H56 O24 -","4","0.5","SK1017","Näther, C.; Bock, H.; Seitz, W.; Nagel, N.","Diethyl 2,5-Dihydroxyterephthalate at 200K","Acta Crystallographica Section C","1996","52","10","2631","2633","10.1107/S0108270196005306","","","0.71073","MoKα","","0.0575","0.0377","","0.1185","0.1066","","","","1.04","1.097","1.097","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005550","7.912","0.004","10.307","0.005","11.533","0.009","69.09","0.04","87.72","0.03","84.06","0.06","873.8","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,2'-Bipyridinium salt of benzene-1,2,4,5-tetracarboxylic acid","","- C20 H14 N2 O8 -","- C20 H14 N2 O8 -","- C40 H28 N4 O16 -","2","1","SK1020","Mrvos-Sermek, D.; Popovic, Z.; Matkovic-Calogovic, D.","Hydrogen Bonding in the 2,2'-Bipyridinium Salt of 1,2,4,5-Benzenetetracarboxylic Acid (Pyromellitic Acid)","Acta Crystallographica Section C","1996","52","10","2538","2541","10.1107/S0108270196003940","","","0.71073","MoKα","","0.0993","0.0434","","0.125","0.1032","","","","1.008","1.14","1.14","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005551","7.135","0.001","8.338","0.002","10.089","0.002","80.53","0.03","71.16","0.03","67.56","0.03","524.5","0.2","293","2","153","1","","","","","","","","5","P -1","-P 1","2","","Tetraaqua(orotato)magnesium(II) Hydrate","","- C5 H12 Mg N2 O9 -","- C5 H12 Mg N2 O9 -","- C10 H24 Mg2 N4 O18 -","2","1","SK1023","Mutikainen, I.; Hämäläinen, R.; Klinga, M.; Orama, O.; Turpeinen, U.","Triclinic Form of Tetraaqua(orotato-<i>N</i>,<i>O</i>)magnesium(II) Hydrate at 153K","Acta Crystallographica Section C","1996","52","10","2480","2482","10.1107/S0108270196006567","","","0.71073","MoKα","","0.0334","0.0328","","0.0859","0.0855","","","","1.06","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005552","11.852","0.004","15.559","0.003","11.254","0.004","98.3","0.02","115.7","0.03","89.4","0.02","1847.3","1.1","150","2","150","","","","","","","","","4","P -1","-P 1","2","","diethylgallium","","- C44 H46 Ga2 O2 -","- C44 H46 Ga2 O2 -","- C88 H92 Ga4 O4 -","2","1","SK1027","Webster, M.; Browning, D. J.; Corker, J. M.","Bis[(μ-2,6-diphenylphenoxido-<i>O</i>:<i>O</i>)diethylgallium]","Acta Crystallographica Section C","1996","52","10","2439","2441","10.1107/S010827019600755X","","","0.71069","MoKα","","0.0409","0.0313","","0.091","0.0844","","","","0.985","1.002","1.002","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005553","8.7043","0.001","14.988","0.002","5.5288","0.0006","93.431","0.011","99.22","0.009","100.388","0.01","697.37","0.15","150","2","150","","","","","","","","","4","P -1","-P 1","2","","Bis(1,2-bis(n-butylthioethylene)-1,2-dithiolato-S,S')-nickel","","- C20 H36 Ni S8 -","- C20 H36 Ni S8 -","- C20 H36 Ni S8 -","1","0.5","SK1028","Charlton, A.; Kilburn, J. D.; Underhill, A. E.; Webster, M.","A Second Triclinic Polymorph of Bis[1,2-bis(<i>n</i>-butylthio)ethylene-1,2-dithiolato-<i>S</i>,<i>S</i>']nickel","Acta Crystallographica Section C","1996","52","10","2441","2442","10.1107/S010827019600769X","","","0.71069","MoKα","","0.0578","0.0343","","0.1047","0.089","","","","1.067","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005554","20.753","0.007","4.017","0.001","17.476","0.003","90","","93.25","0.02","90","","1454.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","furylbenzothiazol","3,4-bis-(2-benzothiazolyl)furan","","- C18 H10 N2 O S2 -","- C18 H10 N2 O S2 -","- C72 H40 N8 O4 S8 -","4","1","SK1029","Mrvos-Sermek, D.; Tralic-Kulenovic, V.; Nagl, A.; Fiser-Jakic, L.","3,4-Bis(1,3-benzothiazol-2-yl)furan","Acta Crystallographica Section C","1996","52","10","2541","2543","10.1107/S0108270196005446","","","0.7107","MoKα","","0.0448","0.044","","0.1088","0.1079","","","","1.036","1.036","1.036","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005555","18.616","0.003","18.616","0.003","7.448","0.001","90","","90","","90","","2581.1","0.7","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","tetrakis(N-methylimdazole)zinc(II) perchlorate","","- C16 H24 Cl2 N8 O8 Zn -","- C16 H24 Cl2 N8 O8 Zn -","- C64 H96 Cl8 N32 O32 Zn4 -","4","0.25","SK1031","Chen, X.-M.; Huang, X.-C.; Xu, Z.-T.; Huang, X.-Y.","Tetrakis(1-methylimidazole-<i>N</i>^3^)zinc(II) Diperchlorate","Acta Crystallographica Section C","1996","52","10","2482","2484","10.1107/S0108270196007706","","","0.71069","MoKα","","0.0587","0.0534","","0.1509","0.1454","","","","1.112","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005556","10.388","0.002","16.781","0.007","11.234","0.002","90","","115.6","0.02","90","","1766.1","0.9","138","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H30 O2 Te6 Ti6 -","- C30 H30 O2 Te6 Ti6 -","- C60 H60 O4 Te12 Ti12 -","2","0.5","SZ1028","Gindelberger, D. E.","[(CpTi)~6~(μ~3~-Te)~6~(μ~3~-O)~2~]","Acta Crystallographica Section C","1996","52","10","2493","2495","10.1107/S0108270196004854","","","0.71073","MoKα","","","0.0318","","","0.0373","","","","","1.543","1.543","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005557","7.1195","0.0006","9.5287","0.0008","12.3059","0.0008","82.08","0.007","75.48","0.006","76.48","0.007","782.98","0.11","295","","295","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H6 O3 -","- C10 H6 O3 -","- C40 H24 O12 -","4","2","AB1365","Dekkers, J.; Kooijman, H.; Kroon, J.; Grech, E.","2-Hydroxy-1,4-naphthoquinone","Acta Crystallographica Section C","1996","52","11","2896","2899","10.1107/S0108270196007664","","","0.71073","MoKα","","","0.0424","","0.1258","0.1258","","","","1.072","1.072","1.072","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005558","39.326","0.005","5.988","0.001","15.109","0.003","90","","92.21","0.01","90","","3555.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N2 Ni O S -","- C22 H16 N2 Ni O S -","- C176 H128 N16 Ni8 O8 S8 -","8","1","AB1375","Elerman, Y.; Svoboda, I.","[<i>N</i>-(2-Mercaptophenyl)-2-hydroxynaphthaldiminato](pyridine)nickel(II)","Acta Crystallographica Section C","1996","52","11","2705","2707","10.1107/S0108270196008281","","","0.71069","MoKα","","0.043","0.026","","0.07","0.064","","","","1.029","1.062","1.062","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005559","13.907","0.001","14.476","0.001","17.174","0.001","80.993","0.005","87.729","0.004","74.382","0.005","3288.7","0.4","298","","","","","","","","","","","3","P -1","-P 1","2","","","","- C74 H72 S8 -","- C74 H72 S8 -","- C148 H144 S16 -","2","1","AB1379","Downing, G. A.; MacNicol, D. D.; Mallinson, P. R.; Milligan, P. K.","Octakis(3,5-dimethylphenylthio)naphthalene","Acta Crystallographica Section C","1996","52","11","2887","2889","10.1107/S0108270196007299","","","0.71069","MoKα","","","0.042","","","0.063","","","","","0.67","0.67","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005560","8.304","0.003","11.163","0.005","11.802","0.006","102.08","0.03","98.93","0.03","109.48","0.02","978","0.8","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","3-(di-isopropylamino)prop-2-enal","","- C9 H17 N O -","- C9 H15.588 N O -","- C36 H62.352 N4 O4 -","4","2","AB1382","Blake, A. J.; McNab, H.; Monahan, L. C.; Parsons, S.; Stevenson, E.","Two C-Unsubstituted Enaminals","Acta Crystallographica Section C","1996","52","11","2814","2818","10.1107/S0108270196007020","","","0.71073","MoKα","","0.0897","0.0638","","0.1844","0.1598","","","","0.984","1.021","1.021","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005561","8.3438","0.0008","14.8912","0.0015","15.5405","0.0013","90","","90","","90","","1930.9","0.3","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-[N-(1,2,3,4-tetrahydroquinolinyl)]prop-2-enal","","- C12 H13 N O -","- C12 H13 N O -","- C96 H104 N8 O8 -","8","1","AB1382","Blake, A. J.; McNab, H.; Monahan, L. C.; Parsons, S.; Stevenson, E.","Two C-Unsubstituted Enaminals","Acta Crystallographica Section C","1996","52","11","2814","2818","10.1107/S0108270196007020","","","0.71073","MoKα","","0.0584","0.0345","","0.1229","0.0773","","","","1.034","1.068","1.068","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005562","12.274","0.001","8.086","0.001","19.097","0.002","90","","108.24","0.01","90","","1800.1","0.3","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","AB1385","Özbey, S.; Temel, A.; Tunouglu, N.; Uludaug, N.","Diethyl 3-Piperidino-2,7-cycloheptadiene-1,2-dicarboxylate","Acta Crystallographica Section C","1996","52","11","2890","2891","10.1107/S0108270196008189","","","0.71073","MoKα","","","0.0425","","","0.0433","","","","","1.22","1.22","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005563","12.175","0.002","3.845","0.002","22.715","0.001","90","","92.37","0.04","90","","1062.4","0.6","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cl2 Cu2 N2 O4 -","- C22 H20 Cl2 Cu2 N2 O4 -","- C44 H40 Cl4 Cu4 N4 O8 -","2","0.5","AB1386","Tahir, M. N.; Ülkü, D.; Atakol, O.; Akay, A.","Bis[4-(5-chloro-2-hydroxyphenylimino-<i>N</i>,<i>O</i>:<i>O</i>)-2-penten-2-olato(2–)-<i>O</i>]dicopper(II)","Acta Crystallographica Section C","1996","52","11","2676","2678","10.1107/S0108270196008529","","","0.71073","MoKα","","","0.049","","","0.052","","","","","1.35","1.35","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005564","8.021","0.002","16.864","0.003","8.311","0.002","90","","90","","90","","1124.2","0.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","catena-((μ~2~-succinato)(diethylenetriamine)copper(II))","","- C8 H17 Cu N3 O4 -","- C8 H17 Cu N3 O4 -","- C32 H68 Cu4 N12 O16 -","4","0.5","AB1387","Pajunen, A.; Pajunen, S.; Kivikoski, J.; Valkonen, J.","<i>catena</i>-Poly[[(diethylenetriamine-<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)]-μ-succinato-<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","1996","52","11","2689","2691","10.1107/S0108270196008505","","","0.71069","MoKα","","0.0414","0.0279","","0.089","0.0685","","","","1.163","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005565","26.542","0.004","10.089","0.001","20.922","0.003","90","","133.07","0.02","90","","4092.8","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9-(2-Nitrophenyl)-3,3',6,6'-tetramethylhexahydroacridin-1,8-dione","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C184 H208 N16 O32 -","8","1","AB1390","Brito-Arias, M.; Ramirez, G.; Rivas, R. E.; Molins, E.; Maniukiewicz, W.","3,3,6,6-Tetramethyl-9-(2-nitrophenyl)-3,4,5,6,9,10-hexahydroacridine-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section C","1996","52","11","2811","2814","10.1107/S0108270196008530","","","0.71069","MoKα","","0.1022","0.0625","","0.2188","0.1722","","","","0.996","1.07","1.07","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005566","11.568","0.002","13.156","0.003","15.387","0.005","78.54","0.03","80.39","0.02","81.39","0.02","2246.3","1","294","1","294","1","","","","","","","","6","P -1","-P 1","2","","3-Chloro-3,3-bis(triphenylphosphine)-1,2-dicarba-3-rhoda-closo-dodecaborane 1.1(dichloromethane) solvate","","- C39.1 H43.2 B9 Cl3.2 P2 Rh -","- C38 H41 B9 Cl P2 Rh -","- C76 H82 B18 Cl2 P4 Rh2 -","2","1","AB1408","Ferguson, G.; McEneaney, P. A.; Spalding, T. R.","3-Chloro-3,3-bis(triphenylphosphine-<i>P</i>)-1,2-dicarba-3-rhoda-<i>closo</i>-dodecaborane‒ Dichloromethane (1/1.1)","Acta Crystallographica Section C","1996","52","11","2710","2713","10.1107/S010827019600950X","","","0.7107","MolybdenumKα","","0.1458","0.061","","0.1364","0.1219","","","","0.852","1.193","1.193","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005567","6.222","0.002","9.778","0.002","5.966","0.002","102.83","0.02","108.44","0.02","96.57","0.02","328.97","0.18","291","","291","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 F4 O4 -","- C12 H16 F4 O4 -","- C12 H16 F4 O4 -","1","0.5","BK1152","Swenson, D. C.; Davis, C. R.; Burton, D. J.","Three 1,4-<i>trans</i>-Substituted Cyclohexanes","Acta Crystallographica Section C","1996","52","11","2844","2847","10.1107/S0108270196008104","","","0.71073","MoKα","","0","0.039","","","0.046","","","","","1.052","1.052","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005568","8.807","0.003","11.447","0.003","10.644","0.003","90","","98.54","0.03","90","","1061.2","0.6","291","","291","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C10 H14 F6 -","- C10 H14 F6 -","- C20 H28 F12 -","2","0.5","BK1152","Swenson, D. C.; Davis, C. R.; Burton, D. J.","Three 1,4-<i>trans</i>-Substituted Cyclohexanes","Acta Crystallographica Section C","1996","52","11","2844","2847","10.1107/S0108270196008104","","","0.71073","MoKα","","","0.038","","","0.049","","","","","1.088","1.088","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005569","6.808","0.001","10.747","0.002","7.929","0.001","90","","102.4","0.01","90","","566.6","0.15","291","","291","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 F8 -","- C10 H12 F8 -","- C20 H24 F16 -","2","0.5","BK1152","Swenson, D. C.; Davis, C. R.; Burton, D. J.","Three 1,4-<i>trans</i>-Substituted Cyclohexanes","Acta Crystallographica Section C","1996","52","11","2844","2847","10.1107/S0108270196008104","","","0.71073","MoKα","","","0.034","","","0.044","","","","","1.008","1.008","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005570","21.803","0.002","12.319","0.002","7.898","0.002","90","0.02","92.11","0.02","90","0.02","2119.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","praseodymium(III)tris(2,6-difluorobenzoate)monohydrate","catena-poly[aquapraseodymium(III)-μ2$-2,6-difluorobenzoato-O,O'- μ2$-2,6-difluorobenzoato-Prκ2$O,O',Pr'κO-μ2$-2,6-difluoro benzoato-PrκO,O',Pr''kappaO]","","- C21 H11 F6 O7 Pr -","- C21 H11 F6 O7 Pr -","- C84 H44 F24 O28 Pr4 -","4","1","BK1180","Karipides, A. G.; Jai-nhuknan, J.; Cantrell, J. S.","Aquatris(2,6-difluorobenzoato)praseodymium(III)","Acta Crystallographica Section C","1996","52","11","2740","2742","10.1107/S0108270196008852","","","0.71069","MoKα","","0.0391","0.0316","","0.0834","0.0757","","","","1.148","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005571","9.962","0.002","11.4","0.003","11.897","0.002","83.93","0.02","87.19","0.02","86.95","0.02","1340.3","0.5","294","","294","","","","","","","","","4","P -1","-P 1","2","","Tris(2-(2-methoxyethoxy)phenyl)phosphine oxide monohydrate","","- C27 H35 O8 P -","- C29 H40 O9 P -","- C58 H80 O18 P2 -","2","1","BK1225","Livant, P. D.; Mao, J.; Webb, T. R.","Tris[2-(2-methoxyethoxy)phenyl]phosphine Oxide Monohydrate","Acta Crystallographica Section C","1996","52","11","2924","2927","10.1107/S0108270196008906","","","0.71073","MoKα","","0.06","0.0516","","0.0881","0.0843","","","","","1.46","1.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005572","7.755","0.006","15.352","0.004","13.508","0.009","90","","95.73","0.06","90","","1600.2","1.7","211","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1:1) p-nitroaniline/3,5-dinitromethyl salicylate co-crystal","","- C14 H12 N4 O9 -","- C14 H12 N4 O9 -","- C56 H48 N16 O36 -","4","1","BK1232","Huang, K.-S.; Britton, D.; Etter, M. C.","<i>p</i>-Nitroaniline–3,5-Dinitromethyl Salicylate (1:1) Co-Crystal","Acta Crystallographica Section C","1996","52","11","2868","2871","10.1107/S0108270196008864","","","0.71073","MoKα","","","0.051","","","0.067","","","","","1.8","1.8","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005573","19.05","0.002","8.9927","0.0008","10.418","0.002","90","","101.05","0.01","90","","1751.6","0.4","295","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Triphenylphosphinecarbomethoxymethylene","","- C21 H19 O2 P -","- C21 H19 O2 P -","- C84 H76 O8 P4 -","4","1","BK1237","Boyle, P. D.","Methyl Triphenylphosphoranylideneacetate: a Redetermination","Acta Crystallographica Section C","1996","52","11","2859","2861","10.1107/S0108270196007561","","","0.71069","MolybdenumKα","","0.042","0.042","","0.051","0.051","","","","","1.61","1.61","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005574","9.634","0.003","6.5478","0.0008","8.474","0.001","90","","98.86","0.02","90","","528.17","0.19","190","","190","","","","","","","","","3","P 1 2/m 1","-P 2y","12","","","","- C6 H8 O2 -","- C6 H8 O2 -","- C24 H32 O8 -","4","1","BK1244","Pinkerton, A. A.; le Drian, C.; Vogel, P.","Torturing the 7-Oxabicyclo[2.2.1]heptane Skeleton with an Oxetane Ring: 4,7-Dioxatricyclo[3.2.1.0^3,6^]octane at 190K","Acta Crystallographica Section C","1996","52","11","2927","2929","10.1107/S010827019600889X","","","0.7093","MoKα","","0.035","0.032","","","0.051","","","","","2.81","2.81","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005575","10.513","0.003","11.182","0.002","11.206","0.002","90","","97.18","0.02","90","","1307","0.5","294.2","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 S2 -","- C12 H18 N2 S2 -","- C48 H72 N8 S8 -","4","1","BK1249","Fleming, F. F.; Hussain, Z.; Mullaney, M.; Norman, R. E.; Chang, S.-C.","(8<i>R</i>,8a<i>S</i>)-Indolizidine-1-spiro-2'-(1',3'-dithiane)-8-carbonitrile","Acta Crystallographica Section C","1996","52","11","2849","2851","10.1107/S0108270196007548","","","0.7107","MoKα","","","0.06","","","0.076","","","","","1.92","1.92","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005576","5.58","0.001","4.916","0.001","30.174","0.002","90","","91.74","0.02","90","","827.3","0.2","153","","153","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-naphthoic acid","naphthalene-2-carboxylic acid","","- C11 H8 O2 -","- C11 H9 O2 -","- C44 H36 O8 -","4","1","BK1253","Blackburn, A. C.; Fitzgerald, L. J.; Gerkin, R. E.","2-Naphthoic Acid at 153K","Acta Crystallographica Section C","1996","52","11","2862","2864","10.1107/S0108270196008876","","","0.71073","MoKα","","","0.039","","","0.047","","","","","1.74","1.74","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005577","10.066","0.0007","13.753","0.0014","14.729","0.002","66.52","0.02","80.5","0.012","75.87","0.014","1808.4","0.4","127","2","127","2","","","","","","","","5","P -1","-P 1","2","","Chloro-(2,3,7,8,12,13,17,18-octaethylporphinato)gallium(III)","","- C37.45 H46.9 Cl3.9 Ga N4 -","- C37.449 H44 Cl3.898 Ga N4 -","- C74.898 H88 Cl7.796 Ga2 N8 -","2","1","BK1254","Brancato-Buentello, K. E.; Coutsolelos, A. G.; Scheidt, W. R.","Chloro(2,3,7,8,12,13,17,18-octaethylporphinato)gallium(III)","Acta Crystallographica Section C","1996","52","11","2707","2710","10.1107/S0108270196008116","","","0.71073","MoKα","","0.1384","0.0767","","0.1884","0.1501","","","","1.025","1.047","1.047","","","","","has coordinates","198483","2020-10-21","18:00:00",""
"2005578","8.615","0.001","9.954","0.001","29.684","0.002","90","","90","","90","","2545.5","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Z-(O-Benzoyl)-2-aci-nitro-2-phenylacetonitrile","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C120 H80 N16 O24 -","8","1","BK1280","Powell, D. R.; Hanson, P. E.; Gellman, S. H.","(<i>Z</i>)-2-(Benzoyl-<i>aci</i>-nitro)-2-phenylacetonitrile","Acta Crystallographica Section C","1996","52","11","2945","2946","10.1107/S0108270196010827","","","1.54178","CuKα","","0.0398","0.037","","0.104","0.102","","","","1.095","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005579","14.5086","0.0015","34.527","0.003","3.891","0.0008","90","","91.61","0.01","90","","1948.4","0.5","294","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H15 N5 O4.5 S -","- C19.5 H13 N5 O4.43 S -","- C78 H52 N20 O17.72 S4 -","4","1","BM0002","Zhu, Y.; Liu, B.; Guo, Q.-X.; Liu, Y.-C.","(2,4-Dinitrophenyl)(10-methyl-3-phenothiazinyl)diazene Hemimethanol Solvate","Acta Crystallographica Section C","1996","52","11","2789","2791","10.1107/S0108270196007597","","","1.54184","CuKα","","","0.075","","","0.075","","","","","1.528","1.528","","","","","has coordinates","191871","2020-10-21","18:00:00",""
"2005580","9.733","0.001","10.601","0.006","13.835","0.004","93.56","0.02","94.94","0.02","94.31","0.03","1414.8","0.9","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 N4 P Pd S2 -","- C29 H23 N4 P Pd S2 -","- C58 H46 N8 P2 Pd2 S4 -","2","1","BM1065","Long, D.-L.; Xin, X.-Q.; Huang, X.-Y.","(Dimercaptomethylenepropanedinitrilato-<i>S</i>,<i>S</i>')(pyridine)(triphenylphosphine)palladium(II)‒Acetonitrile (1/1)","Acta Crystallographica Section C","1996","52","11","2724","2726","10.1107/S0108270196004040","","","0.71073","MoKα","","","0.037","","","0.048","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005581","4.81","0.003","11.175","0.005","10.887","0.005","90","","102.41","0.04","90","","571.5","0.5","300","1","300","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ammonium D,L-glycerate","ammonium D,L-glycerate","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","BM1070","Popek, T.; Lis, T.","Ammonium, Potassium and Lithium Salts of D, <small>L</small>-Glyceric Acid","Acta Crystallographica Section C","1996","52","11","2716","2720","10.1107/S0108270196007044","","","0.71073","MoKα","","0.1209","0.0418","","0.1127","0.0957","","","","1.048","1.145","1.145","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005582","4.79","0.002","10.506","0.006","10.851","0.006","90","","103.69","0.05","90","","530.5","0.5","290","1","290","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","potassium D,L-glycerate","potassium D,L-glycerate","","- C3 H5 K O4 -","- C3 H5 K O4 -","- C12 H20 K4 O16 -","4","1","BM1070","Popek, T.; Lis, T.","Ammonium, Potassium and Lithium Salts of D, <small>L</small>-Glyceric Acid","Acta Crystallographica Section C","1996","52","11","2716","2720","10.1107/S0108270196007044","","","0.71073","MoKα","","0.0337","0.0337","","0.0889","","","","","1.089","","","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005583","5.099","0.004","11.498","0.009","8.728","0.008","90","","104.44","0.06","90","","495.5","0.7","293","1","293","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lithium D,L-glycerate","lithium D,L-glycerate","","- C3 H5 Li O4 -","- C3 H5 Li O4 -","- C12 H20 Li4 O16 -","4","1","BM1070","Popek, T.; Lis, T.","Ammonium, Potassium and Lithium Salts of D, <small>L</small>-Glyceric Acid","Acta Crystallographica Section C","1996","52","11","2716","2720","10.1107/S0108270196007044","","","0.71073","MoKα","","0.05","0.0324","","0.0984","0.0907","","","","1.048","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005584","5.974","0.0004","8.2261","0.0007","40.685","0.004","90","","90","","90","","1999.4","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-Phenylindazole","","- C13 H10 N2 -","- C13 H10 N2 -","- C104 H80 N16 -","8","1","BM1080","Hager, O.; Foces-Foces, C.; Jagerovic, N.; Elguero, J.; Trofimenko, S.","5-Phenylindazole","Acta Crystallographica Section C","1996","52","11","2894","2896","10.1107/S0108270196007068","","","1.5418","CuKα","","0.065","0.038","","0.057","0.044","","","","0.456","0.424","0.424","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005585","5.395","0.003","5.742","0.002","11.428","0.004","82.06","0.03","87.64","0.04","83.32","0.04","348.1","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","sodium hydrogen bis(phosphoenolpyruvate) dihydrate","","- C6 H13 Na O14 P2 -","- C6 H13 Na O14 P2 -","- C6 H13 Na O14 P2 -","1","0.5","BM1081","Lis, T.","Acid Salts of Phosphoenolpyruvic Acid (H~3~PEP): NaH~5~(PEP)~2~.2H~2~O and KH~5~(PEP)~2~","Acta Crystallographica Section C","1996","52","11","2720","2724","10.1107/S0108270196007445","","","0.71073","MoKα","","0.031","0.0265","","0.0765","0.0741","","","","1.095","1.128","1.128","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005586","11.927","0.007","6.803","0.004","17.215","0.011","90","","101.91","0.05","90","","1366.7","1.