# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-27T00:45:40+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, Section C') AND volume = 60 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
"2013725","10.107","0.002","9.715","0.002","10.62","0.002","90","","118.01","0.03","90","","920.6","0.4","153","2","153","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Bis(methylsulfamido) sulfone","","- C2 H8 N2 O6 S3 -","- C2 H8 N2 O6 S3 -","- C8 H32 N8 O24 S12 -","4","1","AV1137","Taraba, Jan; Žák, Zdirad","The polysulfonylamines bis(methylsulfonamido) sulfone and bis(trifluoromethylsulfonamido) sulfone","Acta Crystallographica Section C","2004","60","1","o79","o81","10.1107/S0108270103019462","","","0.71069","MoKα","","0.058","0.05","","","0.14","0.148","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013726","9.007","0.002","5.537","0.001","20.776","0.004","90","","94.97","0.03","90","","1032.2","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(trifluoromethylsulfamido) sulfone","","- C2 H2 F6 N2 O6 S3 -","- C2 H2 F6 N2 O6 S3 -","- C8 H8 F24 N8 O24 S12 -","4","0.5","AV1137","Taraba, Jan; Žák, Zdirad","The polysulfonylamines bis(methylsulfonamido) sulfone and bis(trifluoromethylsulfonamido) sulfone","Acta Crystallographica Section C","2004","60","1","o79","o81","10.1107/S0108270103019462","","","0.71069","MoKα","","0.052","0.041","","","0.092","0.096","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013727","3.898","0.001","11.966","0.002","15.945","0.003","79.08","0.02","83.54","0.02","87.09","0.02","725.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Methoxypurine hemihydrate","","- C6 H7 N4 O1.5 -","- C6 H6.75 N4 O1.5 -","- C24 H27 N16 O6 -","4","2","AV1151","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Two hydrates of 6-methoxypurine","Acta Crystallographica Section C","2004","60","1","o44","o46","10.1107/S010827010302314X","","","0.71073","MoKα","","0.0762","0.0498","","","0.1162","0.1247","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013728","6.837","0.001","7.819","0.002","10.281","0.002","70.13","0.02","75.49","0.02","80.29","0.02","498.29","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Methoxypurine trihydrate","","- C6 H12 N4 O4 -","- C6 H12 N4 O4 -","- C12 H24 N8 O8 -","2","1","AV1151","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Two hydrates of 6-methoxypurine","Acta Crystallographica Section C","2004","60","1","o44","o46","10.1107/S010827010302314X","","","0.71073","MoKα","","0.0536","0.0373","","","0.0902","0.0938","","","","","","0.92","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013729","5.041","0.001","6.547","0.001","7.247","0.001","90","","96.98","0.02","90","","237.4","0.07","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","5-Methylsulfanyl-1H-tetrazole (α-form)","","- C2 H4 N4 S -","- C2 H4 N4 S -","- C4 H8 N8 S2 -","2","0.5","AV1152","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Two dimorphs of 5-methylsulfanyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","2004","60","1","o47","o49","10.1107/S0108270103022704","","","0.71073","MoKα","","0.0332","0.0293","","","0.0679","0.0693","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013730","7.714","0.002","9.833","0.002","6.679","0.001","90","","90","","90","","506.61","0.18","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","5-Methylsulfanyl-1H-tetrazole (β-form)","","- C2 H4 N4 S -","- C2 H4 N4 S -","- C8 H16 N16 S4 -","4","0.5","AV1152","Natalya Fridman; Moshe Kapon; Menahem Kaftory","Two dimorphs of 5-methylsulfanyl-1<i>H</i>-tetrazole","Acta Crystallographica Section C","2004","60","1","o47","o49","10.1107/S0108270103022704","","","0.71073","MoKα","","0.0481","0.0311","","","0.0654","0.0668","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013731","6.51","0.001","8.971","0.001","11.085","0.002","70.746","0.002","73.108","0.002","73.807","0.002","572.66","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,5-diphenylhydroquinone‒2-pyridone (1/2)","","- C28 H24 N2 O4 -","- C28 H21.476 N2 O4 -","- C28 H21.476 N2 O4 -","1","0.5","AV1153","Tali Lavy; Yana Sheynin; Moshe Kapon; Menahem Kaftory","Inclusion compounds of 2,5-diphenylhydroquinone","Acta Crystallographica Section C","2004","60","1","o50","o53","10.1107/S0108270103022716","","","0.71073","MoKα","","0.0546","0.042","","","0.1187","0.1263","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013732","9.413","0.002","10.042","0.002","11.848","0.002","65.74","0.02","81.57","0.02","62.81","0.02","907","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,5-diphenylhydroquinone‒1,3-diphenyl-2-propen-1-one (1/2)","","- C48 H38 O4 -","- C48 H38 O4 -","- C48 H38 O4 -","1","0.5","AV1153","Tali Lavy; Yana Sheynin; Moshe Kapon; Menahem Kaftory","Inclusion compounds of 2,5-diphenylhydroquinone","Acta Crystallographica Section C","2004","60","1","o50","o53","10.1107/S0108270103022716","","","0.71073","MoKα","","0.1132","0.043","","","0.1126","0.142","","","","","","0.863","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013733","10.322","0.002","11.051","0.002","18.041","0.003","83.11","0.02","75.54","0.02","89.7","0.02","1977.7","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,5-diphenylhydroquinone‒1-(4-methoxyphenyl)-3-phenyl-2-propen-1-one (1/2)","","- C50 H42 O6 -","- C50 H42 O6 -","- C100 H84 O12 -","2","1","AV1153","Tali Lavy; Yana Sheynin; Moshe Kapon; Menahem Kaftory","Inclusion compounds of 2,5-diphenylhydroquinone","Acta Crystallographica Section C","2004","60","1","o50","o53","10.1107/S0108270103022716","","","0.71