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","potassium hydrogen bis(phosphoenolpyruvate)","","- C6 H9 K O12 P2 -","- C6 H9 K O12 P2 -","- C24 H36 K4 O48 P8 -","4","1","BM1081","Lis, T.","Acid Salts of Phosphoenolpyruvic Acid (H~3~PEP): NaH~5~(PEP)~2~.2H~2~O and KH~5~(PEP)~2~","Acta Crystallographica Section C","1996","52","11","2720","2724","10.1107/S0108270196007445","","","0.71073","MoKα","","0.0832","0.0361","","0.1086","0.0954","","","","1.011","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005587","7.134","0.001","12.152","0.002","13.304","0.001","90","","90","","90","","1153.4","0.3","293","2","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 H6 O3 -","- C6 H6 O3 -","- C48 H48 O24 -","8","2","","Burgess, J.; Fawcett, J.; Russell, D. R.; Hider, R. C.; Hossain, M. B.; Stoner, C. R.; van der Helm, D.","Two Polymorphic Forms of 3-Hydroxy-2-methyl-4H-pyran-4-one (Maltol)","Acta Crystallographica Section C","1996","52","11","2917","2920","10.1107/S0108270196007081","","","","","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005588","7.166","0.002","35.909","0.01","6.982","0.002","90","","109.79","0.03","90","","1690.5","0.9","163","2","163","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Maltol","","","- C6 H6 O3 -","- C6 H6 O3 -","- C72 H72 O36 -","12","3","BM1083","Burgess, J.; Fawcett, J.; Russell, D. R.; Hider, R. C.; Hossain, M. B.; Stoner, C. R.; van der Helm, D.","Two Polymorphic Forms of 3-Hydroxy-2-methyl-4<i>H</i>-pyran-4-one (Maltol)","Acta Crystallographica Section C","1996","52","11","2917","2920","10.1107/S0108270196007081","","","1.54178","CuKα","","0.0581","0.0434","","0.1274","0.1151","","","","1.071","1.078","1.078","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005589","23.826","0.007","10.098","0.004","9.881","0.004","90","","90","","90","","2377.3","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2(R)-ethoxy-4(R)-(1,2;3,4-di-O-isopropylidene-a-D-galacto-1,5-pyranose-5-yl) -6-(thiazol-2-yl)-3,4-dihydro-2H-pyrane.","","- C21 H31 N O8 S -","- C21 H31 N O8 S -","- C84 H124 N4 O32 S4 -","4","1","BM1086","Ianelli, S.; Nardelli, M.","Directly Linked <i>C</i>-Disaccharides: Structures of Two 3,4-Dihydro-2<i>H</i>-pyran Derivatives","Acta Crystallographica Section C","1996","52","11","2853","2857","10.1107/S010827019600827X","","","1.54178","CuKα","","0.0693","0.0313","","0.0603","0.0497","","","","0.749","0.904","0.904","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005590","17.339","0.004","16.43","0.005","7.222","0.003","90","","90","","90","","2057.4","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2(R)-ethoxy-4(S)-(1,2;3,4-di-O-isopropylidene-a-D-galacto-1,5-pyranose-5-yl) -6-formyl-3,4-dihydro-2H-pyrane.","","- C19 H28 O8 -","- C19 H28 O8 -","- C76 H112 O32 -","4","1","BM1086","Ianelli, S.; Nardelli, M.","Directly Linked <i>C</i>-Disaccharides: Structures of Two 3,4-Dihydro-2<i>H</i>-pyran Derivatives","Acta Crystallographica Section C","1996","52","11","2853","2857","10.1107/S010827019600827X","","","1.54178","CuKα","","0.092","0.0284","","0.0508","0.0409","","","","0.638","0.797","0.797","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005591","13.495","0.001","9.666","0.01","19.718","0.001","90","","109.108","0.005","90","","2430","3","130","","130","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H29 N O3 Sn -","- C25 H29 N O3 Sn -","- C100 H116 N4 O12 Sn4 -","4","1","BM1087","Meetsma, A.; Dijkstra, H. P.; ten Have, R.; van Leusen, A. M.","An Unexpected Trimethylstannylpyrrole from a Stannylated Derivative of Tosylmethyl Isocyanide (TosMIC) and Chalcone","Acta Crystallographica Section C","1996","52","11","2747","2750","10.1107/S0108270196009286","","","0.71073","MoKα","","0.0338","0.0249","","0.0689","0.0586","","","","1.071","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005592","5.428","0.002","9.747","0.003","16.115","0.002","90","","94.336","0.004","90","","850.2","0.4","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Ag2 N4 O12 -","- C14 H6 Ag2 N4 O12 -","- C28 H12 Ag4 N8 O24 -","2","0.5","BM1093","Ülkü, D.; Tahir, M. N.; Movsumov, E. M.","Poly[bis(3,5-dinitrobenzoato-<i>O</i>^1^:<i>O</i>^2^)disilver(I)-<i>O</i>^2^:<i>Ag</i>;<i>Ag</i>':<i>O</i>^2'^]","Acta Crystallographica Section C","1996","52","11","2678","2680","10.1107/S0108270196009298","","","0.71073","MoKα","","","0.049","","","0.04","","","","","1","1","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005593","3.7491","0.0003","3.7491","0.0003","10.4122","0.0004","90","","90","","90","","146.351","0.017","292","","292","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C B2 Gd Rh2 -","- C B2 Gd Rh1.868 -","- C2 B4 Gd2 Rh3.736 -","2","0.0625","BR1145","Ye, J.; Shishido, T.; Kimura, T.; Matsumoto, T.; Fukuda, T.","A New Quaternary Borocarbide, GdRh~2~B~2~C","Acta Crystallographica Section C","1996","52","11","2652","2655","10.1107/S010827019600724X","","","0.7107","MoKα","","","0.025","","","0.023","","","","","1.45","1.45","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005594","10.259","0.006","6.94","0.004","12.175","0.007","90","","106.764","0.007","90","","830","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dipotassium diberyllium trisilicate","","","- Be2 K2 O9 Si3 -","- Be2 K2 O9 Si3 -","- Be8 K8 O36 Si12 -","4","1","BR1147","Bu, X.; Gier, T. E.; Stucky, G. D.","K~2~Be~2~Si~3~O~9~, a Potassium Beryllium Silicate Framework Built from Edge-Sharing Be–O Tetrahedra and Three-Ring Silicate Tetrahedra","Acta Crystallographica Section C","1996","52","11","2662","2664","10.1107/S0108270196007378","","","0.7093","MolybdenumKα","","0.0361","0.0329","","0.099","0.0973","","","","1.206","1.239","1.239","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005595","9.2943","0.0011","11.6858","0.001","31.698","0.002","90","","90","","90","","3442.8","0.5","296","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Hydroxy-5-methylphenyl)salicylaldiminodiethylaminonickel(II)","","- C18 H22 N2 Ni O2 -","- C18 H22 N2 Ni O2 -","- C144 H176 N16 Ni8 O16 -","8","1","CF1069","Ercan, F.; Sari, M.; Yaǧbasan, R.; Taştekin, M.; Aksu, L.","(Diethylamine-<i>N</i>){4-methyl-2-[(2-oxidobenzylidene)amino]phenolato(2–)-<i>O</i>,<i>N</i>,<i>O</i>'}nickel(II)","Acta Crystallographica Section C","1996","52","11","2682","2684","10.1107/S010827019600964X","","","0.71073","MoKα","","","0.065","","","0.085","","","","","1.41","1.41","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005596","15.265","0.003","11.115","0.002","10.178","0.002","90","","109.7","0.01","90","","1625.8","0.5","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Pt(2,9-dimethyl-1,10-phenantroline)(CN)~2~(ethylene)","","- C18 H16 N4 Pt -","- C18 H16 N4 Pt -","- C72 H64 N16 Pt4 -","4","0.5","CF1071","Tuzi, A.; Panunzi, B.","Dicyano(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')(η^2^-ethene)platinum(II)","Acta Crystallographica Section C","1996","52","11","2745","2747","10.1107/S0108270196009651","","","0.71073","MoKα","","0.026","0.019","","","0.028","","","","","1.093","1.093","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2005597","20.977","0.004","8.943","0.002","25.504","0.005","90","","90","","90","","4784.5","1.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-thione-3(N)-[9'(2''-methoxy-6''-chloro)acridinyl]-5-[2'-(di ethylamino)ethylthio]]-1,3,4-thiadiazole","","- C22 H23 Cl N4 O S3 -","- C22 H23 Cl N4 O S3 -","- C176 H184 Cl8 N32 O8 S24 -","8","1","CF1083","Karolak-Wojciechowska, J.; Mrozek, A.; Amiel, P.; Brouant, P.; Barbe, J.","A Potential Antiprotozoal Drug Containing Acridine and Thiadiazole Moieties","Acta Crystallographica Section C","1996","52","11","2939","2941","10.1107/S0108270196007135","","","1.54178","CuKα","","0.0978","0.064","","0.209","0.1745","","","","1.043","1.075","1.075","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005598","4.634","0.001","13.069","0.004","15.832","0.005","90","","90","","90","","958.8","0.5","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N3 O S2 -","- C6 H9 N3 O S2 -","- C24 H36 N12 O4 S8 -","4","1","CF1085","Pomes Hernandez, R.; Gómez González, A.; Rosado Pérez, A.; Nápoles Frías, B. M.; Toscano, R. A.; Quincoces Suárez, J.","<i>N</i>'-[Bis(methylthio)methylene]cyanoacetohydrazide","Acta Crystallographica Section C","1996","52","11","2941","2942","10.1107/S0108270196007147","","","1.54184","CuKα","","","0.039","","","0.05","","","","","1.13","1.13","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005599","7.611","0.003","20.972","0.01","10.312","0.004","90","","99.93","","90","","1621.3","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(p-diethylaminophenyl)-1,3-indandione","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","CF1092","Khodorkovsky, V.; Mazor, R. A.; Ellern, A.","2-(<i>p</i>-Diethylaminobenzylidene)-1,3-indandione","Acta Crystallographica Section C","1996","52","11","2878","2880","10.1107/S0108270196007457","","","0.71073","MoKα","","0.1241","0.074","","0.2751","0.1898","","","","1.033","1.103","1.103","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005600","7.032","0.001","10.667","0.002","11.879","0.002","102.4","0.03","102.92","0.03","95.16","0.03","839.3","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","4-(N-benzoxy)imino-3,3-dihydro-2,2-dimethyl-6-nitro-2H-1-benzopyran","","- C18 H16 N2 O5 -","- C18 H16 N2 O5 -","- C36 H32 N4 O10 -","2","1","CF1093","Yang, Q.-C.; Li, H.-M.; Tang, Y.-Q.; Huang, W.-L.","2,2-Dimethyl-6-nitro-3,4-dihydro-2<i>H</i>-benzo[<i>b</i>]pyran-4-one <i>O</i>-Benzoyloxime","Acta Crystallographica Section C","1996","52","11","2920","2922","10.1107/S0108270196008475","","","0.71073","MolybdenumKα","","0.1234","0.0486","","","0.0556","","","","","1.6","1.6","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005601","10.362","0.002","14.463","0.002","15.209","0.002","90","","90","","90","","2279.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 Cl2 N2 O8 -","- C18 H34 Cl2 N2 O8 -","- C72 H136 Cl8 N8 O32 -","4","1","CF1098","Wolska, I.; Borowiak, T.; Boczoń, Wł.","17β-Isopropylsparteine and 17β-Isopropyllupanine Perchlorates","Acta Crystallographica Section C","1996","52","11","2822","2826","10.1107/S0108270196008499","","","0.71073","MoKα","","0.1315","0.0653","","0.1837","0.1534","","","","1.069","1.215","1.215","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005602","8.262","0.002","13.774","0.004","8.915","0.002","90","","92.49","0.02","90","","1013.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H33 Cl N2 O6 -","- C18 H33 Cl N2 O6 -","- C36 H66 Cl2 N4 O12 -","2","1","CF1098","Wolska, I.; Borowiak, T.; Boczoń, Wł.","17β-Isopropylsparteine and 17β-Isopropyllupanine Perchlorates","Acta Crystallographica Section C","1996","52","11","2822","2826","10.1107/S0108270196008499","","","0.71073","MoKα","","0.0871","0.0357","","0.1371","0.0998","","","","1.125","1.02","1.02","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005603","6.728","0.002","7.94","0.007","25.085","0.009","90","","90","","90","","1340","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[1-[(4,5-dimethyl-2-aminophenyl)imino]ethyl]phenol","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","CF1102","Corden, J. P.; Bishop, P. R.; Errington, W.; Wallbridge, M. G. H.","2-{1-[(2-Amino-4,5-dimethylphenyl)imino]ethyl}phenol","Acta Crystallographica Section C","1996","52","11","2777","2779","10.1107/S0108270196007159","","","0.71073","MoKα","","0.051","0.0382","","0.1122","0.0831","","","","1.058","1.127","1.127","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005604","13.63","0.005","10.897","0.004","14.546","0.004","90","","90.08","0.03","90","","2160.5","1.3","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8,3'-methylene[7-acetoxy-4-methyl-2H-1-benzopyran-2-one] [4''-methyl-2''H- 1''-pyran-2''-one(5',6':6'',5'')-2'H-1'-benzopyran-2'-one]","","- C26 H18 O8 -","- C26 H18 O8 -","- C104 H72 O32 -","4","1","CF1115","Jain, S. C.; Talwar, S.; Kumar, R.; Babu, B. R.; Errington, W.","The Acetyl Derivative of a Novel Fries Rearrangement Product","Acta Crystallographica Section C","1996","52","11","2775","2777","10.1107/S0108270196008487","","","0.71073","MoKα","","0.0952","0.0475","","0.1172","0.0954","","","","1.021","1.101","1.101","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005605","10.432","0.002","15.737","0.003","15.406","0.003","90","","96.57","0.02","90","","2512.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 B9 P S -","- C18 H38 B9 P S -","- C72 H152 B36 P4 S4 -","4","1","CF1127","Rosair, G. M.; Welch, A. J.; Weller, A. S.","9-Dicyclohexylphenylphosphino-<i>arachno</i>-6-thiadecaborane(11)","Acta Crystallographica Section C","1996","52","11","2851","2853","10.1107/S0108270196008244","","","0.71073","MoKα","","0.1839","0.0694","","0.188","0.1316","","","","0.995","1.105","1.105","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005606","10.933","0.002","6.4597","0.0014","5.6849","0.0009","90","","90","","90","","401.49","0.13","150","0.2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1-Methyl-1,3,4-triazole","","- C3 H5 N3 -","- C3 H5 N3 -","- C12 H20 N12 -","4","0.5","CF1129","Palmer, M. H.; Parsons, S.","4-Methyl-1,2,4-triazole and 1-Methyltetrazole","Acta Crystallographica Section C","1996","52","11","2818","2822","10.1107/S0108270196008232","","","1.54184","CuKα","","0.0358","0.0352","","0.0904","0.0896","","","","1.124","1.138","1.138","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005607","5.578","0.002","6.324","0.002","10.799","0.006","90","","90","","90","","380.9","0.3","150","0.2","150","0.2","","","","","","","","3","P n m a","-P 2ac 2n","62","","1-Methyltetrazole","","- C2 H4 N4 -","- C2 H4 N4 -","- C8 H16 N16 -","4","0.5","CF1129","Palmer, M. H.; Parsons, S.","4-Methyl-1,2,4-triazole and 1-Methyltetrazole","Acta Crystallographica Section C","1996","52","11","2818","2822","10.1107/S0108270196008232","","","1.54184","CuKα","","0.036","0.0353","","0.0825","0.0817","","","","1.138","1.152","1.152","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005608","10.752","0.001","8.711","0.002","16.646","0.001","90","","94.4","0.1","90","","1554.5","0.4","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O7 -","- C18 H16 O7 -","- C72 H64 O28 -","4","1","DE1027","Lakshmi, S.; Kumar, S.; Senthilselvan, J.; Subramanian, K.","Dalspinosin","Acta Crystallographica Section C","1996","52","11","2873","2875","10.1107/S0108270196007652","","","0.71073","MoKα","","","0.0399","","","0.0998","","","","","1.048","1.048","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005609","5.184","0.001","15.569","0.002","10.053","0.0015","90","","93.64","0.02","90","","809.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-hydroxy-2,1λ^5^-benzoxarsol-3-one monohydrate","","- C7 H7 As O4 -","- C7 H7 As O4 -","- C28 H28 As4 O16 -","4","1","DE1033","Hundal, M. S.; Hundal, G.; Parmar, S. S.","1-Hydroxy-2,1λ^5^-benzoxarsol-3-one Monohydrate","Acta Crystallographica Section C","1996","52","11","2726","2728","10.1107/S0108270196007640","","","0.71073","MoKα","","0.0807","0.0442","","0.1037","0.0901","","","","1.001","1.077","1.077","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005610","9.8597","0.0008","11.522","0.002","9.333","0.001","92.19","0.01","115.18","0.008","75.94","0.01","928.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(o-phénylèneamineammonium) Bis(o-phénylènediammonium) cyclo-Hexaphosphate Dihydrate","","- C24 H42 N8 O20 P6 -","- C24 H42 N8 O20 P6 -","- C24 H42 N8 O20 P6 -","1","0.5","DU1132","Soumhi, E. H.; Jouini, T.","Bis(<i>o</i>-aminophénylammonium) Bis(<i>o</i>-phénylènediammonium) <i>cyclo</i>-Hexaphosphate Dihydrate","Acta Crystallographica Section C","1996","52","11","2802","2805","10.1107/S0108270196003770","","","0.71069","MoKα","","0.0356","0.0295","","0.0806","0.0771","","","","1.082","1.108","1.108","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005611","10.8997","0.0007","10.8997","0.0007","42.817","0.004","90","","90","","90","","5086.8","0.7","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","Beryllium tetrahydrogenorthoperiodate tetrahydrate","","- Be H16 I2 O16 -","- Be H16 I2 O16 -","- Be16 H256 I32 O256 -","16","0.5","DU1154","Zhang, Z.; Lutz, H. D.; Georgiev, M.; Maneva, M.","The First Beryllium Periodate: Be(H~4~IO~6~)~2~.4H~2~O","Acta Crystallographica Section C","1996","52","11","2660","2662","10.1107/S0108270196006762","","","0.7107","MoKα","","0.0331","0.0286","","0.087","0.0844","","","","1.344","1.379","1.379","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005612","8.6233","0.0006","8.6233","0.0006","5.6384","0.0007","90","","90","","90","","419.28","0.08","294","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","","","","- H8 N2 O8 P V2 -","- N2 O8 P2 V3 -","- N4 O16 P4 V6 -","2","0.25","","","(NH~4~)~2~(VO)(VP)O~7~ , a Layered Structure Comprising Tetrahedral VPO~7~ Groups","Acta Crystallographica C","1996","52","","2668","2670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005613","6.328","0.001","13.208","0.002","20.069","0.005","90","","90","","90","","1677.4","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,4α-dihydroxy-5β-androstan-17-one","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","FG1119","Ramos Silva, M.; Paixão, J. A.; de Almeida, M.-J. M.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3β,4α-Dihydroxy-5β-androstan-17-one","Acta Crystallographica Section C","1996","52","11","2892","2894","10.1107/S0108270196008839","","","0.71073","MoKα","","0.1287","0.0424","","0.1204","0.0883","","","","1.004","1.065","1.065","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005614","24.856","0.005","22.041","0.005","7.921","0.003","90","","90","","90","","4340","2","293","","293","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","cis-4,5-Dihydroxy-2,3,4,5-tetraphenylcyclopent-2-en-1-one","","- C29 H22 O3 -","- C29 H22 O3 -","- C232 H176 O24 -","8","1","FG1122","Jedrzejas, M. J.; Rubin, M. D.; Baker, R. J.; Masnovi, J.; Towns, R. L. R.","<i>cis</i>-4,5-Dihydroxy-2,3,4,5-tetraphenylcyclopent-2-enone","Acta Crystallographica Section C","1996","52","11","2936","2939","10.1107/S0108270196006944","","","0.7093","MoKα","","0.081","0.081","","0.058","0.058","","","","0.99","0.99","0.99","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005615","13.102","0.002","7.077","0.002","16.233","0.002","90","","109.31","0.02","90","","1420.5","0.5","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F N2 O2 -","- C17 H13 F N2 O2 -","- C68 H52 F4 N8 O8 -","4","1","FG1146","De Simone, C. A.; Pereira, M. A.; Luu-Duc, C.; Pitta, I. R.; Galdino, S. L.; Menezes, E. H. C.; Zukerman-Schpector, J.","3-Benzyl-5-(2-fluorobenzylidene)imidazolidine-2,4-dione","Acta Crystallographica Section C","1996","52","11","2771","2772","10.1107/S0108270196007317","","","0.71073","MoKα","","0.0845","0.0562","","0.1689","0.1387","","","","1.114","1.11","1.11","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005616","14.505","0.002","10.792","0.001","18.496","0.002","90","","98.81","0.01","90","","2861.2","0.6","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3,5-tris-{2-[(N,N-dimethylhydrazono)methyl]phenyl)}boroxin","","- C27 H33 B3 N6 O3 -","- C27 H33 B3 N6 O3 -","- C108 H132 B12 N24 O12 -","4","1","FG1192","Robinson, P. D.; Groziak, M. P.; Yi, L.","A Triphenylboroxin Derivative Possessing Two Intramolecular Chelates","Acta Crystallographica Section C","1996","52","11","2826","2830","10.1107/S010827019600697X","","","0.71069","MoKα","","","0.043","","","0.049","","","","","1.49","1.49","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005617","12.303","0.002","18.668","0.004","13.09","0.002","90","","112.81","0.02","90","","2771.3","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 3α-methacryloylamino-7α,12α-dihydroxy-5β-cholanoate","","- C29 H47 N O5 -","- C29 H47 N O5 -","- C116 H188 N4 O20 -","4","2","FG1198","Akram, M.; Denike, J. K.; Bélanger-Gariépy, F.; Zhu, X.-X.","Methyl 7α,12α-Dihydroxy-3α-methacryloylamino-5β-cholan-24-oate","Acta Crystallographica Section C","1996","52","11","2905","2907","10.1107/S0108270196007809","","","1.54056","CopperKα","","0.0471","0.0381","","0.0896","0.0853","","","","0.942","1.001","1.001","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:27",""
"2005618","11.628","0.003","6.804","0.002","20.778","0.005","90","","96.12","0.03","90","","1634.5","0.8","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α,α'-Bis(2-selenopyridine)-p-xylene","","- C18 H16 N2 Se2 -","- C18 H16 N2 Se2 -","- C72 H64 N8 Se8 -","4","1","FG1204","Kienitz, C. O.; Thöne, C.; Jones, P. G.","α,α'-Bis(2-pyridylseleno)-<i>p</i>-xylene","Acta Crystallographica Section C","1996","52","11","2847","2849","10.1107/S0108270196007536","","","0.71073","MoKα","","0.0451","0.0313","","0.085","0.0699","","","","1.067","1.056","1.056","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005619","7.9286","0.0016","9.7444","0.0014","20.756","0.003","90","","93.173","0.014","90","","1601.1","0.5","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(SS*,1S*,2R*)-1-(Hydroxymethyl)-2-(p-toluenesulfinyl)ferrocene","","- C18 H18 Fe O2 S -","- C18 H18 Fe O2 S -","- C72 H72 Fe4 O8 S4 -","4","1","FG1218","Robinson, P. D.; Hua, D. H.; Lagneau, N. M.; Chen, J.","(S<i>S</i>*,1<i>S</i>*,2<i>R</i>*)-1-(Hydroxymethyl)-2-(<i>p</i>-tolylsulfinyl)ferrocene","Acta Crystallographica Section C","1996","52","11","2757","2760","10.1107/S0108270196010165","","","0.71069","MoKα","","","0.058","","","0.047","","","","","1.19","1.19","","","","","has coordinates","191860","2020-10-21","18:00:00",""
"2005620","16.149","0.008","12.969","0.008","17.075","0.009","90","","110.59","0.04","90","","3348","3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","S-(trans-3-methyloxiran-2-yl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximide","","- C16 H17 N O4 S2 -","- C16 H17 N O4 S2 -","- C128 H136 N8 O32 S16 -","8","2","FG1221","Clegg, W.; Elsegood, M. R. J.; Jackson, R. F. W.; Bailey, P. L.; Briggs, A. D.","A Sulfoximidooxirane","Acta Crystallographica Section C","1996","52","11","2781","2783","10.1107/S0108270196010141","","","0.71073","MoKα","","0.0812","0.0395","","0.1242","0.0967","","","","1.074","1.054","1.054","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005621","5.9653","0.0007","13.45","0.002","18.63","0.002","90","","90","","90","","1494.7","0.3","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-p-toluenesulfonylaziridine-(2S)-carboxylic acid tert-butyl ester","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C56 H76 N4 O16 S4 -","4","1","FG1222","Clegg, W.; Heath, S. L.; Horsburgh, L.; Jackson, R. F. W.; Wood, A.","A Sulfonyl-Substituted Aziridine","Acta Crystallographica Section C","1996","52","11","2779","2781","10.1107/S0108270196010153","","","0.71073","MoKα","","0.0272","0.026","","0.0685","0.0674","","","","1.062","1.062","1.062","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005622","11.987","0.002","9.7183","0.0015","10.2177","0.0012","90","","119.889","0.009","90","","1032","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1'-diacetyl-2,2'-biimidazole","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C40 H40 N16 O8 -","4","0.5","HA1165","Secondo, P. M.; Hester, C. A.; Collier, H. L.; Baughman, R. G.; Cordes, A. W.","1,1'-Diacetyl-2,2'-biimidazole","Acta Crystallographica Section C","1996","52","11","2882","2883","10.1107/S0108270196008001","","","0.71073","MoKα","","0.0477","0.0388","","0.1062","0.0998","","","","1.058","1.1","1.1","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005623","4.3326","0.0012","7.966","0.003","26.889","0.017","90","","90","","90","","928","0.7","293","2","293","2","","","","","","","","3","F 2 d d","F -2d 2","43","2-Butyne-1,4-diol","2-Butyne-1,4-diol","","- C4 H6 O2 -","- C4 H6 O2 -","- C32 H48 O16 -","8","0.5","HA1166","Steiner, Th.","2-Butyne-1,4-diol","Acta Crystallographica Section C","1996","52","11","2885","2887","10.1107/S0108270196008207","","","1.54176","CuKα","","0.0416","0.0321","","0.1019","0.0879","","","","1.074","1.076","1.076","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005624","7.795","0.004","15.347","0.002","19.245","0.002","90","","99.53","0.04","90","","2270.5","1.3","298","3","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H34 Cl2 Cu N4 O9 -","- C14 H34 Cl2 Cu N4 O9 -","- C56 H136 Cl8 Cu4 N16 O36 -","4","1","HR1024","Tahirov, T. H.; Lu, T.-H.; Liao, F.-L.; Wang, S.-L.; Chen, B.-H.; Chi, T.-Y.; Chung, C.-S.","Aqua(1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')copper(II) Diperchlorate","Acta Crystallographica Section C","1996","52","11","2687","2689","10.1107/S0108270196007925","","","0.71073","MoKα","","","0.04","","","0.062","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005625","12.169","0.002","13.576","0.001","14.919","0.001","90","","90","","90","","2464.7","0.5","298","3","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 Co N7 S3 -","- C19 H32 Co N7 S3 -","- C76 H128 Co4 N28 S12 -","4","1","HR1025","Lu, T.-H.; Tahirov, T. H.; Chen, B.-H.; Lai, C.-Y.; Chung, C.-S.","<i>trans</i>-(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')di(isothiocyanato-<i>N</i>)cobalt(III) Thiocyanate","Acta Crystallographica Section C","1996","52","11","2684","2687","10.1107/S0108270196008724","","","0.71073","MoKα","","","0.051","","","0.055","","","","","1.52","1.52","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:27",""
"2005626","9.166","0.002","35.341","0.004","10.101","0.003","90","","110.65","0.01","90","","3061.8","1.2","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 Cl3 Co N6 -","- C33 H24 Cl3 Co N6 -","- C132 H96 Cl12 Co4 N24 -","4","1","JZ1109","Castro, J. A.; Romero, J.; García-Vázquez, J. A.; Sousa, A.; Castiñeiras, A.","Tris{2-[(4-chlorophenyl)iminomethyl]pyrrolato-<i>N</i>,<i>N</i>'}cobalt(III)","Acta Crystallographica Section C","1996","52","11","2734","2736","10.1107/S0108270196008785","","","0.71073","MoKα","","","0.052","","","0.059","","","","","2.92","2.92","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005627","9.264","0.005","12.768","0.006","10.177","0.005","90","","94.19","0.02","90","","1200.5","1","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 Fe O10 P4 -","- C4 Fe O10 P4 -","- C16 Fe4 O40 P16 -","4","1","JZ1123","Jansen, M.; Clade, J.","Tetracarbonyl(tetraphosphorus hexaoxide)iron","Acta Crystallographica Section C","1996","52","11","2650","2652","10.1107/S0108270196004398","","","0.71073","MoKα","","0.0422","0.0377","","0.1046","0.0922","","","","1.068","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005628","12.474","0.002","6.3201","0.0008","12.418","0.003","90","","94.93","0.03","90","","975.4","0.3","193","1","193","1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","Bis(1,5-cyclooctadiene)di-μ-ethoxo-dirhodium(I)","","- C20 H34 O2 Rh2 -","- C20 H34 O2 Rh2 -","- C40 H68 O4 Rh4 -","2","0.5","JZ1129","Ramm, M.; Selent, D.","Bis[(1,2,5,6-η)-1,5-cyclooctadiene]-di-μ-ethoxo-dirhodium(I)","Acta Crystallographica Section C","1996","52","11","2703","2705","10.1107/S0108270196007998","","","0.71073","MoKα","","0.0357","0.0287","","0.078","0.0752","","","","1.071","1.123","1.123","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005629","9.558","0.002","10.454","0.002","11.009","0.002","80.29","0.02","87.94","0.02","75.43","0.02","1049.4","0.4","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","(η^4^-1,3-butadiene)tricarbonyl-μ-hydrido(μ-η^1:5^-indene-1,1-diyl)- (η^5^indenyl)dimolybdenum","","- C25 H20 Mo2 O3 -","- C25 H20 Mo2 O3 -","- C50 H40 Mo4 O6 -","2","1","JZ1134","Kreiter, C. G.; Meuser, R.; Frank, W.; Müller-Becker, S.","Photochemical Reactions of Transition Metal Organyl Complexes with Olefins. 15. Tricarbonyl(η^4^-1,3-butadiene)-μ-hydrido-(μ-η^1:5^-indene-1,1-diyl)(η^5^-indenyl)-dimolybdenum(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1996","52","11","2701","2703","10.1107/S0108270196008165","","","0.71069","MoKα","","0.0254","0.0221","","0.0501","0.0495","","","","1.875","1.927","1.927","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005630","13.061","0.001","18.9771","0.0015","9.3473","0.0009","90","","127.004","0.006","90","","1850.2","0.3","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Chromium(III)-trimetaphosphate","","- Cr O9 P3 -","- Cr O9 P3 -","- Cr12 O108 P36 -","12","3","JZ1135","Gruss, M.; Glaum, R.","Refinement of the Superstructure of <i>C</i>-Type Chromium(III) Tris(metaphosphate), Cr(PO~3~)~3~","Acta Crystallographica Section C","1996","52","11","2647","2650","10.1107/S0108270196007056","","","0.71073","MoKα","","0.0306","0.0208","","0.0602","0.0572","","","","1.093","1.129","1.129","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005631","9.7355","0.0019","8.8451","0.0018","16.594","0.003","90","","99.91","0.03","90","","1407.6","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(2,6-diisopropylphenyl)-2,2,4,4- tetramethyl-1,3,diaza-2,4-disilacyclobutane","","- C28 H46 N2 Si2 -","- C28 H46 N2 Si2 -","- C56 H92 N4 Si4 -","2","0.5","JZ1138","Shah, S. A. A.; Roesky, H. W.; Lubini, P.; Schmidt, H.-G.","1,3-Bis(2,6-diisopropylphenyl)-2,2,4,4-tetramethyl-1,3-diaza-2,4-disilacyclobutane","Acta Crystallographica Section C","1996","52","11","2810","2811","10.1107/S0108270196006865","","","0.71073","MoKα","","0.0367","0.0329","","0.0897","0.0862","","","","1.037","1.049","1.049","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005632","6.5712","0.0006","12.9917","0.0006","6.9237","0.0003","90","","102.133","0.006","90","","577.88","0.07","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","Triammonium trimetaphosphimate monohydrate","Triammonium-tri-μ-imido-cyclotriphosphate monohydrate","","- H17 N6 O7 P3 -","- H17 N6 O7 P3 -","- H34 N12 O14 P6 -","2","1","JZ1139","Stock, N.; Schnick, W.","Triammonium Trimetaphosphimate Monohydrate","Acta Crystallographica Section C","1996","52","11","2645","2647","10.1107/S0108270196006907","","","0.71073","MoKα","","0.0173","0.0167","","0.0447","0.0443","","","","1.129","1.13","1.13","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005633","9.425","0.001","10.904","0.003","20.034","0.007","90","","90","","90","","2058.9","0.9","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,5R,6R,8R,10R,12R)-5,8,15,15-Tetramethyl-6-phenyl-7,9-dioxa-3-thia- 4-azatetracyclo[10.2.1.0^1,10^.0^4,8^]pentadecane 3,3-Dioxide","","- C21 H29 N O4 S -","- C21 H29 N O4 S -","- C84 H116 N4 O16 S4 -","4","1","JZ1144","Bolte, M.; Strahringer, C.","(1<i>S</i>,5<i>R</i>,6<i>R</i>,8<i>R</i>,10<i>R</i>,12<i>R</i>)-5,8,15,15-Tetramethyl-6-phenyl-7,9-dioxa-3-thia-4-azatetracyclo[10.2.1.0^1,10^.0^4,8^]pentadecane 3,3-Dioxide","Acta Crystallographica Section C","1996","52","11","2805","2806","10.1107/S0108270196008840","","","1.5418","CuKα","","0.0312","0.0307","","0.0918","0.0909","","","","0.991","0.99","0.99","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005634","10.79","0.001","10.79","0.001","30.688","0.003","90","0.009","90","0.009","90","0.009","3572.8","0.6","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Boc-Phe-Aminomalonaldehyde","6-benzyl-2,2-dimethyl-5,8-diaza-4,7-dioxo-9-formyl-10-hydroxy- 3-oxa-(9,10)-decen","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C136 H176 N16 O40 -","8","1","KA1191","Sopková, J.; Císarová, I.; Arnold, Z.","Boc–Phe–Aminomalonaldehyde","Acta Crystallographica Section C","1996","52","11","2903","2905","10.1107/S0108270196008025","","","0.71073","MoKα","","0.0516","0.0347","","0.0987","0.0851","","","","1.033","1.017","1.017","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005635","5.8303","0.0007","8.039","0.001","16.026","0.002","84.55","0.01","82.82","0.01","81.91","0.01","735.54","0.16","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N O S -","- C16 H17 N O S -","- C32 H34 N2 O2 S2 -","2","1","KA1196","Hartung, J.; Svoboda, I.; Fuess, H.","Balancing Conjugational Stabilization and Torsional Strain. The Solid-State Structure of a 2-Thioalkyl-Substituted Pyridine <i>N</i>-Oxide","Acta Crystallographica Section C","1996","52","11","2841","2844","10.1107/S0108270196007019","","","0.71069","MoKα","","0.0663","0.0426","","0.1257","0.1125","","","","1.038","1.079","1.079","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005636","12.801","0.004","18.168","0.004","7.866","0.004","90","","90","","90","","1829.4","1.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-androsten-17beta-yl acetate-3-one","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","KA1197","Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.","Three Testosterone Derivatives","Acta Crystallographica Section C","1996","52","11","2899","2903","10.1107/S0108270196006440","","","1.54178","CuKα","","0.1942","0.0492","","0.1746","0.114","","","","1.079","1.302","1.302","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005637","10.207","0.005","40.174","0.007","6.074","0.013","90","","90","","90","","2491","5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","anti-4-androsten-17beta-yl acetate-3-Obenzyloxime","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C112 H148 N4 O12 -","4","1","KA1197","Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.","Three Testosterone Derivatives","Acta Crystallographica Section C","1996","52","11","2899","2903","10.1107/S0108270196006440","","","1.54178","CuKα","","0.1965","0.052","","0.2097","0.1219","","","","1.075","1.238","1.238","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005638","13.507","0.003","6.117","0.005","15.25","0.003","90","","92.582","0.015","90","","1258.7","1.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","syn-4-androsten-17beta-yl acetate-3-O-benzyloxyme","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C56 H74 N2 O6 -","2","1","KA1197","Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.","Three Testosterone Derivatives","Acta Crystallographica Section C","1996","52","11","2899","2903","10.1107/S0108270196006440","","","1.54178","CuKα","","0.1226","0.0476","","0.1629","0.1157","","","","1.072","1.132","1.132","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005639","11.077","0.002","9.631","0.002","20.945","0.004","90","","93.53","0.03","90","","2230.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methyl-4(5)-(p-methoxyphenylazo)imidazole","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C88 H96 N32 O8 -","8","2","KA1202","Anulewicz, R.; Maciejewska, D.","4(5)-(<i>p</i>-Methoxyphenylazo)-2-methylimidazole","Acta Crystallographica Section C","1996","52","11","2943","2945","10.1107/S0108270196007007","","","1.54178","CuKα","","0.117","0.0931","","0.269","0.2349","","","","1.023","1.117","1.117","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005640","14.14","0.005","8.028","0.002","25.133","0.004","90","","90","","90","","2853","1.3","291","","291","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Nitro-α-methoxy-trans-chalcone","3-(4-Nitro-phenyl)-2-methoxy-1-phenyl-prop-2-en-1-one","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","KA1206","Bolte, M.; Schütz, G.; Bader, H. J.","Two Nitro-α-methoxy-<i>trans</i>-chalcones","Acta Crystallographica Section C","1996","52","11","2807","2809","10.1107/S0108270196007913","","","1.5418","CuKα","","0.0758","0.0575","","0.176","0.1601","","","","1.063","1.162","1.162","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005641","8.384","0.001","8.783","0.001","9.492","0.001","95.01","0.01","97.17","0.01","101.5","0.01","675.03","0.14","293","","293","","","","","","","","","4","P -1","-P 1","2","3-Nitro-α-methoxy-trans-chalcone","3-(3-Nitro-phenyl)-2-methoxy-1-phenyl-prop-2-en-1-one","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C32 H26 N2 O8 -","2","1","KA1206","Bolte, M.; Schütz, G.; Bader, H. J.","Two Nitro-α-methoxy-<i>trans</i>-chalcones","Acta Crystallographica Section C","1996","52","11","2807","2809","10.1107/S0108270196007913","","","1.5418","CuKα","","0.0438","0.0429","","0.1132","0.1122","","","","1.129","1.141","1.141","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005642","4.77","0.001","11.725","0.002","8.9911","0.0008","90","","99.64","0.01","90","","495.76","0.14","296","","","","","","","","","","","5","P 1 21 1","","","","","","- C10 H7 F4 N O -","- C10 H7 F4 N O -","- C20 H14 F8 N2 O2 -","2","1","KH1097","Kato, K.; Morikawa, H.; Kimoto, H.; Momota, K.","5,5,8,8-Tetrafluoro-6-methoxy-5,8-dihydroquinoline","Acta Crystallographica Section C","1996","52","11","2836","2837","10.1107/S0108270196007676","","","0.71069","MoKα","","","0.037","","","0.036","","","","","1.41","1.41","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005643","10.914","0.002","13.287","0.002","7.317","0.002","93.43","0.02","94.44","0.02","110.89","0.009","984","0.4","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl Mn N2 O2 -","- C22 H22 Cl Mn N2 O2 -","- C44 H44 Cl2 Mn2 N4 O4 -","2","1","KH1098","Feng, Y.-L.; Liu, S.-X.","Chloro[<i>N</i>,<i>N</i>'-ethylenebis(3-imino-1-phenyl-1-butanonato-<i>N</i>,<i>O</i>)]manganese(III), [MnCl(C~22~H~22~N~2~O~2~)]","Acta Crystallographica Section C","1996","52","11","2768","2770","10.1107/S0108270196006579","","","0.71069","MoKα","","","0.0446","","","0.0535","","","","","1.172","1.172","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005644","9.846","0.009","38.204","0.009","11.421","0.009","90","","113.18","0.07","90","","3949","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-^t^butyl-1-cyclohexyl-2-diisopropylamino-6-(4-methoxyphenyl)-2-[4-methoxy- 2,3,4-tris(methoxycarbonyl)-5-oxo-2-cyclopentenyliden]-1,2-dihydro-1,3,2- diazaphosphinine.","","- C38 H54 N3 O9 P -","- C38 H54 N3 O9 P -","- C152 H216 N12 O36 P4 -","4","1","KH1100","García-Granda, S.; Santiago-García, R.; Bieger, K.","C~38~H~54~N~3~O~9~P, a New Compound in Diazadihydrophosphinine Chemistry","Acta Crystallographica Section C","1996","52","11","2857","2859","10.1107/S0108270196007755","","","0.71073","MoKα","","0.3048","0.058","","0.2329","0.1269","","","","0.992","1.148","1.148","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:27",""
"2005645","8.754","0.002","8.857","0.002","16.748","0.003","90","","92","0.03","90","","1297.8","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Tetra-n-butylammonium Chloride-Thiourea (1/2)","","","- C18 H44 Cl N5 S2 -","- C18 H44 Cl N5 S2 -","- C36 H88 Cl2 N10 S4 -","2","1","KH1101","Li, Q.; Mak, T. C. W.","Tetra-<i>n</i>-butylammonium Chloride–Thiourea (1/2), a Layer-Type Inclusion Compound","Acta Crystallographica Section C","1996","52","11","2830","2832","10.1107/S0108270196008268","","","0.71073","MoKα","","0.0619","0.0501","","0.1476","0.1371","","","","1.061","1.098","1.098","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005646","7.214","0.001","16.437","0.001","16.18","0.002","90","","97.378","0.005","90","","1902.7","0.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-methyladeninium trichloro-7-methyladeninezinc(II) hydrate","","- C12 H17 Cl3 N10 O Zn -","- C12 H17 Cl3 N10 O Zn -","- C48 H68 Cl12 N40 O4 Zn4 -","4","1","KH1103","Price, C. L.; Taylor, M. R.","7-Methyl-3-adeninium Trichloro(7-methyladenine-<i>N</i>^9^)zinc(II) Hydrate","Acta Crystallographica Section C","1996","52","11","2736","2738","10.1107/S0108270196009079","","","1.5418","CuKα","","0.035","0.032","","0.07","0.07","","","","2.903","2.959","2.959","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2005647","6.8995","0.0004","11.3444","0.0006","11.537","0.001","114.436","0.007","92.049","0.006","104.428","0.005","786.26","0.11","571","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H17 B10 N O -","- C10 H17 B10 N O -","- C20 H34 B20 N2 O2 -","2","1","KH1105","White, J. M.; Bateman, S. A.; Kelly, D. P.; Martin, R. F.","3-[1,2-Dicarba-<i>closo</i>-dodecacarboranyl(methyleneoxy)]benzonitrile","Acta Crystallographica Section C","1996","52","11","2785","2787","10.1107/S0108270196008062","","","1.5418","CuKα(Nifiltered","","0.0492","0.0446","","0.165","0.1408","","","","0.809","0.816","0.816","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005648","16.434","0.002","6.99","0.003","16.204","0.002","90","","117.83","0.01","90","","1646.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Co3 N4 O24 -","- C22 H40 Co3 N4 O24 -","- C44 H80 Co6 N8 O48 -","2","0.5","KH1107","Chen, X.-M.; Chen, H.-A.; Wu, B.-M.; Mak, T. C. W.","Hexaaquacobalt(II) Bis[(2-Hydroxy-1,3-propanediamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato)cobalt(III)]","Acta Crystallographica Section C","1996","52","11","2693","2695","10.1107/S0108270196007937","","","0.71073","MoKα","","0.0553","0.0452","","0.1309","0.1225","","","","1.052","1.075","1.075","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005649","10.113","0.002","16.951","0.003","18.015","0.004","90","","98.49","0.03","90","","3054.4","1.1","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,2-Bis(diphenylphosphino)propane](1,3-propanedithiolate)palladium(II), [Pd{Ph~2~P(CH~2~)~3~PPh~2~}(SC~3~H~6~S)].CH~3~CN","","- C32 H35 N P2 Pd S2 -","- C32 H35 N P2 Pd S2 -","- C128 H140 N4 P8 Pd4 S8 -","4","1","KH1111","Su, W.; Hong, M.; Zhou, Z.; Xue, F.; Liu, H.; Mak, T. C. W.","[1,3-Bis(diphenylphosphino)propane-<i>P</i>,<i>P</i>'](1,3-propanedithiolato-<i>S</i>,<i>S</i>')palladium(II) Acetonitrile Solvate, [Pd{Ph~2~P(CH~2~)~3~PPh~2~}(SC~3~H~6~S)].CH~3~CN","Acta Crystallographica Section C","1996","52","11","2691","2693","10.1107/S0108270196008670","","","0.71073","MoKα","","","0.035","","","0.048","","","","","1.12","1.12","","","","","has coordinates","198524","2020-10-21","18:00:00",""
"2005650","12.578","0.002","12.848","0.002","11.505","0.002","90","","90","","90","","1859.2","0.5","291","","291","","","","","","","","","5","P b c n","-P 2n 2ab","60","","[N,N'-bis(2-thiobenzenylidene)1,2-dimethyl-4,5-phenylenediaminato]nickel(II)","","- C22 H18 N2 Ni S2 -","- C22 H18 N2 Ni S2 -","- C88 H72 N8 Ni4 S8 -","4","0.5","KH1114","Henderson, R. K.; Bouwman, E.; Reedijk, J.; Powell, A. K.","[<i>N</i>,<i>N</i>'-Bis(2-thiobenzylidene)-1,2-dimethyl-4,5-phenylenediaminato]nickel(II), Ni(tsaldimph)","Acta Crystallographica Section C","1996","52","11","2696","2698","10.1107/S0108270196009778","","","0.71073","MoKα","","0.0584","0.0328","","0.0498","0.0454","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005651","9.944","0.001","13.171","0.001","15.92","0.002","90","","97.48","0.01","90","","2067.3","0.4","293","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl2 O S Te -","- C21 H18 Cl2 O S Te -","- C84 H72 Cl8 O4 S4 Te4 -","4","1","LI1148","Zukerman-Schpector, J.; Caracelli, I.; Dabdoub, M. J.; Dabdoub, V. B.; Pereira, M. A.","(<i>Z</i>)-1-(Dichloro-<i>p</i>-methoxyphenyltelluro)-1-phenyl-2-thiophenylethene","Acta Crystallographica Section C","1996","52","11","2772","2774","10.1107/S0108270196008256","","","0.71073","MoKα","","0.0414","0.0261","","0.0711","0.061","","","","1.126","1.082","1.082","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005652","8.962","0.002","8.962","0.002","15.439","0.003","90","","90","","90","","1240","0.5","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","Bis(tetraethylammonium)-tetrachloromercurate","","- C16 H40 Cl4 Hg N2 -","- C16 H40 Cl4 Hg N2 -","- C32 H80 Cl8 Hg2 N4 -","2","0.125","MD1004","Mahoui, A.; Lapasset, J.; Moret, J.; Saint Grégoire, P.","Bis(tetraethylammonium) Tetrachlorometallates, [(C~2~H~5~)~4~N]~2~[<i>M</i>Cl~4~], where <i>M</i> = Hg, Cd, Zn","Acta Crystallographica Section C","1996","52","11","2671","2674","10.1107/S010827019600666X","","","0.7107","MoKα","","0.1181","0.0299","","0.0862","0.0676","","","","0.886","1.033","1.033","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005653","9.034","0.002","9.034","0.002","15.297","0.003","90","","90","","90","","1248.4","0.5","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","Bis(tetraethylammonium)-tetrachlorocadamate","","- C16 H40 Cd Cl4 N2 -","- C16 H40 Cd Cl4 N2 -","- C32 H80 Cd2 Cl8 N4 -","2","0.125","MD1004","Mahoui, A.; Lapasset, J.; Moret, J.; Saint Grégoire, P.","Bis(tetraethylammonium) Tetrachlorometallates, [(C~2~H~5~)~4~N]~2~[<i>M</i>Cl~4~], where <i>M</i> = Hg, Cd, Zn","Acta Crystallographica Section C","1996","52","11","2671","2674","10.1107/S010827019600666X","","","0.71069","MoKα","","0.118","0.0389","","0.1028","0.0883","","","","0.755","1.034","1.034","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005654","9.0147","0.001","9.0147","0.001","14.964","0.002","90","","90","","90","","1216","0.3","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","Bis(tetraethylammonium)-tetrachlorozincate","","- C16 H40 Cl4 N2 Zn -","- C16 H42 Cl4 N2 Zn -","- C32 H84 Cl8 N4 Zn2 -","2","0.125","MD1004","Mahoui, A.; Lapasset, J.; Moret, J.; Saint Grégoire, P.","Bis(tetraethylammonium) Tetrachlorometallates, [(C~2~H~5~)~4~N]~2~[<i>M</i>Cl~4~], where <i>M</i> = Hg, Cd, Zn","Acta Crystallographica Section C","1996","52","11","2671","2674","10.1107/S010827019600666X","","","1.5418","CuKα","","0.0688","0.0599","","0.1924","0.1841","","","","1.12","1.195","1.195","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005655","18.308","0.002","7.262","0.001","22.805","0.003","90","","90","","90","","3032","0.7","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cu N3 O4 -","- C14 H17 Cu N3 O4 -","- C112 H136 Cu8 N24 O32 -","8","1","MU1236","Warda, S. A.; Friebel, C.; Sivý, J.; Plesch, G.; Svajlenová, O.","Aqua(3,5-dimethylpyrazole)(<i>N</i>-salicylideneglycinato)copper(II)","Acta Crystallographica Section C","1996","52","11","2763","2766","10.1107/S0108270196008578","","","0.71073","MoKα","","","0.0472","","","0.1161","","","","","1.076","1.076","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005656","35.8","0.004","15.564","0.001","11.387","0.001","90","","96.21","0.01","90","","6307.5","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[(quinolin-8-olato)(8-hydroxyquinoline)(triphenylphosphine)silver(I)] hydrogen acetate monohydrate","","- C74 H62 Ag2 N4 O7 P2 -","- C74 H62 Ag2 N4 O7 P2 -","- C296 H248 Ag8 N16 O28 P8 -","4","1","MU1240","Othman, A. H.; Goh, S.-C.; Fun, H.-K.; Sivakumar, K.","Hydrogen Bis[(8-quinolinol-<i>N</i>)(8-quinolinolato-<i>N</i>,<i>O</i>)(triphenylphosphine-<i>P</i>)silver(I)] Acetate Monohydrate","Acta Crystallographica Section C","1996","52","11","2760","2763","10.1107/S010827019600858X","","","0.71073","MoKα","","0.08","0.053","","0.2075","0.1478","","","","1.056","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005657","11.249","0.002","9.995","0.002","9.362","0.002","90","","111.25","0.03","90","","981","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-thioxo-1,3-thiazolidin-3-yl)4,5-dihydro-1,3-thiazole hydrochloride","","- C6 H9 Cl N2 S3 -","- C6 H9 Cl N2 S3 -","- C24 H36 Cl4 N8 S12 -","4","1","MU1250","Raper, E. S.; Kubiak, M.; Głowiak, T.","2-(2-Thioxo-1,3-thiazolidin-3-yl)-4,5-dihydro-1,3-thiazol-1-ium Chloride, C~6~H~9~N~2~S~3~^+^.Cl^{-^}","Acta Crystallographica Section C","1996","52","11","2908","2910","10.1107/S0108270196008591","","","0.71069","MoKα","","0.0424","0.0424","","0.1137","0.1137","","","","1.097","1.097","1.097","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005658","11.677","0.002","12.431","0.002","9.443","0.002","108.6","0.03","111.44","0.03","89.96","0.03","1198.7","0.5","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","2-(7,9-Diphenylcyclopenta[a]acenaphthylen-6b-yl)-2-phenylethanol","","- C35 H26 O -","- C35 H26 O -","- C70 H52 O2 -","2","1","MU1261","Repo, T.; Klinga, M.; Leskelä, M.; Polamo, M.; Rieger, B.","2-(7,9-Diphenylcyclopenta[<i>a</i>]acenaphthadien-6b-yl)-2-phenylethanol","Acta Crystallographica Section C","1996","52","11","2910","2912","10.1107/S0108270196007895","","","0.71073","MoKα","","0.075","0.0563","","0.1392","0.1279","","","","1.056","1.119","1.119","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005659","17.784","0.005","18.326","0.004","9.055","0.003","90","","104.74","0.03","90","","2854","1.4","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N,N'-dimethyl-N-(p-tolylthio)-N'-[chloro(methyl)arsino]urea","","- C11 H16 As Cl N2 O S -","- C11 H16 As Cl N2 O S -","- C88 H128 As8 Cl8 N16 O8 S8 -","8","2","MU1265","Jones, P. G.; Fischer, A. K.; Müller, C.; Pinchuk, V. A.; Schmutzler, R.","<i>N</i>-Chloro(methyl)arsino-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>'-(<i>p</i>-tolylthio)urea","Acta Crystallographica Section C","1996","52","11","2750","2752","10.1107/S0108270196008359","","","0.71073","MoKα","","0.0485","0.0344","","0.0802","0.0728","","","","1.046","1.055","1.055","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005660","32.027","0.007","9.829","0.002","17.42","0.006","90","","96.89","0.03","90","","5444","3","293","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 Cl4 Cu2 Mo N2 P2 S6 -","- C48 H44 Cl4 Cu2 Mo N2 P2 S6 -","- C192 H176 Cl16 Cu8 Mo4 N8 P8 S24 -","4","0.5","MU1271","Wang, Q.; Wu, X.; Huang, Q.; Sheng, T.","Bis(pyridine-2-thione)-2κ<i>S</i>;3κ<i>S</i>-tetra-μ-sulfido-1:2κ^4^<i>S</i>;1:3κ^4^<i>S</i>-bis(triphenylphosphine)-2κ<i>P</i>;3κ<i>P</i>-dicoppermolybdenum Bis(dichloromethane) Solvate","Acta Crystallographica Section C","1996","52","11","2738","2740","10.1107/S0108270196008608","","","0.71073","MoKα","","","0.045","","","0.051","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005661","7.9572","0.0007","8.2383","0.0004","8.5846","0.0006","110.416","0.005","92.067","0.006","92.165","0.006","526.3","0.07","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N6 Ni O4 -","- C20 H24 N6 Ni O4 -","- C20 H24 N6 Ni O4 -","1","0.5","MU1275","Ülkü, D.; Ercan, F.; Macit, M.; Gülce, A.","Bis[<i>N</i>-(2,6-dimethylphenyl)aminoglyoximato-<i>N</i>,<i>N</i>']nickel(II)","Acta Crystallographica Section C","1996","52","11","2680","2682","10.1107/S0108270196009407","","","0.71073","MoKα","","","0.029","","","0.033","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005662","12.245","0.0012","10.3134","0.0012","18.77","0.003","90","","106.53","0.012","90","","2272.5","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-{N,N,N',N'-tetrakis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-1,2- ethylenediamine}-bis[aquanitratonickel(II)] dinitrate dimethanol solvate.","","- C32 H60 N14 Ni2 O16 -","- C32 H60 N14 Ni2 O16 -","- C64 H120 N28 Ni4 O32 -","2","0.5","MU1285","Veldman, N.; Spek, A. L.; Tabbì, G.; Driessen, W. L.; Reedijk, J.","A Dinuclear Nickel(II) Compound: μ-{<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-1,2-ethylenediamine}-bis[aqua(nitrato-<i>O</i>,<i>O</i>')nickel(II)] Dinitrate Dimethanol Solvate","Acta Crystallographica Section C","1996","52","11","2698","2701","10.1107/S010827019600981X","","","0.71073","MoKα","","0.0637","0.0637","","0.1647","0.1647","","","","1.096","1.02","1.02","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005663","11.216","0.001","14.366","0.002","12.837","0.003","90","","92.03","0.01","90","","2067.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Fe2 -","- C26 H28 Fe2 -","- C104 H112 Fe8 -","4","1","NA1233","Alvarez-Larena, A.; Briansó, J. L.; Piniella, J. F.; Farran, J.; Manríquez, J. M.; Chávez, I.; Oelckers, B.; Molins, E.; Miravitlles, C.","Triple-Decker [Cp*Fe(C~8~H~6~)Fe(C~8~H~7~)]","Acta Crystallographica Section C","1996","52","11","2754","2757","10.1107/S0108270196008037","","","0.71073","MoKα","","0.0593","0.035","","0.0916","0.0886","","","","0.971","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005664","4.783","0.001","16.982","0.006","16.205","0.006","90","","96.82","0.04","90","","1306.9","0.7","295","3","295","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2,5-dichlorophenylhydrazono)-glutaric acid","","- C11 H10 Cl2 N2 O4 -","- C11 H10 Cl2 N2 O4 -","- C44 H40 Cl8 N8 O16 -","4","1","NA1241","Antolić, S.; Kojic-Prodic, B.; Cohen, J. D.","2-(2,5-Dichlorophenylhydrazono)glutaric Acid and 2-(3,5-Dichlorophenylhydrazono)glutaric Acid","Acta Crystallographica Section C","1996","52","11","2832","2835","10.1107/S0108270196008013","","","1.54184","CuKα","","0.1658","0.0549","","0.1432","0.1241","","","","0.835","1.125","1.125","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005665","7.279","0.001","8.805","0.002","11.753","0.002","73.15","0.01","71.27","0.01","71.09","0.01","660.2","0.2","295","3","295","3","","","","","","","","5","P -1","-P 1","2","","2-(3,5-dichlorophenylhydrazono)-glutaric acid","","- C11 H10 Cl2 N2 O4 -","- C11 H10 Cl2 N2 O4 -","- C22 H20 Cl4 N4 O8 -","2","1","NA1241","Antolić, S.; Kojic-Prodic, B.; Cohen, J. D.","2-(2,5-Dichlorophenylhydrazono)glutaric Acid and 2-(3,5-Dichlorophenylhydrazono)glutaric Acid","Acta Crystallographica Section C","1996","52","11","2832","2835","10.1107/S0108270196008013","","","1.54184","CuKα","","0.098","0.0617","","0.1772","0.1647","","","","0.987","1.114","1.114","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005666","8.16","0.002","22.289","0.004","9.461","0.002","90","","96.51","0.03","90","","1709.7","0.6","295","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-[2-(α-Hydrazonomethyl)-3-benzofuranyl]-p-toluene sulfonamide","","- C17 H17 N3 O3 S -","- C17 H17 N3 O3 S -","- C68 H68 N12 O12 S4 -","4","1","NA1246","Bachechi, F.; Coiro, V. M.; Delfini, M.","<i>N</i>-[2-(1-Hydrazonoethyl)-3-benzofuranyl]-<i>p</i>-toluenesulfonamide","Acta Crystallographica Section C","1996","52","11","2915","2917","10.1107/S0108270196006968","","","0.71073","MoKα","","","0.0525","","","0.0593","","","","","1.0785","1.0785","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005667","7.7033","0.0002","8.4943","0.0002","15.4169","0.0005","90","","96.201","0.005","90","","1002.89","0.05","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(-)-(R)-N-[3,4-dihydro-2H-1-benzopyran-2-yl)methyl]- N'-(1,4,5,6-tetrahydro-2-pyrimidyl)-1,3-propanediamine dihydrobromide","","- C17 H28 Br2 N4 O -","- C17 H28 Br2 N4 O -","- C34 H56 Br4 N8 O2 -","2","1","NA1252","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","({-})-(<i>R</i>)-<i>N</i>-[(3,4-Dihydro-2<i>H</i>-1-benzopyran-2-yl)methyl]-<i>N</i>'-(1,4,5,6-tetrahydro-2-pyrimidyl)-1,3-propanediaminium Dibromide","Acta Crystallographica Section C","1996","52","11","2795","2797","10.1107/S010827019600710X","","","1.54184","CuKα","","0.0335","0.0333","","0.0842","0.0842","","","","1.085","1.085","1.085","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005668","10.608","0.007","9.782","0.009","25.999","0.007","90","","90.44","0.04","90","","2698","3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cl2 N2 O2 Ti -","- C26 H34 Cl2 N2 O2 Ti -","- C104 H136 Cl8 N8 O8 Ti4 -","4","1","NA1254","Repo, T.; Klinga, M.; Leskelä, M.; Pietikäinen, P.; Brunow, G.","Dichloro[<i>N</i>,<i>N</i>'-ethylenebis(3-<i>tert</i>-butyl-5-methylsalicylideneiminato)-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>']titanium(IV), [TiCl~2~(C~26~H~34~N~2~O~2~)]","Acta Crystallographica Section C","1996","52","11","2742","2745","10.1107/S010827019600933X","","","0.71073","MoKα","","0.2051","0.0957","","0.1591","0.1226","","","","0.978","1.231","1.231","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005669","10.319","0.002","8.933","0.002","23.976","0.002","90","","94.92","0.02","90","","2202","0.7","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,7-Dimethyl-5-phenyl-2-(3-thenoylaminomethyl)-2,3-dihydro- 1H-1,4-benzodiazepin-4-ium chloride","","- C23 H24 Cl N3 O S -","- C27 H27 Cl N3 O S2 -","- C108 H108 Cl4 N12 O4 S8 -","4","1","NA1255","Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","1,7-Dimethyl-5-phenyl-2-(3-thenoylaminomethyl)-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium Chloride","Acta Crystallographica Section C","1996","52","11","2793","2795","10.1107/S0108270196007962","","","1.54184","CuKα","","0.082","0.0462","","0.1247","0.1236","","","","1.121","1.112","1.112","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005670","7.935","0.001","25.116","0.003","11.081","0.002","90","0","96.4","0.01","90","0","2194.6","0.6","293","3","293","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-Nitro-phenyl)-(1,3,5,8,12-pentaaza-cyclotetradec-3-yl)- -methanone dinitrato copper(II)","","- C16 H26 Cu N8 O9 -","- C16 H26 Cu N8 O9 -","- C64 H104 Cu4 N32 O36 -","4","1","NA1257","Sardone, N.; Licchelli, M.","(4-Nitrophenyl 1,3,5,8,12-pentaazacyclotetradec-3-yl ketone-<i>N</i>^1^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^12^)copper(II) Dinitrate","Acta Crystallographica Section C","1996","52","11","2713","2716","10.1107/S0108270196009183","","","1.54184","CuKα","","0.054","0.05","","","0.039","","","","","1.744","1.744","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005671","28.01","0.01","28.22","0.02","19.24","0.01","107.04","0.06","93.75","0.06","130.71","0.02","10308","14","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- Al2 Er6 H117 Na8 Nb30 O149.5 -","- Al2 Er6 Na8 Nb30 O149.25 -","- Al4 Er12 Na16 Nb60 O298.5 -","2","1","OA1001","Naruke, H.; Yamase, T.","Na~8~H~18~[{Er~3~O(OH)~3~(H~2~O)~3~}~2~Al~2~-(Nb~6~O~19~)~5~].40.5H~2~O","Acta Crystallographica Section C","1996","52","11","2655","2660","10.1107/S0108270196007366","","","0.7107","MoKα","","","0.076","","","0.098","","","","","3.53","3.53","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005672","20.19","0.004","5.388","0.002","22.728","0.003","90","","107.502","0.011","90","","2358","1","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","4-octyloxybiphenyl-4'-yl 4-Methoxybenzoate","","- C28 H32 O4 -","- C28 H32 O4 -","- C112 H128 O16 -","4","1","OA1004","Hori, K.; Nishiura, Y.","4-Octyloxybiphenyl-4'-yl 4-Methoxybenzoate","Acta Crystallographica Section C","1996","52","11","2922","2924","10.1107/S0108270196008517","","","1.5418","CuKα","","0.0505","0.0434","","0.1302","0.1259","","","","1.082","1.084","1.084","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005673","19.368","0.008","24.45","0.01","15.94","0.01","90","","108.72","0.04","90","","7149","6","293","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C51 H104 O46 -","- C51 H49 O45.32 -","- C204 H196 O181.28 -","4","1","PA1216","Rysanek, N.; Le Bas, G.; Villain, F.; Tsoucaris, G.","Inclusion of the Main Pheromone Component of <i>Dacus oleae</i>, 1,7-Dioxaspiro[5,5]undecane, in β-Cyclodextrin","Acta Crystallographica Section C","1996","52","11","2932","2936","10.1107/S0108270196005677","","","1.54184","CuKα","","","0.086","","","0.086","","","","","4.04","4.04","","","","","has coordinates","191097","2020-10-21","18:00:00",""
"2005674","10.661","0.002","5.478","0.002","11.383","0.003","90","","104.57","0.02","90","","643.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4-Dinitro-diphenyl-sulfone","","- C12 H8 N2 O6 S -","- C12 H8 N2 O6 S -","- C24 H16 N4 O12 S2 -","2","1","PA1230","Ellena, J.; Punte, G.; Nudelman, N. S.","2,4-Dinitrophenyl Phenyl Sulfone","Acta Crystallographica Section C","1996","52","11","2929","2932","10.1107/S0108270196008736","","","0.71073","MoKα","","0.0449","0.0371","","0.0866","0.0811","","","","1.137","1.143","1.143","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005675","8.031","0.001","13.161","0.001","14.477","0.001","90","","90","","90","","1530.2","0.2","293","2","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,6-dibenzoylhydroquinone","","","- C20 H14 O4 -","- C20 H14 O4 -","- C80 H56 O16 -","4","1","PA1231","Biradha, K.; Desiraju, G. R.; Carrell, H. L.; Katz, A. K.","2,6-Dibenzoylhydroquinone","Acta Crystallographica Section C","1996","52","11","2839","2841","10.1107/S0108270196007615","","","0.71073","MoKα","","0.0575","0.0526","","0.1441","0.1335","","","","0.711","0.709","0.709","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005676","18.15","0.009","17.99","0.009","17.365","0.006","90","","97.39","0.03","90","","5623","4","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[13,16,19,22,25,28,42,45,48,51,54,57-dodecaoxahexacyclo[28.28.1.1^11,40^.- 0^5,58^.0^7,12^.0^29,34^.0^36,41^]hexaconta-1(58),2,4,7,9,11,29,31,33,36,38,40- dodecaene](diiodo)dicaesium","","- C52 H66 Cs2 I2 N2 O12 -","- C52 H66 Cs2 I2 N2 O12 -","- C208 H264 Cs8 I8 N8 O48 -","4","0.5","PA1233","Thuéry, P.; Nierlich, M.; Lamare, V.; Dozol, J.-F.; Asfari, Z.; Vicens, J.","Caesium Iodide Complex of 1,3-Calix[4]-<i>bis</i>-crown-6","Acta Crystallographica Section C","1996","52","11","2729","2731","10.1107/S0108270196006786","","","0.71073","MoKα","","0.032","0.025","","0.04","0.038","","","","1.791","1.879","1.879","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005677","7.267","0.002","17.837","0.007","12.975","0.007","90","","98.78","0.03","90","","1662.1","1.2","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-spirobitricyclo[3.3.1.1^3,7^]decanyl acetate","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","PA1240","Vaissermann, J.; Lomas, J. S.","A Highly Strained Tertiary Acetate: 2,2'-Spirobiadamant-1-yl Acetate","Acta Crystallographica Section C","1996","52","11","2837","2839","10.1107/S0108270196007639","","","0.71076","MoKα","","","0.0422","","","0.0405","","","","","3.55","3.55","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005678","11.664","0.004","17.476","0.006","12.408","0.004","90","","94.81","0.03","90","","2520.3","1.5","293","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H26 O4.5 -","- C32.48 H24 O4.48 -","- C129.92 H96 O17.92 -","4","1","PT1008","Kumar, S. A.; Mathew, T.; Das, S.; Rath, N. P.; George, M. V.","Two Photoproducts Derived from 11,12-Dibenzoyl-9,10-dihydro-9,10-dimethoxy-9,10-ethenoanthracene","Acta Crystallographica Section C","1996","52","11","2797","2800","10.1107/S0108270196005197","","","0.71073","MoKα","","0.1571","0.0435","","0.0816","0.0684","","","","0.777","1.264","1.264","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005679","17.513","0.005","14.897","0.006","19.587","0.008","90","","90","","90","","5110","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C33 H28 O5 -","- C33 H28 O5 -","- C264 H224 O40 -","8","1","PT1008","Kumar, S. A.; Mathew, T.; Das, S.; Rath, N. P.; George, M. V.","Two Photoproducts Derived from 11,12-Dibenzoyl-9,10-dihydro-9,10-dimethoxy-9,10-ethenoanthracene","Acta Crystallographica Section C","1996","52","11","2797","2800","10.1107/S0108270196005197","","","0.71073","MoKα","","0.0689","0.0389","","0.1041","0.0975","","","","0.97","1.222","1.222","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005680","8.181","0.002","4.696","0.001","8.563","0.002","90","","111.39","0.03","90","","306.31","0.14","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","sulfuric acid","dihydrogen sulfate","","- H2 O4 S -","- H2 O4 S -","- H8 O16 S4 -","4","0.5","SK1004","Kemnitz, E.; Werner, C.; Trojanov, S.","Reinvestigation of Crystalline Sulfuric Acid and Oxonium Hydrogensulfate","Acta Crystallographica Section C","1996","52","11","2665","2668","10.1107/S0108270196006749","","","0.71073","MoKα","","0.0231","0.0212","","0.0623","0.0576","","","","1.139","1.155","1.155","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005681","7.077","0.001","6.955","0.001","8.15","0.002","90","","106.18","0.03","90","","385.26","0.14","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","sulfuric acid monohydrate","oxonium hydrogen sulfate","","- H4 O5 S -","- H4 O5 S -","- H16 O20 S4 -","4","1","SK1004","Kemnitz, E.; Werner, C.; Trojanov, S.","Reinvestigation of Crystalline Sulfuric Acid and Oxonium Hydrogensulfate","Acta Crystallographica Section C","1996","52","11","2665","2668","10.1107/S0108270196006749","","","0.71073","MoKα","","0.0374","0.0332","","0.1075","0.0858","","","","1.126","1.145","1.145","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005682","21.141","0.005","9.61","0.003","13.98","0.004","90","","107.33","0.08","90","","2711.3","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4-nitrobenzyl) oximinoether] hexahydroazepine 2,3-dione.","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C104 H120 N24 O32 -","8","1","SK1016","Tranqui, D.; Elfrom, H.; Pera, H.; Leclerc, G.","3-(4-Nitrobenzyloximino)hexahydroazepin-2-one","Acta Crystallographica Section C","1996","52","11","2880","2882","10.1107/S0108270196007688","","","1.5418","CuKα","","0.0517","0.0406","","0.1077","0.1008","","","","0.438","0.55","0.55","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005683","13.078","0.01","13.078","0.01","11.871","0.01","90","","90","","90","","2030","3","293","2","293","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","(tetraethylammonium,tetramethylammonium)-tetrachlorocuprate","","- C12 H32 Cl4 Cu N2 -","- C12.5 H33 Cl4 Cu N2 -","- C50 H132 Cl16 Cu4 N8 -","4","0.5","SK1018","Mahoui, A.; Lapasset, J.; Moret, J.; Saint Grégoire, P.","Tetraethylammonium Tetramethylammonium Tetrachlorocuprate(II), [(C~2~H~5~)~4~N][(CH~3~)~4~N][CuCl~4~]","Acta Crystallographica Section C","1996","52","11","2674","2676","10.1107/S0108270196009031","","","1.5418","CuKα","","0.0761","0.0702","","0.1763","0.1716","","","","1.097","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005684","7.603","0.001","13.634","0.002","13.405","0.002","90","","90","","90","","1389.6","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","cis-aconitic acid","1-propene-cis(1,2),3-tricarboxylic acid","","- C6 H6 O6 -","- C6 H6 O6 -","- C48 H48 O48 -","8","1","SK1040","Nagel, N.; Endruschat, U.; Bock, H.","<i>cis</i>-Aconitic Acid at 150K","Acta Crystallographica Section C","1996","52","11","2912","2915","10.1107/S0108270196008220","","","0.71073","MoKα","","0.0505","0.0375","","0.0995","0.0917","","","","1.029","1.059","1.059","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005685","8.502","0.002","9.653","0.003","11.767","0.002","72.01","","74.57","","72.74","","860.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","acetyloxymethyl 4-chloro-N-furfuryl-5-sulfamoylanthranilate","","- C15 H15 Cl N2 O7 S -","- C15 H15 Cl N2 O7 S -","- C30 H30 Cl2 N4 O14 S2 -","2","1","SX1003","González, O. A.; Mombrú, A. W.; Suescun, L. P.; Mariezcurrena, R. A.; Manta, E.; Prandi, C.","Acetoxymethyl 4-Chloro-<i>N</i>-furfuryl-5-sulfamoylanthranilate, an Absorption Furosemide Prodrug","Acta Crystallographica Section C","1996","52","11","2875","2878","10.1107/S0108270196008360","","","0.71073","MoKα","","0.1086","0.0511","","0.1437","0.1179","","","","0.93","1.088","1.088","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005686","6.936","0.002","9.747","0.003","12.057","0.001","101.81","0.01","102.65","0.02","112.03","0.01","699.2","0.3","293","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 Cl Cu N4 O6 -","- C11 H14 Cl Cu N4 O6 -","- C22 H28 Cl2 Cu2 N8 O12 -","2","1","SZ1007","Chen, Z.-N.; Jun, Q.; Tang, W.-X.; Chen, J.; Zheng, P.-J.","A μ-Oxamidato-Bridged Dinuclear Copper(II) Complex","Acta Crystallographica Section C","1996","52","11","2752","2754","10.1107/S0108270196005793","","","0.71073","MoKα","","","0.026","","","0.028","","","","","0.66","0.66","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005687","9.078","0.002","14.909","0.003","16.576","0.003","90","","91.73","0.03","90","","2242.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 N O2 -","- C31 H19 N O2 -","- C124 H76 N4 O8 -","4","1","SZ1023","Muneer, M.; George, M. V.; Rath, N. P.","The Photoproduct Derived from 9-Cyanodibenzobarrelene","Acta Crystallographica Section C","1996","52","11","2800","2802","10.1107/S0108270196007238","","","1.54178","CuKα","","0.0539","0.0423","","0.1184","0.1098","","","","1.304","1.378","1.378","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:27",""
"2005688","9.43","0.001","10.007","0.001","10.023","0.002","90.29","0.01","109.01","0.01","104.1","0.1","863.6","0.5","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N4 S -","- C21 H16 N4 S -","- C42 H32 N8 S2 -","2","1","TA1008","Zhang, Z.-Y.; Zou, N.; Zhu, Y.; Zhao, L.; Li, M.","Studies on Condensed Heterocyclic Compounds. XIII. 6-(4-Methylphenyl)-3-(1-naphthylmethylene)-<i>s</i>-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section C","1996","52","11","2787","2789","10.1107/S0108270196001746","","","1.5418","CuKα","","","0.069","","","0.072","","","","","0.91","0.91","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005689","12.837","0.003","18.081","0.004","11.747","0.004","96.49","0.02","106.84","0.03","107.77","0.03","2423.7","1.4","298","","298","","","","","","","","","7","P -1","-P 1","2","","Bis[S,S'(-)-trans-3,3'-(1,2-cyclohexandiyldinitrilo)-bis(2-methylpropane-2- thialato)nickel(II)] [(μ-iodocopper(I)-κ^2^S^1^,S^2'^)(μ-iodocopper(I)-κ^2^S^2^,S^1'^)(μ- iodocopper(I)-κ^2^S^2^,S^2'^)].diacetonitrile","","- C32 H62 Cu3 I3 N6 Ni2 S4 -","- C32 H62 Cu3 I3 N6 Ni2 S4 -","- C64 H124 Cu6 I6 N12 Ni4 S8 -","2","1","TA1057","Fox, S.; Stibrany, R. T.; Potenza, J. A.; Schugar, H. J.","A Mixed-Metal Pentanuclear Complex Containing Linked Ni^II^N~2~S~2~ and Cu^I^I Units","Acta Crystallographica Section C","1996","52","11","2731","2734","10.1107/S0108270196001308","","","0.71073","MoKα","","5.25","0.0388","","","0.047","","","","","1.6","1.6","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2005690","14.88","0.005","7.044","0.004","16.836","0.008","90","","110.93","0.05","90","","1648.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","mer-triaquaO,O'chloranilatoiron(III)","","- C6 H16 Cl3 Fe O12 -","- C6 H16 Cl3 Fe O12 -","- C24 H64 Cl12 Fe4 O48 -","4","1","TA1074","Abrahams, B. F.; Hoskins, B. F.; Robson, R.","<i>mer</i>-Triaqua(chloranilato-<i>O</i>,<i>O</i>')chloroiron(III) Pentahydrate","Acta Crystallographica Section C","1996","52","11","2766","2768","10.1107/S010827019600577X","","","0.71069","MoKα","","0.056","0.0345","","0.074","0.0663","","","","1.027","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005691","8.5879","0.0007","17.461","0.0008","7.893","0.001","90","","113.82","0.01","90","","1082.76","0.19","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C40 H52 N4 O20 -","4","1","TA1075","Zhu, Y.; Jia, Z.-J.; Shi, J.-G.; Wang, H.-Q.","A Pyridine-2,6(1<i>H</i>,3<i>H</i>)-dione Alkaloid","Acta Crystallographica Section C","1996","52","11","2791","2793","10.1107/S010827019600131X","","","1.54184","CuKα","","","0.054","","","0.055","","","","","0.801","0.801","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005692","8.856","0.001","24.985","0.002","10.507","0.001","90","","90","","90","","2324.9","0.4","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6(1H)-one Methanol Solvate","","- C11 H15 N3 O2 -","- C11 H14 N3 O2 -","- C88 H112 N24 O16 -","8","1","TA1096","Collins, D. J.; Hughes, T. C.; Johnson, W. M.; Mackay, M. F.","2-Methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one Methanol Solvate and 4-Methyl-3-phenyl-4,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one","Acta Crystallographica Section C","1996","52","11","2865","2868","10.1107/S0108270196008335","","","1.5418","CuKα","","","0.05","","","0.131","","","","","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005693","6.6707","0.0005","7.0151","0.0005","20.722","0.001","90","","98.71","0.01","90","","958.52","0.11","291","2","293","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methyl-3-phenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C40 H44 N12 O4 -","4","1","TA1096","Collins, D. J.; Hughes, T. C.; Johnson, W. M.; Mackay, M. F.","2-Methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one Methanol Solvate and 4-Methyl-3-phenyl-4,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one","Acta Crystallographica Section C","1996","52","11","2865","2868","10.1107/S0108270196008335","","","1.5418","CuKα","","","0.037","","","0.093","","","","","1.172","1.172","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005694","13.841","0.002","9.308","0.003","26.308","0.006","90","0.02","90","0.02","90","0.02","3389.3","1.4","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 N2 O5 S -","- C16 H22 N2 O5 S -","- C128 H176 N16 O40 S8 -","8","1","TA1098","White, J. M.; Giordano, J.; Green, A. J.","<i>trans</i>-4-<i>tert</i>-Butylcyclohexyl 2,4-Dinitrobenzenesulfenate","Acta Crystallographica Section C","1996","52","11","2783","2785","10.1107/S0108270196008347","","","1.5418","CuKα(Ni-filtered)","","0.0552","0.0384","","0.1001","0.0898","","","","1.028","1.052","1.052","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005695","6.07","0.002","12.824","0.003","18.457","0.005","90","","93.14","0.03","90","","1434.6","0.7","151","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Methyl 2-benzoyloxy-3-oxo-3-phenylpropanoate","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","TA1103","Shaw, J. P.; Tan, E. W.; Blackman, A. G.","Methyl 2-Benzoyloxy-3-oxo-3-phenylpropanoate","Acta Crystallographica Section C","1996","52","11","2883","2885","10.1107/S0108270196008323","","","0.71073","MoKα","","0.0574","0.0332","","0.0665","0.0627","","","","0.831","0.993","0.993","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005696","5.197","0.002","16.097","0.002","18.718","0.002","90","","90","","90","","1565.9","0.7","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 N2 O4 S -","- C11 H18 N2 O4 S2 -","- C44 H72 N8 O16 S8 -","4","1","VJ1038","Mitra, S. N.; Govindasamy, L.; Subramanian, E.","<small>L</small>-Leucyl-<small>L</small>-alanine Dimethyl Sulfoxide Solvate","Acta Crystallographica Section C","1996","52","11","2871","2873","10.1107/S0108270196007743","","","1.54184","CuKα","","","0.075","","","0.083","","","","","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005697","12.202","0.001","12.364","0.002","13.29","0.002","79.8","0.01","88.9","0.01","82.6","0.01","1956.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,3-diferrocenyl-2-buten-1-one","","- C48 H45 Fe4 O2.5 -","- C48 H44 Fe4 O2.5 -","- C96 H88 Fe8 O5 -","2","1","AB1313","Erasmus, J. J. C.; Lamprecht, G. J.; Swarts, J. C.; Roodt, A.; Oskarsson, Å.","(<i>E</i>)-1,3-Diferrocenyl-2-buten-1-one‒Water (4/1)","Acta Crystallographica Section C","1996","52","12","3000","3002","10.1107/S0108270196004258","","","0.71073","MoKα","","0.0739","0.0398","","0.1203","0.0951","","","","1.11","1.119","1.119","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005698","10.075","0.002","10.075","0.002","10.075","0.002","90","","90","","90","","1022.7","0.2","293","","","","","","","","","","Synthetic","4","P 21 3","P 2ac 2ab 3","198","","","","- Be3 F12 K2 Mn2 -","- Be3 F12 K2 Mn2 -","- Be12 F48 K8 Mn8 -","4","0.333333","","Guelylah A; Breczewski T; Madariaga G","A New Langbeinite: Dipotassium Dimanganese Tetrafluoroberyllate","Acta Crystallographica C","1996","52","","2951","2954","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2005699","10.421","0.001","10.421","0.001","10.421","0.001","90","","90","","90","","1131.69","0.19","295","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Cd2 O12 S3 Tl2 -","- Cd2 O12 S3 Tl2 -","- Cd8 O48 S12 Tl8 -","4","0.333333","AB1353","Guelylah, A.; Madariaga, G.; Breczewski, T.","Langbeinite-Type Cubic Dithallium Dicadmium Sulfate","Acta Crystallographica Section C","1996","52","12","2954","2956","10.1107/S0108270196008815","","","0.71073","MoKα","","","0.051","","","0.04","","","","","1.412","1.412","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005700","6.245","0.002","20.797","0.002","6.7034","0.0014","90","","105.42","0.02","90","","839.3","0.3","293","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H26 N2 O9 Pt -","- C12 H26 N2 O9 Pt -","- C24 H52 N4 O18 Pt2 -","2","1","AB1376","Yuge, H.; Miyamoto, T. K.","(<i>trans</i>-1<i>R</i>,2<i>R</i>-Cyclohexanediamine-<i>N</i>,<i>N</i>')(<small>L</small>-ascorbato-<i>C</i>^2^,<i>O</i>^5^)platinum(II)‒Water (1/3)","Acta Crystallographica Section C","1996","52","12","3002","3005","10.1107/S0108270196009493","","","0.71069","MoKα","","0.0327","0.0283","","0.0652","0.0638","","","","1.17","1.188","1.188","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005701","10.029","0.001","11.051","0.001","13.794","0.001","71.81","0.01","73.87","0.01","73.61","0.01","1362.9","0.2","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Cl7 N4 O P4 -","- C15 H23 Cl7 N4 O P4 -","- C30 H46 Cl14 N8 O2 P8 -","2","1","AB1378","Hökelek, T.; Kiliç, A.; Begeç, S.; Kiliç, Z.; Yildiz, M.","2-(2,6-Di-<i>tert</i>-butyl-4-methylphenoxy)-2,4,4,6,6,8,8-heptachlorocyclo-2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraphosphazatetraene","Acta Crystallographica Section C","1996","52","12","3243","3246","10.1107/S0108270196009420","","","0.71073","MoKα","","","0.033","","","0.043","","","","","1.45","1.45","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005702","6.99","0.003","13.887","0.004","16.389","0.003","90","","92.47","0.04","90","","1589.4","0.9","294","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N O5 P -","- C15 H20 N O5 P -","- C60 H80 N4 O20 P4 -","4","1","AB1384","Tahir, M. N.; Ülkü, D.; Yilmaz, H.; Nazir, H.","Ethyl {[<i>N</i>-(2-Hydroxyethyl)amino](2-hydroxy-1-naphthyl)methyl}phosphonate","Acta Crystallographica Section C","1996","52","12","3133","3135","10.1107/S0108270196009304","","","0.71073","MoKα","","","0.049","","","0.054","","","","","1.24","1.24","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005703","8.397","0.001","6.083","0.001","9.671","0.001","90","","111.53","0.01","90","","459.52","0.11","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4,6-Trinitro-1,3,5-benzenetriol","","- C6 H3 N3 O9 -","- C6 H3 N3 O9 -","- C12 H6 N6 O18 -","2","1","AB1389","Wolff, J. J.; Gredel, F.; Irngartinger, H.; Dreier, T.","Trinitrophloroglucinol","Acta Crystallographica Section C","1996","52","12","3225","3227","10.1107/S0108270196009523","","","0.71073","MoKα","","0.048","0.037","","","0.047","","","","","2.3","2.3","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005704","14.945","0.003","11.416","0.002","9.674","0.002","90","","105.03","0.03","90","","1594","0.6","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H22 Cl2 N8 O2 -","- C7 H22 Cl2 N8 O2 -","- C28 H88 Cl8 N32 O8 -","4","1","AB1391","Koskinen, J.; Koskinen, M.; Mutikainen, I.; Mannfors, B.; Elo, H.","Ethylmethylglyoxal Bis(amidinohydrazonium) Dichloride–Water (1/2)","Acta Crystallographica Section C","1996","52","12","3167","3169","10.1107/S0108270196009535","","","0.71073","MoKα","","0.1126","0.0696","","0.2017","0.1666","","","","0.944","1.025","1.025","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005705","10.745","0.001","13.546","0.002","14.3","0.002","90","","90","","90","","2081.4","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[1(1,2,3,3a,6a-η)-1,4-dihydropentalenyl]-μ-[1(1,2,3,3a,6a-η): 2(3a,4,5,6,6a-η)]pentalene-[2(η^5^)-1,2,3,4,5-pentamethylcyclopentadienyl]- cobaltiron","","- C26 H28 Co Fe -","- C26 H28 Co Fe -","- C104 H112 Co4 Fe4 -","4","1","AB1392","Miravitlles, C.; Molins, E.; Maniukiewicz, W.; Mas, M.; Manríquez, J. M.; Chávez, I.; Oelckers, B.; Alvarez-Larena, A.; Briansó, J. L.","Triple-Decker Pentalene Complex of Iron and Cobalt","Acta Crystallographica Section C","1996","52","12","3047","3049","10.1107/S0108270196009961","","","0.71069","MoKα","","0.0882","0.0335","","0.0878","0.0644","","","","0.978","1.116","1.116","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005706","5.268","0.005","9.826","0.007","16.572","0.008","90","","96.48","0.05","90","","852.3","1.1","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,4'-[1,6-Hexanediylbis(oxy)]-bisbenzaldehyde","","- C20 H22 O4 -","- C20 H22 O4 -","- C40 H44 O8 -","2","0.5","AB1393","Artzner, F.; Albouy, P.-A.; Berruyer, G.; Veber, M.; Mérienne, C.; Robert, F.","4,4'-[1,6-Hexanediylbis(oxy)]bisbenzaldehyde","Acta Crystallographica Section C","1996","52","12","3234","3236","10.1107/S0108270196009973","","","0.71069","MoKα","","","0.032","","","0.03","","","","","2.92","2.92","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005707","36.429","0.003","10.703","0.001","16.53","0.001","90","","90","","90","","6445","0.9","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C53 H70 B18 Cl2 P4 Rh2 S2 -","- C53 H68 B18 Cl2 P4 Rh2 S2 -","- C212 H272 B72 Cl8 P16 Rh8 S8 -","4","1","AB1398","Rosair, G. M.; Welch, A. J.; Weller, A. S.","8-[1,2-Bis(diphenylphosphino)ethane]-9,10-μ-hydrido-8-rhoda-7-thia-<i>nido</i>-undecaborane(10)‒Dichloromethane (2/1)","Acta Crystallographica Section C","1996","52","12","3020","3024","10.1107/S0108270196010748","","","0.71073","MoKα","","0.0858","0.0529","","0.1406","0.1051","","","","1.104","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005708","10.572","0.011","11.07","0.01","17.109","0.014","97.05","0.07","101.34","0.09","108.38","0.09","1826","3","193","1","193","1","","","","","","","","5","P -1","-P 1","2","Bis(dianilinopyridine)tantalumtrichloride","Trichlorobis[2,6-di(phenylamino)pyridinato-N,N')tantalum(V)","","- C41 H36 Cl3 N6 Ta -","- C41 H36 Cl3 N6 Ta -","- C82 H72 Cl6 N12 Ta2 -","2","1","AB1399","Polamo, M.","Trichlorobis[2,6-di(phenylamino)pyridinato-<i>N</i>,<i>N</i>']tantalum(V) Toluene Solvate (1/1)","Acta Crystallographica Section C","1996","52","12","2977","2980","10.1107/S0108270196011328","","","0.71073","MoKα","","0.0685","0.068","","0.1908","0.1902","","","","1.152","1.162","1.162","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005709","11.505","0.002","11.785","0.002","19.95","0.003","74.93","0.02","78.32","0.02","87.122","0.013","2557.8","0.8","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","Ferrocene-1,1'-diylbis[bis(4-methoxyphenyl)methanol]-methanol (3/2)","","- C40.66667 H40.66667 Fe O6.66667 -","- C40.6667 H40.6667 Fe O6.66667 -","- C122 H122 Fe3 O20 -","3","1.5","AB1403","Bell, W.; Ferguson, G.; Glidewell, C.","A Paucity of Hydrogen Bonds in Ferrocene-1,1'-diylbis[bis(4-methoxyphenyl)methanol]‒ Methanol (3/2)","Acta Crystallographica Section C","1996","52","12","3009","3013","10.1107/S010827019601075X","","","0.7107","MolybdenumKα","","0.2113","0.0686","","0.127","0.1035","","","","0.86","1.277","1.277","","","","","has coordinates","196234","2020-10-21","18:00:00",""
"2005710","9.45","0.002","24.456","0.003","9.484","0.002","90","","103.607","0.013","90","","2130.3","0.7","294","1","294","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-Dihydroxybenzophenone","","- C13 H10 O3 -","- C13 H9.722 O3 -","- C104 H77.776 O24 -","8","2","AB1407","Ferguson, G.; Glidewell, C.","Two- and Three-Dimensional Hydrogen-Bonding Networks in the Structures of 4,4'-Dihydroxybenzophenone and 4,4'-Thiodiphenol","Acta Crystallographica Section C","1996","52","12","3057","3062","10.1107/S0108270196011377","","","0.7107","MolybdenumKα","","0.2265","0.07","","0.2188","0.1809","","","","0.917","1.454","1.454","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005711","5.5808","0.0008","21.128","0.003","8.8006","0.0012","90","","93.192","0.01","90","","1036.1","0.3","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Thiodiphenol","","- C12 H10 O2 S -","- C12 H10 O2 S -","- C48 H40 O8 S4 -","4","1","AB1407","Ferguson, G.; Glidewell, C.","Two- and Three-Dimensional Hydrogen-Bonding Networks in the Structures of 4,4'-Dihydroxybenzophenone and 4,4'-Thiodiphenol","Acta Crystallographica Section C","1996","52","12","3057","3062","10.1107/S0108270196011377","","","0.7107","MolybdenumKα","","0.2068","0.0472","","0.1044","0.0837","","","","0.825","1.197","1.197","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:27",""
"2005712","5.6703","0.0005","11.4012","0.0012","11.6108","0.0013","100.619","0.013","92.757","0.007","96.479","0.008","731.22","0.13","294","1","294","1","","","","","","","","5","P -1","-P 1","2","Piperazine–4,4'-sulfonyldiphenol (1/2)","piperazin-1,4-diium di(4,4'-sulfonyldiphenolate) .","","- C28 H30 N2 O8 S2 -","- C28 H30 N2 O8 S2 -","- C28 H30 N2 O8 S2 -","1","0.5","AB1418","Coupar, P. I.; Ferguson, G.; Glidewell, C.","Piperazine–4,4'-Sulfonyldiphenol (1/2): a Self-Assembled Channel Structure","Acta Crystallographica Section C","1996","52","12","3052","3055","10.1107/S010827019601133X","","","0.7107","MolybdenumKα","","0.0951","0.0531","","0.1416","0.1276","","","","0.981","1.127","1.127","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005713","10.689","0.001","11.577","0.001","12.355","0.001","117.86","0.01","94.35","0.01","100.75","0.01","1304.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,2,3,4-Tetraphenyl-5-(4-pyridyl)bicyclo[2.2.1]hept-2-ene-7-one","","- C36 H27 N O -","- C36 H27 N O -","- C72 H54 N2 O2 -","2","1","BK1217","Wheeler, K. A.; Carrow, C. J.","A Bicyclo[2.2.1]heptenone System","Acta Crystallographica Section C","1996","52","12","3183","3185","10.1107/S0108270196009821","","","0.71073","MoKα","","0.149","0.0589","","0.142","0.109","","","","1.03","1.12","1.12","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005714","14.438","0.002","14.508","0.005","16.827","0.001","73.89","0.02","68.23","0.01","87.44","0.02","3138.1","1.3","294","","294","","","","","","","","","4","P -1","-P 1","2","","2,4,6-tri-O-benzyl-myo-inositol 1,3,5-tris(dibenzyl-phosphate)","","- C69 H69 O15 P3 -","- C69 H69 O15 P3 -","- C138 H138 O30 P6 -","2","1","BK1235","Graingeot, V.; Brigando, C.; Faure, B.; Benlian, D.","2,4,6-Tri-<i>O</i>-benzyl-<i>myo</i>-inositol 1,3,5-Tris(dibenzylphosphate)","Acta Crystallographica Section C","1996","52","12","3229","3232","10.1107/S0108270196010037","","","0.71073","MoKα","","0.055","0.05","","","0.066","","","","","2.18","2.18","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005715","10.02","0.003","15.493","0.004","13.851","0.005","90","","93.81","0.03","90","","2145.5","1.2","293","2","243","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(N,N,N',N'-tetramethylethylenediamine)-1,1,3,3-tetrakis(trifluoromethyl) -2-oxo-propanediolato copper(II)","","- C15 H19 Cu F12 N2 O3 -","- C15 H19 Cu F12 N2 O3 -","- C60 H76 Cu4 F48 N8 O12 -","4","1","BK1239","George, C.; Purdy, A. P.","[2,2'-Oxybis(1,1,1,3,3,3-hexafluoro-2-propanolato-<i>O</i>)](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>,<i>N</i>')copper(II) Hemibenzene Solvate","Acta Crystallographica Section C","1996","52","12","2987","2989","10.1107/S0108270196010700","","","0.71073","MoKα","","0.104","0.052","","0.125","0.1017","","","","1.03","1.076","1.076","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005716","18.104","0.003","7.6912","0.0011","17.6","0.003","90","","93.687","0.007","90","","2445.6","0.7","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-Diaqua-bis(2,2'-bipyrimidine-N,N')cobalt(II) Diperchlorate Dihydrate","","- C16 H20 Cl2 Co N8 O12 -","- C16 H20 Cl2 Co N8 O12 -","- C64 H80 Cl8 Co4 N32 O48 -","4","0.5","BK1247","Brunzelle, J.; Fitch, A.; Wang, Y.; Pavkovic, S. F.","<i>cis</i>-Diaquabis(2,2'-bipyrimidine-<i>N</i>,<i>N</i>')cobalt(II) Diperchlorate Dihydrate, [Co(C~8~H~6~N~4~)~2~(H~2~ O)~2~](ClO~4~)~2~.2H~2~O","Acta Crystallographica Section C","1996","52","12","2984","2987","10.1107/S0108270196010426","","","0.7107","MoKα","","0.0392","0.034","","0.102","0.0988","","","","1.06","1.115","1.115","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005717","5.655","0.001","12.248","0.002","4.736","0.001","99.54","0.01","106.34","0.01","96.27","0.01","306.19","0.1","173","","173","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H18 N2 O5 -","- C12 H18 N2 O5 -","- C12 H18 N2 O5 -","1","1","BK1257","Ojala, W. H.; Gleason, W. B.","Mannose Phenylhydrazone, an Acyclic Monosaccharide Derivative","Acta Crystallographica Section C","1996","52","12","3188","3190","10.1107/S0108270196009882","","","1.5418","CuKα","","","0.027","","","0.033","","","","","2.46","2.46","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005718","10.4304","0.0003","10.8912","0.0009","15.8159","0.0015","72.231","0.007","72.719","0.011","82.798","0.007","1632.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Nitrato(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III)","","- C36 H44 Fe N5 O3 -","- C36 H44 Fe N5 O3 -","- C72 H88 Fe2 N10 O6 -","2","1","BK1259","Ellison, M. K.; Shang, M.; Kim, J.; Scheidt, W. R.","Nitrato(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III)","Acta Crystallographica Section C","1996","52","12","3040","3043","10.1107/S0108270196010062","","","0.71073","MoKα","","0.0932","0.06","","0.1548","0.134","","","","1.027","1.071","1.071","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005719","10.058","0.001","4.971","0.002","22.924","0.002","90","","97.897","0.009","90","","1135.3","0.5","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2-naphthylbutyric acid","4-(2-naphthyl)butanoic acid","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","BK1262","Dobson, A. J.; Gerkin, R. E.","4-(2-Naphthyl)butanoic Acid","Acta Crystallographica Section C","1996","52","12","3083","3086","10.1107/S0108270196009547","","","0.71073","MoKα","","","0.04","","","0.048","","","","","1.63","1.63","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005720","5.737","0.002","11.622","0.003","20.827","0.005","90","","93.61","0.02","90","","1385.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 B P -","- C12 H26 B P -","- C48 H104 B4 P4 -","4","1","BK1263","Day, M. W.; Mohr, B.; Grubbs, R. H.","(Dicyclohexylphosphino)borane, BH~3~PH(C~6~H~11~)~2~, a Precursor to Water-Soluble Phosphine Ligands","Acta Crystallographica Section C","1996","52","12","3106","3108","10.1107/S0108270196010050","","","0.71073","MoKα","","0.055","0.043","","0.092","0.087","","","","2.29","2.48","2.48","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005721","11.4","0.002","7.135","0.001","13.113","0.002","90","","114.49","0.01","90","","970.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triaqua(oxydiacetato-O,O',O'')strontium(II) Monohydrate","","- C4 H12 O9 Sr -","- C4 H12 O9 Sr -","- C16 H48 O36 Sr4 -","4","1","BK1264","Baggio, R.; Perec, M.; Garland, M. T.","Triaqua(oxydiacetato-<i>O</i>,<i>O</i>',<i>O</i>'')strontium(II) Monohydrate","Acta Crystallographica Section C","1996","52","12","2996","2999","10.1107/S0108270196010049","","","0.71073","MoKα","","0.0501","0.034","","0.085","0.0771","","","","1.029","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005722","40.877","0.002","6.96","0.003","7.371","0.002","90","","90","","90","","2097.1","1.1","296","","296","","","","","","","","","3","P b c n","-P 2n 2ab","60","3-phenylsalicylic acid","2-hydroxybiphenyl-3-carboxylic acid","","- C13 H10 O3 -","- C13 H10 O3 -","- C104 H80 O24 -","8","1","BK1266","Dobson, A. J.; Gerkin, R. E.","2-Hydroxybiphenyl-3-carboxylic Acid (3-Phenylsalicylic Acid)","Acta Crystallographica Section C","1996","52","12","3088","3091","10.1107/S0108270196010530","","","0.71073","MoKα","","","0.037","","","0.046","","","","","1.79","1.79","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005723","7.317","0.0001","17.3766","0.0001","19.7908","0.0003","90","","98.025","0.001","90","","2491.65","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(2,6-diacetylpyridinedi(benzoic acid hydrazone)nitratocobalt(II) nitrate","","- C23 H23 Co N7 O9 -","- C23 H23 Co N7 O9 -","- C92 H92 Co4 N28 O36 -","4","1","BK1270","Abboud, K. A.; Palenik, R. C.; Palenik, G. J.","Aqua[2,6-diacetylpyridinedi(benzoic acid hydrazone)]nitratocobalt(II) Nitrate at 173K","Acta Crystallographica Section C","1996","52","12","2994","2996","10.1107/S0108270196011407","","","0.71073","MoKα","","0.0406","0.034","","0.095","0.0879","","","","1.04","1.055","1.055","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005724","10.659","0.005","15.827","0.006","17.315","0.003","65.22","0.02","81.6","0.02","81.69","0.03","2612.3","1.7","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","9,10-bis(1-pyridylmethyl)anthracene dichloride dimethanol water solvate","","- C28 H32 Cl2 N2 O3 -","- C28 H32 Cl2 N2 O3 -","- C112 H128 Cl8 N8 O12 -","4","2","BK1271","Bryan, J. C.; Gakh, A. A.; Sachleben, R. A.","9,10-Bis(1-pyridiniomethyl)anthracene Dichloride–Methanol–Water (1/2/1)","Acta Crystallographica Section C","1996","52","12","3091","3093","10.1107/S0108270196011432","","","0.71073","MoKα","","0.075","0.038","","0.118","0.101","","","","1.01","1.07","1.07","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005725","12.529","0.004","12.529","0.004","12.635","0.008","90","","90","","90","","1983.4","1.5","233","2","293","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C19 H14 Cl2 Mn2 O6 -","- C19 H12 Cl2 Mn2 O6 -","- C76 H48 Cl8 Mn8 O24 -","4","0.25","BK1272","Utz, T. L.; Geib, S. J.; Cooper, N. J.","Solvate-Dependent Polymorphism: Crystallization of [{Mn(CO)~3~}~2~{μ-(η^5^-C~6~H~6~-η^5^-C~6~H~6~)}] from CH~2~Cl~2~ as a Mono-Solvate in the Rare Tetragonal Space Group <i>P</i>4~2~/<i>mbc</i>","Acta Crystallographica Section C","1996","52","12","2992","2994","10.1107/S0108270196010815","","","0.71073","MoKα","","0.0835","0.052","","0.155","0.1253","","","","1.062","1.092","1.092","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005726","10.413","0.002","15.7825","0.0013","15.503","0.002","90","","99.513","0.007","90","","2512.8","0.6","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9,10-bis(7-fluoro-2,5-dioxaheptyl)triptycene","","","- C30 H32 F2 O4 -","- C30 H32 F2 O4 -","- C120 H128 F8 O16 -","4","1","BK1273","Gakh, A. A.; Bryan, J. C.; Sachleben, R. A.","9,10-Bis(7-fluoro-2,5-dioxaheptyl)triptycene","Acta Crystallographica Section C","1996","52","12","3093","3095","10.1107/S0108270196010694","","","0.71073","MoKα","","0.035","0.035","","0.095","0.095","","","","1.017","1.046","1.046","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005727","6.9888","0.001","5.6836","0.0005","16.019","0.002","90","","101.822","0.011","90","","622.8","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,7-(Di-2-thienyl)-1,5,2,4,6,8-dithiatetrazocine","","- C10 H6 N4 S4 -","- C10 H6 N4 S4 -","- C20 H12 N8 S8 -","2","0.5","BK1274","Barclay, T. M.; Cordes, A. W.; Oakley, R. T.; Preuss, K. E.","3,7-Bis(2-thienyl)-1,5,2,4,6,8-dithiatetrazocine","Acta Crystallographica Section C","1996","52","12","3250","3252","10.1107/S0108270196010797","","","0.7107","MolybdenumKα","","0.035","0.035","","0.059","0.059","","","","","1.05","1.05","","","","","has coordinates,has disorder","200183","2020-10-21","18:00:00",""
"2005728","8.7472","0.0007","34.341","0.006","18.952","0.002","90","","97.854","0.007","90","","5639.5","1.2","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,2'-bipyridine-1κ^2^N)(2,2':6',2''-terpyridine-1κ^3^N)(pentaammino-2κ^5^N)- (μ-4,4'-bipyridine-N,N')diruthenium Tetrakis(pentafluorophosphate) Acetonitrile Solvate","","- C37 H45 F24 N13 P4 Ru2 -","- C37 H42 F24 N13 P4 Ru2 -","- C148 H168 F96 N52 P16 Ru8 -","4","1","BK1275","Szalda, D. J.; Fagalde, F.; Katz, N. E.","Pentaammine-2κ^5^<i>N</i>-(μ-4,4'-bipyridine-1κ<i>N</i>:2κ<i>N</i>')(2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>')(2,2':6',2''-terpyridine-1κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')diruthenium Tetrakis(hexafluorophosphate) Acetonitrile Solvate","Acta Crystallographica Section C","1996","52","12","3013","3016","10.1107/S0108270196011249","","","1.5418","CuKα","","0.1361","0.066","","0.2086","0.177","","","","0.925","1.07","1.07","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005729","10.6297","0.001","6.2597","0.0004","9.9677","0.0007","90","","93.034","0.007","90","","662.31","0.09","200","1","200","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,1,3,3-tetramethylurea","","","- C5 H12 N2 O -","- C5 H12 N2 O -","- C20 H48 N8 O4 -","4","0.5","BM1063","Frampton, C. S.; Parkes, K. E. B.","1,1,3,3-Tetramethylurea","Acta Crystallographica Section C","1996","52","12","3246","3248","10.1107/S0108270196011146","","","1.54178","CuKα","","0.0372","0.0337","","0.1309","0.0994","","","","1.064","1.084","1.084","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005730","7.974","0.002","21.692","0.004","10.038","0.007","90","","90","","90","","1736.3","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 B2 Cu F8 N4 -","- C12 H16 B2 Cu F8 N4 -","- C48 H64 B8 Cu4 F32 N16 -","4","0.5","BM1074","Narayanan, B.; Bhadbhade, M. M.","Restricting Chelate Ring Flipping in Cu^II^ Complexes. I. Non-Thermochromic Bis(<i>o</i>-phenylenediamine-<i>N</i>,<i>N</i>')copper(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1996","52","12","3049","3051","10.1107/S0108270196007354","","","0.71073","MoKα","","0.0628","0.0346","","0.1014","0.0925","","","","0.991","1.168","1.168","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005731","9.625","0.003","20.989","0.003","17.653","0.002","90","","90","","90","","3566.2","1.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 N2 O12 Si2 -","- C32 H46 N2 O12 Si2 -","- C128 H184 N8 O48 Si8 -","4","1","BM1085","Wang, Z.-G.; Liu, S.-G.; Wang, D.; Sui, X.-M.","An Optically Active Pentacoordinate Silicate: (+)-Bis(triethylammonium) Bis[(<i>R</i>,<i>R</i>)-tartrato(4–)]diphenyldisilicate","Acta Crystallographica Section C","1996","52","12","3179","3181","10.1107/S0108270196009432","","","0.71073","MoKα","","","0.049","","","0.064","","","","","2.11","2.11","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005732","12.443","0.01","13.286","0.009","13.093","0.008","90","","108.37","0.05","90","","2054","3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[2,2-dimethyl-1,3-propanediylbis(nitrilopropylidyne)]diphenol","","- C23 H30 N2 O2 -","- C23 H30 N2 O2 -","- C92 H120 N8 O8 -","4","1","BM1090","Corden, J. P.; Errington, W.; Moore, P.; Phillips, P. R.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 2,2-Dimethyl-1,3-propanediamine","Acta Crystallographica Section C","1996","52","12","3199","3202","10.1107/S0108270196011134","","","0.71073","MoKα","","0.073","0.0453","","0.1052","0.0985","","","","0.852","1.038","1.038","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005733","10.261","0.009","10.786","0.006","12.425","0.005","99.39","0.06","110.22","0.05","99.35","0.05","1237","1.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,2'-[2,2-dimethyl-1,3-propanediylbis(nitrilophenylmethylidyne)]diphenol","","- C31 H30 N2 O2 -","- C31 H30 N2 O2 -","- C62 H60 N4 O4 -","2","1","BM1090","Corden, J. P.; Errington, W.; Moore, P.; Phillips, P. R.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 2,2-Dimethyl-1,3-propanediamine","Acta Crystallographica Section C","1996","52","12","3199","3202","10.1107/S0108270196011134","","","0.71073","MoKα","","0.0676","0.0514","","0.1402","0.1259","","","","0.95","1.08","1.08","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005734","5.806","0.001","7.714","0.002","17.081","0.003","90","","90","","90","","765","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Me-alpha-D lyxopyranoside","Methyl alpha-D lyxopyranoside","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","BM1092","Evdokimov, A. G.; Frolow, F.","Methyl α-<small>D</small>-Lyxopyranoside","Acta Crystallographica Section C","1996","52","12","3218","3219","10.1107/S0108270196009122","","","0.71073","MoKα","","0.0599","0.0577","","0.1502","0.1464","","","","1.073","1.081","1.081","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005735","9.0659","0.0009","10.0897","0.001","10.4858","0.001","109.35","0.011","108.26","0.011","97.64","0.01","828.86","0.18","293","","293","","","","","","","","","5","P -1","-P 1","2","","6-ammonio-1H^+^-1,4,8,11-tetraazacyclotridecane-5,7-dione dichloride methanol solvate","","- C10 H25 Cl2 N5 O3 -","- C10 H25 Cl2 N5 O3 -","- C20 H50 Cl4 N10 O6 -","2","1","BM1095","Mishra, A. K.; Gestin, J. F.; Faivre-Chauvet, A.; Chatal, J. F.; Evain, M.","6-Ammonio-(1<i>H</i>^+^)-1,4,8,11-tetraazacyclotridecane-5,7-dione Dichloride Methanol Solvate: an Amino-Pendant Tetraazacyclotridecane Derivative","Acta Crystallographica Section C","1996","52","12","3100","3102","10.1107/S0108270196009559","","","0.71073","MoKα","","0.04","0.04","","0.052","0.052","","","","1.753","1.753","1.753","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005736","11.911","0.009","15.794","0.008","7.468","0.014","90","","90","","90","","1405","3","153","","153","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H12 N4 S -","- C17 H12 N4 S -","- C68 H48 N16 S4 -","4","1","BM1096","Alves, J. A. C.; Dillon, C. J.; Johnstone, R. A. W.","5-(2-Naphthyl)thio-1-phenyltetrazole: Chemical Reactivity and Electronic Effects of Conjugation through Sulfur","Acta Crystallographica Section C","1996","52","12","3163","3165","10.1107/S0108270196010839","","","0.71073","MoKα","","","0.0594","","","0.0632","","","","","1.746","1.746","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005737","7.7176","0.0016","17.328","0.004","7.8162","0.0015","90","","93.62","0.016","90","","1043.2","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","9α-fluoro-11β-hydroxy-21-methoxy-16α-methyl-pregna-1,4-diene-3,20,21-trione","","- C23 H29 F O5 -","- C23 H29 F O5 -","- C46 H58 F2 O10 -","2","1","BM1097","Negriolli, J.; Evain, M.; André, F.","A Corticosteroid Ester","Acta Crystallographica Section C","1996","52","12","3102","3104","10.1107/S0108270196009444","","","0.71073","MoKα","","0.059","0.059","","0.059","0.059","","","","1.421","1.421","1.421","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005738","10.806","0.001","21.947","0.004","9.614","0.004","90","","90","","90","","2280","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S),(E)-5-Methoxycarbonyl-2-triphenylmethylaminohex-4-en-4-olide","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","BM1098","Nastopoulos, V.; Athanassopoulos, C.; Papaioannou, D.; Gavuzzo, E.","(<i>S</i>),(<i>E</i>)-5-Methoxycarbonyl-2-triphenylmethylaminohex-4-en-4-olide","Acta Crystallographica Section C","1996","52","12","3227","3229","10.1107/S0108270196011158","","","1.5418","CuKα","","0.0406","0.0347","","0.0977","0.0963","","","","1.045","1.075","1.075","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005739","6.276","0.001","15.232","0.001","16.616","0.002","90","","90","","90","","1588.4","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Z-N-formylnornuciferin","4,5,6a,7-tetrahydro-1,2-dimethoxy-6H-dibenzo[de,g]quinoline-6-carbaldehyde","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","BM1101","Simonsen, O.; Singh, S. K.; Wengel, J.; Parmar, V. S.","(<i>Z</i>)-<i>N</i>-Formylnornuciferin Isolated from <i>Piper argyrophylum</i>","Acta Crystallographica Section C","1996","52","12","3195","3196","10.1107/S0108270196010360","","","0.71073","MoKα","","0.095","0.041","","0.03","0.028","","","","2.131","2.484","2.484","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005740","12.454","0.007","11.382","0.008","17.841","0.007","90","","90","","90","","2529","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-diphenyl-4-imidazoline-2-thione","","- C15 H12 N2 S -","- C15 H12 N2 S -","- C120 H96 N16 S8 -","8","1","BM1103","Cox, P. J.; Sohal, B.; Skellern, G. G.; Love, S. W.; Shankland, N.","1,3-Diphenyl-4-imidazoline-2-thione","Acta Crystallographica Section C","1996","52","12","3152","3154","10.1107/S0108270196010931","","","0.71073","MoKα","","0.0941","0.0492","","0.1075","0.0971","","","","0.82","1.032","1.032","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005741","8.518","0.002","16.514","0.003","17.25","0.003","90","","90","","90","","2426.5","0.8","150","0.2","150","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5R-(2,3,4-Tri-O-acetyl-β-D-xylopyranosyl)-5-(2,3-O-isopropylidene- 1-O-methyl-α-D-lyxo-tetrafuranos-4-yl)-4,5-dihydroisoxazole","","- C22 H31 N O12 -","- C22 H31 N O12 -","- C88 H124 N4 O48 -","4","1","BM1111","Ferguson, W. J.; Parsons, S.; Paton, R. M.","The Major Isoxazoline Cycloadduct from Reaction of a Xylopyranosylnitrile Oxide with a Hex-5-enopyranoside","Acta Crystallographica Section C","1996","52","12","3067","3069","10.1107/S010827019601178X","","","1.54184","CuKα","","0.0827","0.0569","","0.1226","0.1073","","","","1.065","1.076","1.076","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005742","14.8887","0.001","20.4239","0.0013","7.1847","0.0005","90","","100.743","0.002","90","","2146.5","0.2","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 8-chlorobicyclo[7.1.0]deca-1,8-dien-4-yn-2-carboxylate","","- C12 H11 Cl O2 -","- C12 H11 Cl O2 -","- C96 H88 Cl8 O16 -","8","2","BM1113","Clegg, W.; Al Dulayymi, A. R.; Baird, M. S.","A Strained Cyclononadienyne","Acta Crystallographica Section C","1996","52","12","3219","3222","10.1107/S0108270196012152","","","0.71073","MoKα","","0.0824","0.0454","","0.1133","0.0999","","","","1.02","1.109","1.109","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005743","10.076","0.001","10.076","0.001","6.807","0.001","90","","90","","120","","598.4","0.2","296","2","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- As3 Ca5 Cl O12 -","- As3 Ca5 Cl O12 -","- As6 Ca10 Cl2 O24 -","2","0.166667","","","Chlorapatite: Ca~5~(AsO~4~)~3~Cl","Acta Crystallographica C","1996","52","","2959","2960","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2005744","7.004","0.001","5.374","0.0008","8.691","0.001","90","","110.18","0.01","90","","307.04","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","sodium yttrium diphosphate","","- Na O7 P2 Y -","- Na O7 P2 Y -","- Na2 O14 P4 Y2 -","2","1","BR1148","Hamady, A.; Jouini, T.","NaYP~2~O~7~","Acta Crystallographica Section C","1996","52","12","2949","2951","10.1107/S0108270196009626","","","0.71069","MoKα","","0.0718","0.0425","","0.1023","0.091","","","","1.087","1.159","1.159","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005745","15.555","0.002","7.5692","0.0006","17.362","0.007","90","","90.598","0.014","90","","2044.1","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Rubidium Indium Antimonide","Dirubidium phyllo-triantimonododiindate","","- In2 Rb2 Sb3 -","- In2 Rb2 Sb3 -","- In16 Rb16 Sb24 -","8","2","BR1152","Gourdon, O.; Boucher, F.; Gareh, J.; Evain, M.; O'Connor, C.; Jin-Seung, J.","Rubidium Indium Antimonide, Rb~2~In~2~Sb~3~","Acta Crystallographica Section C","1996","52","12","2963","2964","10.1107/S0108270196010104","","","0.56086","AgKα","","0.1039","0.0388","","0.0732","0.0637","","","","0.699","0.874","0.874","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005746","12.632","0.003","13.618","0.002","7.2249","0.0007","90","","90","","90","","1242.8","0.4","292","","292","","","","","","","","","7","P n m a","-P 2ac 2n","62","Gadolinium potassium iron hexacyanide trihydrate","Gadolinium potassium hexacyanoferrate (II) trihydrate","","- C6 H6 Fe Gd K N6 O3 -","- C6 Fe Gd K N6 O3 -","- C24 Fe4 Gd4 K4 N24 O12 -","4","0.5","BR1153","Mullica, D. F.; Ward, J. L.; Sappenfield, E. L.","Gadolinium Potassium Hexacyanoferrate(II) Trihydrate","Acta Crystallographica Section C","1996","52","12","2956","2959","10.1107/S0108270196010840","","","0.71073","MoKα","","0.027","0.023","","0.407","0.043","","","","","1.165","1.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005747","13.904","0.002","17.525","0.002","13.406","0.002","90","","95.964","0.006","90","","3248.9","0.8","300","2","300","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Tris(N,N-diethyldithiocarbamato-S,S')nickel(IV) 1,1,2,3,3-pentacyanopropenide","","- C23 H30 N8 Ni S6 -","- C23 H20 N8 Ni S6 -","- C92 H80 N32 Ni4 S24 -","4","1","CF1075","Chen, W.; Li, H.; Zhong, Z.-J.; Zhang, K.; You, X.-Z.","Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')nickel(IV) 1,1,2,3,3-Pentacyanopropenide","Acta Crystallographica Section C","1996","52","12","3030","3033","10.1107/S0108270196009663","","","0.71073","MoKα","","0.0544","0.0443","","0.1063","0.0994","","","","1.083","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005748","25.348","0.003","7.8824","0.0007","11.928","0.001","90","","96.8","0.02","90","","2366.5","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","C24 H29 O9 Cl","18-chloro,4α-hydroxy derivative of 19-acetylteupolin IV","","- C24 H29 Cl O9 -","- C24 H29 Cl O9 -","- C96 H116 Cl4 O36 -","4","1","CF1084","","An 18-Chloro-4α-hydroxy Derivative of 19-Acetylteupolin IV: a Neo-clerodane Diterpenoid of Biological Interest","Acta Crystallographica C","1996","52","","3157","3159","10.1107/S0108270196009110","","","1.5418","CuKα","","0.0554","0.0522","","0.1322","0.1288","","","","1.016","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005749","20.074","0.004","14.331","0.003","23.334","0.005","90","","106.77","0.03","90","","6427","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(hexafluoroacetylacetonato)barium^.^(pentaglyme)","Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)barium^.^(2,5,8,11,14,17- hexaoxaoctadecane)","","- C22 H28 Ba F12 O10 -","- C22 H28 Ba F12 O10 -","- C176 H224 Ba8 F96 O80 -","8","1","CF1089","Motevalli, M.; O'Brien, P.; Watson, I. M.","Bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)(2,5,8,11,14,17-hexaoxaoctadecane)barium","Acta Crystallographica Section C","1996","52","12","3028","3030","10.1107/S0108270196011122","","","0.71073","MoKα","","0.0455","0.037","","0.1108","0.106","","","","1.07","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005750","12.334","0.002","11.742","0.003","13.236","0.002","90","","116.9","0.01","90","","1709.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(N'-Benzoylimino)-5H-benzimidazo[2,1-b][1,3,5]benzothiadiazepine","","- C21 H14 N4 O S -","- C21 H14 N4 O S -","- C84 H56 N16 O4 S4 -","4","1","CF1101","Song, C. E.; Jin, B. W.; Jeong, J. H.","12-(<i>N</i>-Benzoylimino)-11,12-dihydrobenzimidazo[2,1-<i>b</i>][1,3,5]benzothiadiazepine","Acta Crystallographica Section C","1996","52","12","3131","3133","10.1107/S0108270196009249","","","0.71073","MoKα","","0.0738","0.0613","","0.1126","0.1068","","","","1.148","1.172","1.172","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005751","5.739","0.001","7.621","0.002","36.561","0.005","90","","90","","90","","1599.1","0.6","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N S -","- C18 H14 Cl N S -","- C72 H56 Cl4 N4 S4 -","4","1","","","(E)-3-(4-Chlorophenyl)-3-cyclopropyl-2-(phenylthio)acrylonitrile","Acta Crystallographica C","1996","52","","2945","2947","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005752","9.841","0.001","21.845","0.002","13.015","0.003","90","0.2","94.43","0.05","90","0.3","2789.6","0.8","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 Cl2 N6 O4 -","- C28 H23 Cl2 N6 O4 -","- C112 H92 Cl8 N24 O16 -","4","1","CF1108","Hasnaoui, A.; El Messaoudi, M.; Lavergne, J. P.; Giorgi, M.; Pierrot, M.","A Strained Tricyclic Product of a Dipolar 1,3-Cycloaddition Reaction of Diazepine","Acta Crystallographica Section C","1996","52","12","3213","3215","10.1107/S0108270196009675","","","0.71073","MoKα","","0.144","0.057","","","0.082","","","","","2.885","2.885","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005753","9.414","0.001","10.339","0.002","14.675","0.002","90","","102.1","0.02","90","","1396.6","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","penicillin V benzhydryl ester sulfoxide","diphenylmethyl 3,3-dimethyl- 7-oxo-6-phenoxyacetamido-4-thia-1-azabicylo[3.2.0] heptane-2-carboxylate-4-oxide monohydrate","","- C29 H30 N2 O7 S -","- C29 H30 N2 O7 S -","- C58 H60 N4 O14 S2 -","2","1","CF1116","Yoon, T.-S.; Shin, W.","Penicillin V Benzhydryl Ester Sulfoxide Monohydrate","Acta Crystallographica Section C","1996","52","12","3142","3144","10.1107/S0108270196009250","","","1.5418","CuKα","","0.0479","0.0341","","0.0905","0.0854","","","","1.069","1.077","1.077","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005754","23.896","0.002","10.608","0.004","20.173","0.003","90","","114.218","0.006","90","","4663.6","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 B10 P -","- C20 H25 B10 P -","- C160 H200 B80 P8 -","8","2","CF1123","McWhannell, M. A.; Rosair, G. M.; Welch, A. J.; Teixidor, F.; Viñas, C.","1-Diphenylphosphino-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","1996","52","12","3135","3138","10.1107/S0108270196009109","","","0.71073","MoKα","","0.1776","0.0689","","0.181","0.1294","","","","0.988","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005755","9.747","0.002","5.747","0.001","18.971","0.004","90","","91.08","0.03","90","","1062.5","0.4","205","2","205","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Benzyl-1-deoxy-1-(2-furyl)-1-(hydroxiamino)-2,3:4,5-di- O-isopropylidene-L-manno-pentitol","","- C22 H29 N O6 -","- C22 H29 N O6 -","- C44 H58 N2 O12 -","2","1","CF1124","Merino, P.; Junquera, F.; Merchan, F. L.; Tejero, T.","Chiral Hydroxylamines. III. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-1-deoxy-1-(2-furyl)-2,3:4,5-di-<i>O</i>-isopropylidene-<small>L</small>-<i>manno</i>-pentitol","Acta Crystallographica Section C","1996","52","12","3197","3198","10.1107/S0108270196009687","","","0.71073","MoKα","","0.0876","0.0732","","0.1824","0.1696","","","","1.038","1.078","1.078","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005756","7.43","0.001","14.676","0.002","13.406","0.002","90","","91.06","0.01","90","","1461.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetracarbonylbis(pyridino)tungsten(0)","","- C14 H10 N2 O4 W -","- C14 H10 N2 O4 W -","- C56 H40 N8 O16 W4 -","4","0.5","CF1125","Holzbock, J.; Sawodny, W.; Grosse, E.; Haseidl, M.; Walz, L.","<i>cis</i>-Tetracarbonyldi(pyridine-<i>N</i>)tungsten(0), [W(CO)~4~(py)~2~]","Acta Crystallographica Section C","1996","52","12","3039","3040","10.1107/S0108270196010128","","","0.71073","MoKα","","0.022","0.0185","","0.0456","0.0447","","","","1.009","1.035","1.035","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005757","11.628","0.002","5.5524","0.0006","23.931","0.003","90","","96.82","0.02","90","","1534.1","0.4","294","1","294","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,4'-Thiodiphenol-piperazine (1/1)","","- C16 H20 N2 O2 S -","- C16 H20 N2 O2 S -","- C64 H80 N8 O8 S4 -","4","0.5","CF1131","Coupar, P. I.; Ferguson, G.; Glidewell, C.","N—H···pi(arene) Hydrogen Bonding in 4,4'-Thiodiphenol-Piperazine (1/1)","Acta Crystallographica Section C","1996","52","12","3055","3057","10.1107/S010827019601013X","","","0.7107","MolybdenumKα","","0.1329","0.0543","","0.1155","0.0994","","","","0.937","1.179","1.179","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005758","17.494","0.003","9.172","0.002","17.388","0.003","90","","116.7","0.1","90","","2492","2","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","β-meso (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazzcyclo- tetradecane) Nickel(II) Diperchlorate Monohydrate","","- C16 H38 Cl2 N4 Ni O9 -","- C16 H38 Cl2 N4 Ni O9 -","- C64 H152 Cl8 N16 Ni4 O36 -","4","1","DE1023","Wang, A.; Lee, T.-J.; Chen, B.-H.; Yuan, Y.-Z.; Chung, C.-S.","β-<i>meso</i>-(5,7,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) Diperchlorate Monohydrate","Acta Crystallographica Section C","1996","52","12","3033","3035","10.1107/S0108270196010608","","","0.71069","MoKα","","","0.0596","","","0.0581","","","","","1.81","1.81","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005759","6.06","0.002","7.185","0.003","16.872","0.006","101.44","0.03","91.93","0.03","86.93","0.04","718.8","0.5","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C38 H26 N2 O6 -","2","1","DE1029","Raj, S. S. S.; Ponnuswamy, M. N.; Shanmugam, G.; Nanjundan, S.","1-(2-Naphthyl)-3-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section C","1996","52","12","3145","3146","10.1107/S0108270196009377","","","1.54184","CuKα","","","0.058","","","0.064","","","","","2.16","2.16","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005760","7.694","0.0001","11.135","0.0001","17.6949","0.0001","90","","101.62","0.01","90","","1484.9","0.06","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","1","DE1035","Ganesh, V. K.; Velmurugan, D.; Thiruvalluvar, A.; Parthasarathi, V.; Ramasubbu, N.; Natarajan, D.","1-Methyl-2-phenyldecahydroquinolin-4-one Oxime","Acta Crystallographica Section C","1996","52","12","3177","3179","10.1107/S0108270196009456","","","1.54184","CuKα","","","0.05","","","0.067","","","","","0.95","0.95","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005761","4.6512","0.0016","6.3261","0.0024","7.499","0.003","101.375","0.023","105.923","0.017","101.237","0.019","200.63","0.14","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- Al2 Fe3 Si3 -","- Al2 Fe3 Si3 -","- Al4 Fe6 Si6 -","2","1","DU1157","Yanson, T. I.; Manyako, M. B.; Bodak, O. I.; German, N. V.; Zarechnyuk, O. S.; Cerný, R.; Pacheco, J. V.; Yvon, K.","Triclinic Fe~3~Al~2~Si~3~ and Orthorhombic Fe~3~Al~2~Si~4~ with New Structure Types","Acta Crystallographica Section C","1996","52","12","2964","2967","10.1107/S0108270196008694","","","0.71073","x-ray","","0.068","0.056","","0.031","0.031","","","","1.217","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005762","3.6687","0.0015","12.385","0.007","10.147","0.005","90","","90","","90","","461","0.4","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al2 Fe3 Si4 -","- Al2 Fe3 Si4 -","- Al8 Fe12 Si16 -","4","0.25","DU1157","Yanson, T. I.; Manyako, M. B.; Bodak, O. I.; German, N. V.; Zarechnyuk, O. S.; Cerný, R.; Pacheco, J. V.; Yvon, K.","Triclinic Fe~3~Al~2~Si~3~ and Orthorhombic Fe~3~Al~2~Si~4~ with New Structure Types","Acta Crystallographica Section C","1996","52","12","2964","2967","10.1107/S0108270196008694","","","0.71073","x-ray","","0.065","0.061","","0.039","0.039","","","","1.638","1.685","1.685","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005763","8.648","0.002","8.8428","0.0007","12.316","0.002","90","","90.13","0.02","90","","941.8","0.3","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- In1.5 Li2 Nb0.5 O12 P3 -","- In1.34 Li2 Nb0.66 O12 P3 -","- In5.36 Li8 Nb2.64 O48 P12 -","4","1","DU1158","Cieren, X.; Jaulmes, S.; Angenault, J.; Couturier, J. C.; Quarton, M.","La Phase Monoclinique Li~2~Nb~0,5~In~1,5~(PO~4~)~3~","Acta Crystallographica Section C","1996","52","12","2967","2969","10.1107/S0108270196008153","","","0.71069","MoKα","","","0.0527","","","0.0525","","","","","25.9","25.9","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2005764","24.904","0.005","6.029","0.0012","5.164","0.001","90","","90","","90","","775.4","0.3","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Bromo-2H-1,3-Benzoxazine-2,4(1H)-dione","","- C8 H4 Br N O3 -","- C8 H4 Br N O3 -","- C32 H16 Br4 N4 O12 -","4","1","DU1159","Lubini, P.; Wouters, J.","6-Bromo-2<i>H</i>-3,1-benzoxazine-2,4(1<i>H</i>)-dione at 153K","Acta Crystallographica Section C","1996","52","12","3108","3110","10.1107/S0108270196008888","","","0.71073","MoKα","","0.0625","0.0559","","0.1424","0.1343","","","","1.026","1.02","1.02","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:27",""
"2005765","17.479","0.004","8.929","0.002","11.959","0.003","90","","113.1","0.2","90","","1717","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Molybdenyl diarseniate de potassium","","- As4 K2 Mo3 O20 -","- As4 K2 Mo3 O20 -","- As16 K8 Mo12 O80 -","4","0.5","DU1162","Zid, M. F.; Jouini, T.","K~2~MoO~2~(MoO~2~As~2~O~7~)~2~","Acta Crystallographica Section C","1996","52","12","2947","2949","10.1107/S0108270196008700","","","0.71069","MoKα","","0.0436","0.0303","","0.0744","0.067","","","","1.106","1.108","1.108","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005766","4.8366","0.0007","12.539","0.0009","9.3207","0.0009","90","","93.03","0.01","90","","564.47","0.11","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","sym-Hexahydropyrene","","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.5","FG1217","A. J. Dobson; R. E. Gerkin","<i>sym</i>-Hexahydropyrene","Acta Crystallographica Section C","1996","52","12","3086","3088","10.1107/S0108270196010013","","","0.71073","MoKα","","","0.035","","","0.047","","","","","2.04","2.04","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005767","16.094","0.001","16.094","0.001","6.717","0.001","90","","90","","120","","1506.7","0.3","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","Chlorotris(m-methoxyphenyl)Tin(IV)","Chlorotris(m-methoxyphenyl)Tin(IV)","","- C21 H21 Cl O3 Sn -","- C21 H21 Cl O3 Sn -","- C63 H63 Cl3 O9 Sn3 -","3","0.333333","FG1223","Wharf, I.; Lebuis, A.-M.","Chlorotris(<i>m</i>-methoxyphenyl)tin(IV)","Acta Crystallographica Section C","1996","52","12","3025","3027","10.1107/S0108270196012115","","","0.7093","MoKα","","0.0246","0.0244","","0.0522","0.0521","","","","1.049","1.048","1.048","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005768","8.1693","0.0005","21.7076","0.0012","8.375","0.0008","90","","96.515","0.009","90","","1475.6","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-1,11-dimethyl-3,9-dinitro-5,7-dihydrodibenz[c,e]oxepin","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C64 H56 N8 O20 -","4","1","FG1226","Roszak, A. W.; Williams, V. E.; Lemieux, R. P.","(±)-1,11-Dimethyl-3,9-dinitro-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine","Acta Crystallographica Section C","1996","52","12","3190","3193","10.1107/S0108270196011900","","","1.54178","CuKα","","0.073","0.0498","","0.1691","0.1419","","","","1.116","1.172","1.172","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005769","6.4957","0.0006","24.723","0.002","5.1393","0.0004","90","","90","","90","","825.34","0.12","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","FG1227","Davidson, J. S.; Trotter, J.","5-(2-Aminophenyl)-1,3,4-oxadiazol-2(3<i>H</i>)-one","Acta Crystallographica Section C","1996","52","12","3236","3238","10.1107/S0108270196011912","","","1.5418","CuKα","","0.055","0.031","","0.049","0.041","","","","1.6","1.51","1.51","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005770","11.963","0.001","11.963","0.001","15.282","0.002","90","","90","","90","","2187.1","0.4","296","","296","","","","","","","","","4","I 41 c d","I 4bw -2c","110","γ-aminobutyric acid","4-aminobutanoic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","1","FR1001","Dobson, A. J.; Gerkin, R. E.","γ-Aminobutyric Acid: a Novel Tetragonal Phase","Acta Crystallographica Section C","1996","52","12","3075","3078","10.1107/S0108270196010001","","","0.71073","MoKα","","","0.033","","","0.037","","","","","1.46","1.46","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005771","15.962","0.002","5.218","0.002","9.613","0.002","90","","90","","90","","800.7","0.4","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-acetylbenzoic acid, phthalide form","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","FR1004","Dobson, A. J.; Gerkin, R. E.","2-Acetylbenzoic Acid: Phthalide Form","Acta Crystallographica Section C","1996","52","12","3078","3081","10.1107/S0108270196010414","","","0.71073","MoKα","","","0.027","","","0.034","","","","","1.4","1.4","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005772","11.342","0.001","5.517","0.001","13.823","0.001","90","","106.39","0.01","90","","829.81","0.18","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","coumarin-3-carboxylic acid","","","- C10 H6 O4 -","- C10 H6 O4 -","- C40 H24 O16 -","4","1","FR1005","Dobson, A. J.; Gerkin, R. E.","Coumarin-3-carboxylic Acid","Acta Crystallographica Section C","1996","52","12","3081","3083","10.1107/S0108270196010852","","","0.71073","MoKα","","","0.037","","","0.045","","","","","1.5","1.5","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005773","7.46","0.001","17.118","0.003","20.707","0.003","90","","90","","90","","2644.3","0.7","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pregnenolone-4-allyloxybenzoate","Pregn-5-en-20-one-3-yl_4-allyloxybenzoate","","- C31 H40 O4 -","- C31 H40 O4 -","- C124 H160 O16 -","4","1","HA1161","Tomlin, D. W.; Bunning, T. J.; McHugh, C. M.; Adams, W. W.","Oxopregnenyl 4-Allyloxybenzoate","Acta Crystallographica Section C","1996","52","12","3181","3183","10.1107/S0108270196005562","","","0.71073","MoKα","","","0.079","","","0.053","","","","","2.473","2.473","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005774","33.01","0.03","7.915","0.004","7.096","0.004","90","","90","","90","","1854","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-5,6-Dimethoxy-1,2,3,4-tetrahydro-2-naphthalenamine (S)-mandelic acid salt","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","HA1167","Fantucci, M.; Montanari, S.; Santangelo, F.; Ianelli, S.; Nardelli, M.","(<i>S</i>)-5,6-Dimethoxy-1,2,3,4-tetrahydro-2-naphthalenamine– <small>L</small>-(+)-Mandelic Acid (1/1): the Absolute Configuration of a Precursor of the Active Stereoisomer of 5,6-ADTN, an Important Dopaminergic Agonist","Acta Crystallographica Section C","1996","52","12","3147","3150","10.1107/S0108270196009614","","","1.54178","CuKα","","0.072","0.0302","","0.0768","0.0602","","","","1.027","1.099","1.099","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005775","10.246","0.003","16.104","0.005","10.462","0.005","90","","106.94","0.02","90","","1651.3","1.1","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O2 S3 -","- C16 H18 N2 O2 S3 -","- C64 H72 N8 O8 S12 -","4","1","HA1177","Blake, A. J.; Danks, J. P.; Parsons, S.; Schröder, M.","4,7-Bis(2-thiophenoyl)-1-thia-4,7-diazacyclononane","Acta Crystallographica Section C","1996","52","12","3062","3064","10.1107/S0108270196012012","","","0.71073","MoKα","","0.0445","0.0317","","0.0895","0.0746","","","","1.073","1.059","1.059","","","","","has coordinates,has disorder","301791","2025-08-18","23:15:27",""
"2005776","7.189","0.001","7.744","0.002","9.331","0.002","90","0.02","110.32","0.04","90","0.03","487.1","0.2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Li Ni1.5 O7 P2 -","- Li Ni1.5 O7 P2 -","- Li4 Ni6 O28 P8 -","4","1","JZ1112","Rissouli, K.; Benkhouja, K.; Sadel, A.; Bettach, M.; Zahir, M.; Giorgi, M.; Pierrot, M.","A Mixed Nickel‒Lithium Pyrophosphate, LiNi~1.5~P~2~O~7~","Acta Crystallographica Section C","1996","52","12","2960","2963","10.1107/S0108270196002739","","","0.71073","MoKα","","0.03","0.028","","","0.04","","","","","1.521","1.521","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005777","13.885","0.001","13.885","0.001","26.207","0.003","90","","90","","90","","5052.5","0.8","295","","295","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H30 Cd I4 S2 -","- C12 Cd I4 S2 -","- C96 Cd8 I32 S16 -","8","0.5","JZ1124","Bengtsson-Kloo, L.; Berglund, J.; Stegemann, H.; Svensson, C.; Svensson, P. H.","Bis(triethylsulfonium) Tetraiodocadmate(II)","Acta Crystallographica Section C","1996","52","12","3045","3047","10.1107/S0108270196006956","","","0.7107","MoKα","","","0.0486","","","0.0525","","","","","1.702","1.702","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2005778","11.916","0.002","9.2894","0.0013","12.835","0.002","90","","117.607","0.011","90","","1259","0.4","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-amino-1,3-dimethyl-5-(3-penten-2-one-4-yl)-aminouracil","","- C11 H16 N4 O3 -","- C11 H16 N4 O3 -","- C44 H64 N16 O12 -","4","1","JZ1155","Jimenez-Pulido, S. B.; Low, J. N.; Ferguson, G.; Moreno-Carretero, M. N.; Hueso-Ureña, F.","6-Amino-1,3-dimethyl-5-(4-oxo-2-penten-2-yl)aminouracil","Acta Crystallographica Section C","1996","52","12","3110","3112","10.1107/S0108270196010773","","","0.7107","MolybdenumKα","","0.1272","0.0477","","0.1361","0.1164","","","","0.929","1.216","1.216","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005779","6.284","0.001","23.51","0.001","9.033","0.001","90","","101.7","0.01","90","","1306.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetra(2-pyridinium)pyrazine-tetrachloride-dihydrate","","- C24 H24 Cl4 N6 O2 -","- C24 H24 Cl4 N6 O2 -","- C48 H48 Cl8 N12 O4 -","2","0.5","JZ1156","Graf, M.; Stoeckli-Evans, H.","Tetraprotonated Tetra(2-pyridyl)pyrazine: Pyrazine-2,3,5,6-tetra(2-pyridinium) Tetrachloride Dihydrate","Acta Crystallographica Section C","1996","52","12","3073","3075","10.1107/S0108270196010943","","","0.71073","MoKα","","0.0505","0.0323","","0.0955","0.08","","","","1.108","1.075","1.075","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005780","7.939","0.002","7.713","0.003","25.291","0.006","90","","90","","90","","1548.7","0.8","100","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","KA1169","Mahler, C. H.; Stevens, E. D.; Trudell, M. L.; Nolan, S. P.","({-})-Thebaine","Acta Crystallographica Section C","1996","52","12","3193","3195","10.1107/S0108270196005392","","","0.71073","Mo-Kα","","","0.042","","","0.054","","","","","1.874","1.874","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005781","9.4429","0.0006","11.3908","0.0008","21.123","0.002","90","0.007","90","0.008","90","0.005","2272","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,5S,1'S)-3-benzyl-5-[1'-(tert-butoxycarbonylamino)- -2'-phenylethyl]-4,5-dihydrofuran-2(3H)-one","","- C24 H29 N O4 -","- C24 H29 N O4 -","- C96 H116 N4 O16 -","4","1","KA1190","Sopková, J.; Vojtísek, P.; Litera, J.; Soucek, M.","(3<i>S</i>,5<i>S</i>,1'<i>S</i>)-3-Benzyl-5-[1'-(<i>tert</i>-butoxycarbonylamino)-2'-phenylethyl]-4,5-dihydrofuran-2(3<i>H</i>)-one","Acta Crystallographica Section C","1996","52","12","3165","3167","10.1107/S0108270196009754","","","0.71073","MoKα","","0.0709","0.0325","","0.0876","0.0744","","","","1.045","1.105","1.105","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005782","5.202","0.001","16.329","0.005","9.745","0.007","90","","98.33","0.04","90","","819","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Zearalenone","","- C18 H22 O5 -","- C18 H22 O5 -","- C36 H44 O10 -","2","1","KA1200","Panneerselvam, K.; Rudiño-Piñera, E.; Soriano-García, M.","3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1<i>H</i>-2-benzoxacyclotetradecin-1,7(8<i>H</i>)-dione (Zearalenone)","Acta Crystallographica Section C","1996","52","12","3095","3097","10.1107/S0108270196011055","","","1.54178","CuKα","","0.0653","0.0503","","0.0852","0.08","","","","1.166","1.287","1.287","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005783","11.929","0.003","9.357","0.003","10.434","0.003","90","","113.32","0.02","90","","1069.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-bis-(4-methoxybenziliden)ethylendiamine:Hydroquinone (1:1)","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","0.5","KA1210","Panneerselvam, K.; Soriano-García, M.; Reyes-Arellano, A.; Tamariz-Mascarúa, J.; Mendoza-Sánchez, R. I.","The 1:1 Molecular Complex of <i>N</i>,<i>N</i>'-Bis(4-methoxybenzylidene)ethylenediamine and Hydroquinone","Acta Crystallographica Section C","1996","52","12","3098","3100","10.1107/S0108270196011067","","","1.54178","CuKα","","0.0393","0.035","","0.0952","0.0904","","","","1.098","1.109","1.109","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005784","10.739","0.003","15.452","0.005","14.522","0.005","90","","109.59","0.03","90","","2270.3","1.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4,5-dihydroxy-1-nitro-anthraquinone","4,5-dihydroxy-1-nitro-9,10-anthracenedione","","- C14 H7 N O6 -","- C14 H7 N O6 -","- C112 H56 N8 O48 -","8","2","KA1211","Yatsenko, A. V.; Paseshnichenko, K. A.; Popov, S. I.","4,5-Dihydroxy-1-nitroanthracene-9,10-dione","Acta Crystallographica Section C","1996","52","12","3258","3260","10.1107/S0108270196011754","","","0.71073","MoKα","","0.0839","0.044","","0.1204","0.1065","","","","0.912","1.111","1.111","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005785","17.5555","0.0011","7.3717","0.0007","26.736","0.002","90","","90","","90","","3460","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(Z)-2-acetoxy-3,3',4'-trimethoxystilbene","","- C19 H20 O5 -","- C19 H20 O5 -","- C152 H160 O40 -","8","1","KA1212","Li, S.; Lundquist, K.; Stomberg, R.","(<i>Z</i>)-2-Acetoxy-3,3',4'-trimethoxystilbene","Acta Crystallographica Section C","1996","52","12","3118","3121","10.1107/S0108270196011079","","","0.71069","MoKα","","0.1793","0.0474","","0.1629","0.1035","","","","1","1.081","1.081","","","","","has coordinates,has Fobs","301791","2025-08-18","23:15:27",""
"2005786","10.477","0.002","6.953","0.001","19.865","0.003","90","","99.55","0.02","90","","1427","0.4","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-diphenyl-1,2,4-benzotriazin-4(1H)-yl","","- C19 H14 N3 -","- C19 H14 N3 -","- C76 H56 N12 -","4","1","KA1215","Krieger, C.; Neugebauer, F. A.","Columnar Stacking of 1,3-Diphenyl-1,2,4-benzotriazin-4(1<i>H</i>)-yl Radicals","Acta Crystallographica Section C","1996","52","12","3124","3126","10.1107/S0108270196011092","","","0.71073","MoKα","","0.041","0.057","","","0.05","","","","","2.187","2.187","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005787","14.79","0.002","8.562","0.0012","14.38","0.003","90","","98.853","0.0013","90","","1799.3","0.5","298","","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl 2-fluoro-2(p-toluoyl)-3-oxo-3-(p-tolyl)propanoate","","- C20 H19 F O4 -","- C20 H19 F O4 -","- C80 H76 F4 O16 -","4","1","KH1096","Kim, M.-J.; Shin, J.-C.; Lee, J.-H.; Rhie, D.-Y.; Kim, D.-Y.; Suh, I.-H.; Choi, S.-S.; Jensen, W. P.; Lewis, D. E.","Ethyl 2-Fluoro-3-oxo-2-(<i>p</i>-toluoyl)-3-(<i>p</i>-tolyl)propanoate, C~20~H~19~O~4~F","Acta Crystallographica Section C","1996","52","12","3127","3128","10.1107/S0108270196011250","","","0.71069","MoKα","","0.146","0.0675","","0.1321","0.1092","","","","0.984","1.227","1.227","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005788","10.529","0.002","10.9805","0.0014","18.362","0.004","90","","99.72","0.02","90","","2092.4","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N2 -","- C23 H30 N2 -","- C92 H120 N8 -","4","1","KH1109","Lin, K.-J.; Wu, J.-Y.; Chen, C.-T.","<i>meso</i>-(3,5-Di-<i>tert</i>-butylphenyl)-2,2'-dipyrromethane","Acta Crystallographica Section C","1996","52","12","3114","3116","10.1107/S0108270196010542","","","0.71073","MoKα","","0.0713","0.0434","","0.1495","0.1304","","","","0.921","0.999","0.999","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005789","8.526","0.001","13.857","0.001","18.519","0.001","90","","90","","90","","2187.9","0.3","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","rac. Cyclododeca-2.8-diyne-1.10-diole","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","1","KH1110","Boss, C.; Stoeckli-Evans, H.; Keese, R.","The First Crystal Structure Analysis of Cyclododeca-2,8-diyne-1,10-diols","Acta Crystallographica Section C","1996","52","12","3069","3073","10.1107/S0108270196009080","","","0.71073","MoKα","","0.1054","0.0444","","0.0929","0.0783","","","","0.882","1.044","1.044","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005790","8.115","0.002","10.4765","0.0011","15.093","0.004","90","","94.59","0.03","90","","1279","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rac. 1,10-dimethyl-cyclododeca-2,8-diyne-1,10-diol","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","KH1110","Boss, C.; Stoeckli-Evans, H.; Keese, R.","The First Crystal Structure Analysis of Cyclododeca-2,8-diyne-1,10-diols","Acta Crystallographica Section C","1996","52","12","3069","3073","10.1107/S0108270196009080","","","0.71073","MoKα","","0.0567","0.0515","","0.1094","0.1053","","","","1.215","1.221","1.221","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005791","6.699","0.0015","9.3743","0.0003","12.892","0.004","90","","90","","90","","809.6","0.3","293","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,4-dimethylcycohexan-1.3-dione","","- C8 H12 O2 -","- C8 H12.624 O2 -","- C32 H50.496 O8 -","4","1","LI1150","Barnes, J. C.","Hydrogen Bonding in 4,4-Dimethylcyclohexane-1,3-dione and 2,5,5-Trimethylcyclohexane-1,3-dione Monohydrate","Acta Crystallographica Section C","1996","52","12","3159","3162","10.1107/S0108270196008980","","","0.71069","MoKα","","0.0557","0.0387","","0.0986","0.0873","","","","0.564","0.637","0.637","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005792","5.863","0.01","13.558","0.01","11.225","0.008","90","","97.8","0.1","90","","884","1.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5,5-trimethylcyclohexan-1,3-dione monohydrate","","- C9 H16 O3 -","- C9 H16 O3 -","- C36 H64 O12 -","4","1","LI1150","Barnes, J. C.","Hydrogen Bonding in 4,4-Dimethylcyclohexane-1,3-dione and 2,5,5-Trimethylcyclohexane-1,3-dione Monohydrate","Acta Crystallographica Section C","1996","52","12","3159","3162","10.1107/S0108270196008980","","","0.71069","MoKα","","0.085","0.0652","","0.1823","0.1644","","","","1.266","1.392","1.392","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005793","9.448","0.003","9.918","0.003","15.173","0.005","107.85","0.02","93.67","0.02","104.74","0.02","1293.1","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(dicyanamide)tetrakis(4-methylimidazole) nickel(II) complex, C~20~H~24~N~14~Ni~1~","","- C20 H24 N14 Ni -","- C20 H24 N14 Ni -","- C40 H48 N28 Ni2 -","2","1","MU1201","Kožíšek, J.; Paulus, H.; Danková, M.; Hvastijová, M.","<i>trans</i>-Bis(dicyanamido-<i>N</i>)tetrakis(4-methylimidazole-<i>N</i>^1^)nickel(II)","Acta Crystallographica Section C","1996","52","12","3019","3020","10.1107/S0108270196010311","","","0.71069","MoKα","","0.0584","0.037","","0.1118","0.0872","","","","1.113","1.071","1.071","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005794","15.181","0.002","9.911","0.001","19.114","0.004","90","","93.64","0.01","90","","2870.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(1.8-bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane) nickel(II)Bis(maleonitriledithiolate)nickelate(II)","","- C20 H30 N10 Ni2 O2 S4 -","- C20 H30 N10 Ni2 O2 S4 -","- C80 H120 N40 Ni8 O8 S16 -","4","0.5","MU1259","Shan, B.-Z.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.","[1,8-Bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) Bis(maleonitriledithiolato)nickelate(II)","Acta Crystallographica Section C","1996","52","12","3035","3037","10.1107/S0108270196009389","","","0.71073","MoKα","","0.0395","0.033","","0.0993","0.0932","","","","1.059","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005795","21.86","0.02","12.48","0.02","11.047","0.008","90","","90","","90","","3014","6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-methyl-4-methylamino-3,5-diphenyl-1,2,4,3,5-triazadiborole","","- C14 H18 B2 N4 -","- C14 H18 B2 N4 -","- C112 H144 B16 N32 -","8","1","MU1263","Engelhardt, U.; Park, S. S.","An Inorganic <i>N</i>-Amino Analogue of Pyrrole: a Five-Membered Ring with Methylhydrazine and Two B Atoms as Building Blocks","Acta Crystallographica Section C","1996","52","12","3248","3250","10.1107/S0108270196010232","","","0.71069","MoKα","","0.035","0.08","","0.197","0.03","","","","1.38","1.99","1.99","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005796","9.842","0.004","15.775","0.002","7.382","0.001","100.04","0.01","95.75","0.02","79.02","0.02","1105.2","0.5","293","5","293","3","","","","","","","","5","P -1","-P 1","2","","3,7-bis(dimethylamino)-(N-carboxymethyl)phenothiazine-10-carboxamide","","- C21 H28 N4 O4 S -","- C21 H28 N4 O4 S -","- C42 H56 N8 O8 S2 -","2","1","MU1269","Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","10-(<i>N</i>-Carboxymethylcarbamoyl)-3,7-bis(dimethylamino)phenothiazine (CCAP)–Ethanol (1/1), C~19~H~22~N~4~O~3~S.C~2~H~6~O","Acta Crystallographica Section C","1996","52","12","3140","3142","10.1107/S0108270196010244","","","1.5418","CuKα","","","0.065","","","0.087","","","","","2.76","2.76","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005797","9.027","0.005","10.945","0.005","10.913","0.005","112.79","0.005","99.24","0.005","109.72","0.005","881.5","0.8","150","0.2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O7 -","- C19 H18 N2 O7 -","- C38 H36 N4 O14 -","2","1","MU1270","Despinoy, X. L. M.; McNab, H.; Parsons, S.","An Unusual 3<i>H</i>-Pyrrole at 150K","Acta Crystallographica Section C","1996","52","12","3064","3067","10.1107/S0108270196010256","","","0.71073","MoKα","","0.1159","0.0698","","0.2021","0.1665","","","","1.024","1.09","1.09","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005798","6.246","0.003","7.187","0.004","31.334","0.002","90","","90","","90","","1406.6","1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","MU1276","Kevran, S.; Elmali, A.; Elerman, Y.","5-Chloro-2-[(2-hydroxybenzylidene)aminomethyl]phenol","Acta Crystallographica Section C","1996","52","12","3256","3258","10.1107/S0108270196010268","","","0.71069","MoKα","","0.0418","0.0402","","0.0969","0.0958","","","","1.111","1.159","1.159","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005799","7.4614","0.0004","16.5571","0.0013","20.6129","0.0014","90","","90","","90","","2546.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","o-cyanophenol","o-Cyanophenol","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","MU1277","Beswick, C.; Kubicki, M.; Codding, P. W.","<i>o</i>-Cyanophenol","Acta Crystallographica Section C","1996","52","12","3171","3173","10.1107/S0108270196009419","","","1.54178","CuKα","","0.053","0.0401","","0.1033","0.0965","","","","1.059","1.154","1.154","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005800","15.789","0.013","8.139","0.01","10.719","0.007","90","","90","","90","","1377","2","193","1","193","1","","","","","","","","6","P n a 21","P 2c -2n","33","2-Anilidopyridinetungstenoxotrichloride","trichloro-2-(phenylamido)pyridineoxotungsten","","- C11 H9 Cl3 N2 O W -","- C11 H9 Cl3 N2 O W -","- C44 H36 Cl12 N8 O4 W4 -","4","1","MU1278","Polamo, M.","<i>mer</i>-Trichloro[2-(phenylamino)pyridinato]oxotungsten(VI)","Acta Crystallographica Section C","1996","52","12","2980","2982","10.1107/S010827019601027X","","","0.71073","MoKα","","0.0351","0.0295","","0.0753","0.0735","","","","1.04","1.064","1.064","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005801","22.37","0.003","5.692","0.001","9.39","0.002","90","","90","","90","","1195.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (1R,2R)-1-cyano-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane- 1-carboxylate","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","MU1282","Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.; López, M. P.","Methyl (1<i>R</i>,2<i>R</i>)- and (1<i>S</i>,2<i>S</i>)-1-Cyano-2-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate","Acta Crystallographica Section C","1996","52","12","3210","3213","10.1107/S0108270196010281","","","0.71073","MoKα","","0.0496","0.0424","","0.1156","0.1083","","","","1.036","1.046","1.046","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005802","5.911","0.001","9.445","0.002","22.051","0.004","90","","90","","90","","1231.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (1S,2S)-1-cyano-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane- 1-carboxylate","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","MU1282","Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.; López, M. P.","Methyl (1<i>R</i>,2<i>R</i>)- and (1<i>S</i>,2<i>S</i>)-1-Cyano-2-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate","Acta Crystallographica Section C","1996","52","12","3210","3213","10.1107/S0108270196010281","","","0.71073","MoKα","","0.104","0.0675","","0.1897","0.1594","","","","1.021","1.078","1.078","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005803","11.936","0.002","20.053","0.003","12.306","0.003","90","","93.48","0.01","90","","2940","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-thiobenzoato-O,S)bis(triphenylphosphineoxide-O)dimolybdenum(II)","","- C64 H50 Mo2 O6 P2 S4 -","- C64 H50 Mo2 O6 P2 S4 -","- C128 H100 Mo4 O12 P4 S8 -","2","0.5","MU1284","Cindrić, M.; Vrdoljak, V.; Matković-Čalogović, D.; Kamenar, B.","A 1:2 Adduct of Tetrakis(μ-thiobenzoato-<i>O</i>,<i>S</i>)dimolybdenum(II)(<i>Mo{—</i>Mo}) with Triphenylphosphine Oxide, [Mo~2~(C~7~H~5~OS)~4~].2[(C~6~H~5~)~3~OP]","Acta Crystallographica Section C","1996","52","12","3016","3018","10.1107/S0108270196010293","","","0.71073","MoKα","","0.1239","0.0494","","0.1144","0.0933","","","","0.974","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005804","9.821","0.004","11.855","0.005","32.703","0.005","90","","93.97","0.03","90","","3798","2","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","chloro(η^6^-p-cymene)[1-(dimethylphosphino-κP)-2-(methylthio-κS)ethane]- ruthenium(II) tetraphenylborate hemidichloromethane solvate","","- C39.5 H48 B Cl2 P Ru S -","- C39.5 H48 B Cl2 P Ru S -","- C158 H192 B4 Cl8 P4 Ru4 S4 -","4","1","MU1286","Suzuki, T.; Taguchi, N.; Kashiwabara, K.","Ruthenium(II) Complex Containing a New Hybrid Bidentate Phosphine‒Thioether Ligand: [(<i>p</i>-Cymene)RuCl(Me~2~PCH~2~CH~2~SMe)][BPh~4~].0.5CH~2~Cl~2~","Acta Crystallographica Section C","1996","52","12","2982","2984","10.1107/S010827019601030X","","","0.71073","MoKα","","","0.056","","","0.056","","","","","1.62","1.62","","","","","has coordinates,has disorder","202198","2020-10-21","18:00:00",""
"2005805","9.58","0.015","9.652","0.012","14.625","0.019","94.18","0.13","90.27","0.15","118.44","0.09","1185","3","193","1","193","1","","","","","","","","5","P -1","-P 1","2","2-(Phenylamino)pyridinium tetrachloro-2-(phenylamido)pyridinetitanate(IV)","2-(Phenylamino)pyridinium tetrachloro(2-phenylaminopyridinato)titanate(IV)","","- C22 H20 Cl4 N4 Ti -","- C22 H20 Cl4 N4 Ti -","- C44 H40 Cl8 N8 Ti2 -","2","1","MU1287","Polamo, M.; Leskelä, M.","Tetrachloro[2-(phenylamino)pyridinato]titanate(IV) with a 2-(Phenylamino)pyridinium Counterion","Acta Crystallographica Section C","1996","52","12","2975","2977","10.1107/S0108270196010347","","","0.71073","MoKα","","0.1002","0.0667","","0.1359","0.1248","","","","1.053","1.177","1.177","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005806","5.113","0.002","8.279","0.002","14.86","0.005","93.01","0.02","96.27","0.03","99.87","0.03","614.4","0.4","292","","292","","","","","","","","","4","P 1","P 1","1","","L-Argininium squarate","","- C10 H16 N4 O6 -","- C10 H16 N4 O6 -","- C20 H32 N8 O12 -","2","2","NA1228","Angelova, O.; Velikova, V.; Kolev, T.; Radomirska, V.","Crystalline Complexes Involving Amino Acids. I. <small>L</small>-Argininium Hydrogen Squarate","Acta Crystallographica Section C","1996","52","12","3252","3256","10.1107/S0108270196010219","","","0.71073","MoKα","","0.055","0.039","","0.052","0.052","","","","1.011","1.026","1.026","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2005807","9.42","0.001","20.13","0.003","18.887","0.003","90","","95.1","0.01","90","","3567.3","0.9","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(5'-oxo-3'-phenylpyrazonyl)-3-phenylpyrazol-5-ones","","- C46 H38 N4 O2 -","- C46 H38 N4 O2 -","- C184 H152 N16 O8 -","4","1","NA1248","Bruno, G.; Grassi, G.; Nicoló, F.; Risitano, F.; Scopelliti, R.","4-[5'-Oxo-1',3'-diphenyl-4'-(<i>p</i>-tolylmethyl)]-1,3-diphenyl-4-(<i>p</i>-tolylmethyl)pyrazol-5-one: Product of a Reductive Dimerization Reaction","Acta Crystallographica Section C","1996","52","12","3129","3131","10.1107/S010827019600916X","","","0.71073","MoKα","","","0.0618","","","0.0716","","","","","1.84","1.84","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005808","6.68","0.001","13.996","0.002","10.816","0.001","90","","104.22","0.01","90","","980.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","diμ-chloro bis-diethylene triamine dicopper(II) dinitrate","","- C4 H13 Cl Cu N4 O3 -","- C4 H13 Cl Cu N4 O3 -","- C16 H52 Cl4 Cu4 N16 O12 -","4","1","NA1250","Urtiaga, M. K.; Arriortua, M. I.; Cortés, R.; Rojo, T.","Di-μ-chloro-bis[(diethylenetriamine)copper(II)] Dinitrate","Acta Crystallographica Section C","1996","52","12","3007","3009","10.1107/S010827019600978X","","","0.7107","MoKα","","0.0368","0.0222","","0.0737","0.0621","","","","0.651","0.602","0.602","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005809","3.846","0.001","25.673","0.002","13.992","0.001","90","","96.36","0.01","90","","1373","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","5-methoxy-1,4-benzoquinone-4-oxime","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C56 H56 N8 O24 -","8","2","NA1253","Sardone, N.; Carugo, O.; Charalambous, J.; Raghvani, D. V.","3-Methoxy-1,4-benzoquinone 4-Oxime","Acta Crystallographica Section C","1996","52","12","3202","3204","10.1107/S0108270196009171","","","1.54184","CuKα","","0.05","0.038","","","0.034","","","","","0.627","0.627","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005810","23.953","0.003","22.097","0.003","11.477","0.004","90","","90","","90","","6075","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3R^*^,4S^*^)-3-Hexyl-3-(trimethylsilyl)-4-[(S^*^)-2'-(tert-butyl- dimethylsiloxy)-2'-cyclohexylethyl]-2-oxetanone","","- C26 H52 O3 Si2 -","- C26 H52 O3 Si2 -","- C208 H416 O24 Si16 -","8","1","NA1256","Kocienski, P. J.; Pelotier, B.; Webster, M.","(3<i>R</i>*,4<i>S</i>*)-4-[(<i>S</i>*)-2-Cyclohexyl-2-(<i>tert</i>-butyldimethylsiloxy)ethyl]-3-hexyl-3-(trimethylsilyl)oxetan-2-one","Acta Crystallographica Section C","1996","52","12","3150","3152","10.1107/S0108270196009158","","","0.71069","MoKα","","","0.0591","","","0.051","","","","","2.301","2.301","","","","","has coordinates","301791","2025-08-18","23:15:27",""
"2005811","9.282","0.004","17.837","0.005","8.488","0.004","90","","90","","90","","1405.3","1","295","","295","","","","","","","","","6","P c c n","-P 2ab 2ac","56","Cadmium dimethyl dithiophosphate","Bis(O,O'-dimethyl dithiophosphato)Cadmium(II)","","- C4 H12 Cd O4 P2 S4 -","- C4 H12 Cd O4 P2 S4 -","- C16 H48 Cd4 O16 P8 S16 -","4","0.5","OA1003","Ito, T.; Otake, M.","Linear-Chain Structure of Bis(<i>O</i>,<i>O</i>'-dimethyldithiophosphato)cadmium(II)","Acta Crystallographica Section C","1996","52","12","3024","3025","10.1107/S0108270196010463","","","0.71069","MoKα","","","0.0365","","","0.0545","","","","","2.375","2.375","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005812","7.755","","7.755","","35.137","0.002","90","","90","","120","","1830.03","0.1","296","","","","","","","","","","","3","P 65","P 65","170","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C72 H120 O24 -","6","1","OA1006","Kiyotani, T.; Masuda, K.; Ageta, H.; Chakravarty, A. K.; Das, B.","Glycoric Acid, a New Degraded Carotenoid from <i>Glycosmis arborea</i>","Acta Crystallographica Section C","1996","52","12","3216","3217","10.1107/S0108270196010475","","","0.71073","MoKα","","","0.028","","","0.036","","","","","1.31","1.31","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005813","8.542","0.006","13.823","0.008","22.941","0.012","90","","90","","90","","2709","3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3α, 4α, 8α, 9α-diépoxy-cis-himachalane","","- C15 H24 O2 -","- C15 H24 O2 -","- C120 H192 O16 -","8","2","PA1242","Chiaroni, A.; Riche, C.; Lassaba, E.; Benharref, A.","2α,3α:7α,8α-Diépoxy-<i>cis</i>-himachalane","Acta Crystallographica Section C","1996","52","12","3240","3243","10.1107/S0108270196008797","","","0.7107","MoKα","","","0.0538","","","0.0757","","","","","1.05","1.05","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005814","21.562","0.003","14.055","0.002","8.072","0.001","90","","90","","90","","2446.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","quitenidinium ethyl ester ethyl sulfate","","","- C23 H32 N2 O8 S -","- C23 H32 N2 O8 S -","- C92 H128 N8 O32 S4 -","4","1","SK1021","Lewinski, K.; Nitek, W.; Oleksyn, B. J.; Kostrzewa, A.; Lipinska, T.; Suszko-Purzycka, A.","Quitenidinium Ethyl Ester Ethyl Sulfate","Acta Crystallographica Section C","1996","52","12","3121","3124","10.1107/S0108270196009572","","","1.54178","CuKα","","0.0356","0.0356","","0.0984","0.0984","","","","1.06","1.06","1.06","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005815","5.588","0.001","11.645","0.001","18.561","0.002","90","","97.56","0.01","90","","1197.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","none","2',3'-dideoxy-3'-nitro-thymidine","","- C10 H13 N3 O6 -","- C10 H13 N3 O6 -","- C40 H52 N12 O24 -","4","2","SK1024","Neidle, S.; Chattopadhyaya, J. P.; Hossain, N.; Papchikhin, A.","2',3'-Dideoxy-3'-nitrothymidine and 2'-Propoxy-3'-nitrothymidine","Acta Crystallographica Section C","1996","52","12","3173","3177","10.1107/S0108270196009481","","","1.54178","CuKα","","0.0608","0.0551","","0.1722","0.1639","","","","0.894","0.899","0.899","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005816","15.746","0.002","9.373","0.001","11.304","0.002","90","","100.19","0.01","90","","1642","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","none","2'-oxapropyl-3'-nitro-thymidine","","- C13 H19 N3 O7 -","- C13 H19 N3 O7 -","- C52 H76 N12 O28 -","4","1","SK1024","Neidle, S.; Chattopadhyaya, J. P.; Hossain, N.; Papchikhin, A.","2',3'-Dideoxy-3'-nitrothymidine and 2'-Propoxy-3'-nitrothymidine","Acta Crystallographica Section C","1996","52","12","3173","3177","10.1107/S0108270196009481","","","1.54178","CuKα","","0.0657","0.064","","0.1748","0.1725","","","","1.192","1.194","1.194","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005817","12.155","0.002","10.867","0.001","6.415","0.001","77.5","0.01","89.76","0.02","76.51","0.02","803.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2,2':6',2""-Terpyridinium Trifluoromethanesulfonate","","- C16 H12 F3 N3 O3 S -","- C16 H12 F3 N3 O3 S -","- C32 H24 F6 N6 O6 S2 -","2","1","SK1032","Hergold-Brundic, A.; Popovic, Z.; Matkovic-Calogovic, D.","2,2':6',2''-Terpyridinium Trifluoromethanesulfonate, [terpyH](CF~3~SO~3~)","Acta Crystallographica Section C","1996","52","12","3154","3157","10.1107/S0108270196009584","","","0.71073","MoKα","","","0.0448","","","0.0431","","","","","0.646","0.646","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005818","20.568","0.004","9.057","0.002","7.295","0.002","90","","90","","90","","1358.9","0.5","300","2","300","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Sodium Inosinate(1-) 2.5 Water, Na(inosineH~-1~) . 2.5 H~2~O","","- C10 H16 N4 Na O7.5 -","- C10 H16 N4 Na O7.5 -","- C40 H64 N16 Na4 O30 -","4","1","SK1041","Klüfers, P.; Mayer, P.","The Sodium Salt of N1-Deprotonated Inosine, Na^+^.C~10~H~11~N~4~O~5~^{-^}.2.5H~2~O","Acta Crystallographica Section C","1996","52","12","2970","2972","10.1107/S0108270196009043","","","0.71069","MoKa","","0.0248","0.0233","","0.0614","0.0605","","","","1.058","1.072","1.072","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005819","7.732","0.004","8.879","0.006","9.772","0.008","66.92","0.06","85.13","0.06","64.39","0.04","553.6","0.7","293","2","293","2","","","","","","","","5","P 1","P 1","1","","Lithium Bis(1,6-anhydro-β-D-glucosidato(2-)-O^2^,O^4^)cuprate(II) Octahydrate","","- C12 H32 Cu Li2 O18 -","- C12 H32 Cu Li2 O18 -","- C12 H32 Cu Li2 O18 -","1","1","SK1042","Gack, C.; Klüfers, P.","A Homoleptic Cuprate(II) Complex with Deprotonated 1,6-Anhydro-β-<small>D</small>-glucose (Levoglucosan) Ligands","Acta Crystallographica Section C","1996","52","12","2972","2975","10.1107/S010827019600947X","","","0.71073","MoKα","","0.0362","0.0342","","0.0899","0.0871","","","","1.067","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005820","12.383","0.003","12.383","0.003","7.188","0.002","90","","90","","90","","1102.2","0.5","293","2","293","2","","","","","","","","5","I -4","I -4","82","Tetraphenylphosphonium perchlorate","Tetraphenylphosphonium perchlorate","","- C24 H20 Cl O4 P -","- C24 H20 Cl O4 P -","- C48 H40 Cl2 O8 P2 -","2","0.25","SK1044","Vittal, J. J.; Dean, P. A. W.","Tetraphenylphosphonium Perchlorate","Acta Crystallographica Section C","1996","52","12","3185","3188","10.1107/S0108270196010980","","","0.71073","MoKα","","0.1127","0.0491","","0.1236","0.0944","","","","1.046","1.087","1.087","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005821","12.815","0.001","22.5637","0.0008","13.224","0.001","90","","101.306","0.004","90","","3749.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(dicyclohexylammonium) aquadimethyldioxalatostannate.ethanol","","- C32 H62 N2 O10 Sn -","- C32 H62 N2 O10 Sn -","- C128 H248 N8 O40 Sn4 -","4","1","SK1050","Ng, S. W.","Bis(dicyclohexylammonium) Aquadimethyldi(oxalato-<i>O</i>,<i>O</i>')stannate Ethanol Solvate","Acta Crystallographica Section C","1996","52","12","2990","2992","10.1107/S0108270196011286","","","0.71073","MoKα","","0.0465","0.0345","","0.0883","0.0836","","","","1.027","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005822","16.164","0.008","7.194","0.005","11.923","0.005","90","","90","","90","","1386.5","1.3","293","2","290","2","","","","","","","","5","P n a 21","P 2c -2n","33","","[(Trimethylstannyl)cyclopentadienyl]titaniumtrichloride","","- C8 H13 Cl3 Sn Ti -","- C8 H13 Cl3 Sn Ti -","- C32 H52 Cl12 Sn4 Ti4 -","4","1","SK1054","Churakov, A. V.; Kuz'mina, L. G.","Trichloro[η^5^-(trimethylstannyl)cyclopentadienyl]titanium","Acta Crystallographica Section C","1996","52","12","3037","3038","10.1107/S0108270196011365","","","0.71069","MoKα","","0.0666","0.0351","","0.0913","0.0824","","","","1.043","1.168","1.168","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2005823","5.1536","0.0002","12.4441","0.0003","41.2592","0.0011","90","","90","","90","","2646.03","0.14","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 Cl N3 O5 -","- C28 H30 Cl N3 O5 -","- C112 H120 Cl4 N12 O20 -","4","1","SX1013","Janetka, J. W.; Satyshur, K. A.; Rich, D. H.","A Cyclic Side-Chain-Linked Biphenyl Ether Tripeptide: H~3~N^+^-<i>cyclo</i>-[Phe^(4{-^<i>O</i>)}-Phe-Phe^(3{-^<i>O</i>)}]-OMe.Cl^{-^}","Acta Crystallographica Section C","1996","52","12","3112","3114","10.1107/S0108270196009262","","","0.71073","MoKα","","0.0631","0.0497","","0.1198","0.1033","","","","1.173","1.129","1.129","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005824","5.188","0.001","38.076","0.007","9.049","0.001","90","","96.32","0.01","90","","1776.7","0.5","293","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(S)-(4,5-dihydro-2-phenyl-4-oxazolyl)methyl]-(S)-sulfinyloctane","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C72 H108 N4 O8 S4 -","4","2","SX1014","Hempel, A.; Camerman, N.; Grierson, J.; Mastropaolo, D.; Camerman, A.","Stereochemistry of Chiral Sulfoxides used for the Synthesis of Antitumor Antibiotic Analogues of Sparsomycin","Acta Crystallographica Section C","1996","52","12","3207","3210","10.1107/S0108270196009948","","","0.71073","MoKα","","0.1846","0.0781","","0.2351","0.1656","","","","0.947","1.007","1.007","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005825","4.828","0.001","34.865","0.006","5.317","0.001","90","","98.93","0.01","90","","884.2","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(S)-(4,5-dihydro-2-phenyl-4-oxazolyl)methyl]-(R)-sulfinyloctane","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C36 H54 N2 O4 S2 -","2","1","SX1014","Hempel, A.; Camerman, N.; Grierson, J.; Mastropaolo, D.; Camerman, A.","Stereochemistry of Chiral Sulfoxides used for the Synthesis of Antitumor Antibiotic Analogues of Sparsomycin","Acta Crystallographica Section C","1996","52","12","3207","3210","10.1107/S0108270196009948","","","0.71073","MoKα","","0.0832","0.0445","","0.1326","0.1083","","","","0.668","0.698","0.698","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005826","32.492","0.008","7.756","0.003","5.817","0.002","90","","90","","90","","1465.9","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(S)-(4,5-dihydro-2-phenyl-4-oxazolyl)methyl]-(S)-sulfinylphenol","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","SX1014","Hempel, A.; Camerman, N.; Grierson, J.; Mastropaolo, D.; Camerman, A.","Stereochemistry of Chiral Sulfoxides used for the Synthesis of Antitumor Antibiotic Analogues of Sparsomycin","Acta Crystallographica Section C","1996","52","12","3207","3210","10.1107/S0108270196009948","","","1.54178","CuKα","","0.0737","0.0535","","0.1739","0.1623","","","","1.002","1.05","1.05","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005827","27.031","0.001","13.838","0.001","15.286","0.001","90","","123.27","0.01","90","","4780.6","0.7","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","triaquahexakis(μ~2~-acetato)μ~3~-oxocobalt(II)diiron(III) diaquo solvate","","- C12 H28 Co Fe2 O18 -","- C12 Co0.999 Fe2.001 O18 -","- C96 Co7.992 Fe16.008 O144 -","8","1","TA1083","Sato, T.; Ambe, F.","An Oxo-Centered Trinuclear Cobalt(II)–Diiron(III) Acetate–Aqua Complex","Acta Crystallographica Section C","1996","52","12","3005","3007","10.1107/S0108270196008682","","","0.71073","MoKα","","","0.061","","","0.085","","","","","2.2","2.2","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2005828","6.853","0.002","17.675","0.002","10.203","0.002","90","","92.37","0.02","90","","1234.8","0.5","213","1","213","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","TA1091","Hockless, D. C. R.; Whittall, I. R.; Humphrey, M. G.","(<i>E</i>)- and (<i>Z</i>)-4-Ethynyl-4'-nitrostilbene","Acta Crystallographica Section C","1996","52","12","3222","3224","10.1107/S0108270196009845","","","1.5418","CuKα","","","0.0358","","","0.0386","","","","","2.857","2.857","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005829","10.027","0.001","11.037","0.002","12.472","0.001","90","","112.015","0.009","90","","1279.6","0.3","296","1","296","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","TA1091","Hockless, D. C. R.; Whittall, I. R.; Humphrey, M. G.","(<i>E</i>)- and (<i>Z</i>)-4-Ethynyl-4'-nitrostilbene","Acta Crystallographica Section C","1996","52","12","3222","3224","10.1107/S0108270196009845","","","1.5418","CuKα","","","0.0377","","","0.04","","","","","2.876","2.876","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005830","5.309","0.005","10.548","0.004","12.514","0.004","104.55","0.003","95.6","0.005","103.43","0.005","650.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-(tert-Butoxycarbonyl)-2-phenylglycine","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C26 H34 N2 O8 -","2","1","TA1093","González-Cameno, A. M.; Badía, D.; Domínguez, E.; Arriortua, M. I.; Urtiaga, M. K.; Solans, X.","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-2-phenylglycine","Acta Crystallographica Section C","1996","52","12","3169","3171","10.1107/S0108270196009857","","","0.71069","MoKα","","0.1159","0.0676","","0.3275","0.2115","","","","1.054","1.051","1.051","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005831","13.793","0.007","8.247","0.004","13.699","0.007","90","","104.52","0.01","90","","1508.5","1.3","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","3-(4'-Methoxyphenyl)-2,2,4,4-tetramethylpentane","","- C16 H26 O -","- C16 H26 O -","- C64 H104 O4 -","4","1","TA1097","Collins, D. J.; Fallon, G. D.; Jacobs, H. A.","Conformation of Crystalline 3-(4-Methoxyphenyl)-2,2,4,4-tetramethylpentane","Acta Crystallographica Section C","1996","52","12","3232","3234","10.1107/S0108270196011031","","","1.5418","CuKα","","","0.066","","","0.069","","","","","1.72","1.72","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005832","12.603","0.003","9.52","0.001","14.762","0.005","90","0.02","107.81","0.02","90","0.01","1686.3","0.7","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1) trans-4-tert-butylcyclohexyl p-nitrobenzenesulfonate","","- C16 H23 N O5 S -","- C16 H23 N O5 S -","- C64 H92 N4 O20 S4 -","4","1","TA1099","White, J. M.; Giordano, J.; Green, A. J.","<i>cis</i>- and <i>trans</i>-4-<i>tert</i>-Butylcyclohexyl <i>p</i>-Nitrobenzenesulfonate at 130K","Acta Crystallographica Section C","1996","52","12","3204","3207","10.1107/S0108270196009912","","","0.71069","MoKα","","0.0449","0.0379","","0.1064","0.0998","","","","1.041","1.055","1.055","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005833","6.612","0.002","9.333","0.002","13.819","0.003","90","0.02","96.72","0.03","90","0.02","846.9","0.4","130","0.1","130","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(2) cis-4-tert-butylcyclohexyl p-nitrobenzenesulfonate","","- C16 H23 N O5 S -","- C16 H23 N O5 S -","- C32 H46 N2 O10 S2 -","2","1","TA1099","White, J. M.; Giordano, J.; Green, A. J.","<i>cis</i>- and <i>trans</i>-4-<i>tert</i>-Butylcyclohexyl <i>p</i>-Nitrobenzenesulfonate at 130K","Acta Crystallographica Section C","1996","52","12","3204","3207","10.1107/S0108270196009912","","","1.5418","CuKα(nickelfiltered)","","0.0479","0.0408","","0.1755","0.1175","","","","0.837","0.833","0.833","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005834","13.791","0.002","13.791","0.002","20.313","0.004","90","","90","","90","","3863.4","1.1","294","","294","","","","","","","","","5","I 41/a","I 4bw -1bw","","","","","- C12 H21 Cd N6 O6.5 -","- C12 H20 Cd N6 O6.5 -","- C96 H160 Cd8 N48 O52 -","8","","TA1102","Chotalia, R.; Hambley, T. W.; Ridley, D. D.; Turner, P.","A Cadmium(II) Complex of Creatinine, [Cd(C~2~H~3~O~2~)~2~(C~4~H~7~N~3~O)~2~].0.5H~2~O","Acta Crystallographica Section C","1996","52","12","3043","3045","10.1107/S0108270196009833","","","0.7107","MoKα","","0.0305","0.0305","","0.0302","0.0302","","","","2.798","2.798","2.798","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005835","7.7523","0.0007","9.3535","0.0007","6.8139","0.0006","95.432","0.008","111.021","0.007","99.112","0.008","449.19","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diethyl 3,4-di(ethoxycarbonyl)-(2Z,4Z)-hexa-2,4-diene-1,6-dioate","","- C16 H22 O8 -","- C16 H22 O8 -","- C16 H22 O8 -","1","0.5","TA1105","Tani, K.; Yamagata, T.; Kataoka, Y.","Tetraethyl (1<i>Z</i>,3<i>Z</i>)-Buta-1,3-diene-1,2,3,4-tetracarboxylate","Acta Crystallographica Section C","1996","52","12","3138","3140","10.1107/S0108270196009195","","","1.54178","CuKα","","","0.0668","","","0.0558","","","","","1.99","1.99","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005836","7.97","0.002","14.544","0.003","16.502","0.004","90","","100.58","0.05","90","","1880.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-di(o-methyl-phenyl)-3,3-(oxydiethyl)-guanidine hydrochloride monohydrate","","- C19 H26 Cl N3 O2 -","- C19 H26 Cl N3 O2 -","- C76 H104 Cl4 N12 O8 -","4","1","TA1111","Sudha, L.; Subramanian, K.; Senthil Selvan, J.; Steiner, Th.; Koellner, G.; Ramdas, K.; Srinivasan, N.","3,3-(Oxydiethyl)-1,2-di(<i>o</i>-methylphenyl)guanidinium Chloride Monohydrate","Acta Crystallographica Section C","1996","52","12","3238","3240","10.1107/S0108270196011274","","","1.54176","CuKα","","0.041","0.0389","","0.1118","0.111","","","","1.036","1.058","1.058","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2005837","12.661","0.003","7.216","0.001","14.796","0.002","90","","105.44","0.02","90","","1303","0.4","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl2 N O6 -","- C11 H9 Cl2 N O6 -","- C44 H36 Cl8 N4 O24 -","4","1","TA1112","Huang, S. D.; Cox, O.; Cordero, M.; Piñeiro, S.","α,α-Diacetoxy-2,4-dichloro-5-nitrobenzaldehyde","Acta Crystallographica Section C","1996","52","12","3116","3118","10.1107/S010827019601102X","","","0.7107","MoKα","","","0.0571","","","0.0665","","","","","2.63","2.63","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2019327","5.645","0.004","7.286","0.005","9.784","0.007","106.33","0.06","106.03","0.06","99.63","0.05","357.8","0.5","210","2","210","2","","","","","","","","5","P -1","-P 1","2","uranyl bis-nicotinate","di-oxo-uranium(VI) bis-nicotinate","","- C12 H12 N2 O8 U -","- C12 H12 N2 O8 U -","- C12 H12 N2 O8 U -","1","0.5","","Alcock, N. W.; Errington, W.; Kemp, T. J.; Leceiejewicz, J.","Diaquadioxobis(pyridine-3-carboxylato)uranium(VI)","Acta Crystallographica Section C Crystal Structure Communications","1996","52","3","615","","10.1107/S0108270195012972","","","0.71073","MoKα","","0.0216","0.0197","","0.0572","0.0508","","","","1.098","1.098","1.098","","","","","has coordinates","301798","2025-08-19","06:44:15",""
"2019331","8.314","0.003","11.505","0.003","8.418","0.002","90","","90.25","0.02","90","","805.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2R,3S,4S)-Bicyclo[2.2.1]-heptan-3-benzamido-3-carbomethoxy-2-carboxylic acid","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A Conformationally Restricted Aspartic Acid Analogue","Acta Crystallographica Section C Crystal Structure Communications","1996","52","5","1252","","10.1107/S0108270195016106","","","0.71073","MoKα","","0.0492","0.0378","","0.0999","0.0923","","","","1.072","1.086","1.086","","","","","has coordinates","301798","2025-08-19","06:44:15",""
"2019339","10.679","0.003","6.618","0.004","6.978","0.004","90","","90","","90","","493.2","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Potassium Molybdylarsenate","","- As K Mo O6 -","- As K Mo O6 -","- As4 K4 Mo4 O24 -","4","0.5","","Zid, M. F.; Jouini, T.","KMoO2AsO4","Acta Crystallographica Section C Crystal Structure Communications","1996","52","1","3","","10.1107/S0108270195010572","","","0.71069","MoKα","","0.0267","0.024","","0.0713","0.0693","","","","1.108","1.139","1.139","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019348","9.484","0.002","7.812","0.002","26.171","0.005","90","","94.64","0.03","90","","1932.6","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,3-bis(2-imidazolyl)propionic acid hemihydrate","","- C9 H11 N4 O2.5 -","- C9 H11 N4 O2.5 -","- C72 H88 N32 O20 -","8","2","","Gimeno, B.; Sancho, A.; Soto, L.; Legros, J. P.","3,3-Bis(2-imidazolyl)propionic Acid Hemihydrate","Acta Crystallographica Section C Crystal Structure Communications","1996","52","5","1226","","10.1107/S0108270195016222","","","0.71069","MoKα","","","0.04","","","0.043","","","","","2.44","2.44","","","","","has coordinates","188723","2020-10-21","18:00:00",""
"2020047","8.959","","13.677","","9.777","","90","","90","","90","","1198","","","","","","","","","","","","","6","P 21/n 1 1","-P 2xn","14","","(Pt Br2 (C2 H6 O S)2)","","- C4 H12 Br2 O2 Pt S2 -","- C4 Br2 O2 Pt S2 -","- C16 Br8 O8 Pt4 S8 -","4","1","","Loevqvist, K.","cis-Dibromobis(dimethyl sulfoxide-S)platinum(II) and trans-bis(dimethyl sulfoxide-S)diiodoplatinum(II)","Acta Crystallographica C (39,1983-)","1996","52","","1921","1924","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2021867","5.739","0.001","7.621","0.002","36.561","0.005","90","","90","","90","","1599.1","0.5","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N S -","- C18 H14 Cl N S -","- C72 H56 Cl4 N4 S4 -","4","1","","Roche, D.; Métin, J.; Madesclaire, M.","(E)-3-(4-Chlorophenyl)-3-cyclopropyl-2-(phenylthio)acrylonitrile","Acta Crystallographica Section C Crystal Structure Communications","1996","52","12","3104","","10.1107/S0108270196007172","","","0.71073","MoKα","","","0.049","","","0.049","","","","","1.34","1.34","","","","","has coordinates","246028","2020-10-21","18:00:00",""
"9007888","10.076","","10.076","","6.807","","90","","90","","120","","598.498","","","","","","","","","","","","Synthetic","4","P 63/m","-P 6c","176","","","Turneaureite","- As3 Ca5 Cl O12 -","- As3 Ca5 Cl O12 -","- As6 Ca10 Cl2 O24 -","2","0.166667","","Wardojo, T. A.; Hwu, S.-J.","Chlorapatite: Ca5(AsO4)3Cl Note: anisotropic temperature factors taken from ICSD","Acta Crystallographica, Section C","1996","52","","2959","2960","10.1107/S0108270196011006","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9011384","7.9268","","7.9268","","9.1025","","90","","90","","90","","571.948","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","Hydroromarchite","- H2 O4 Sn3 -","- H2 O4 Sn3 -","- H8 O16 Sn12 -","4","0.5","","Abrahams, I.; Grimes, S. M.; Johnston, S. R.; Knowles, J. C.","Tin(II) oxyhydroxide by X-ray powder diffraction Locality: synthetic","Acta Crystallographica, Section C","1996","52","","286","288","10.1107/S0108270195012625","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""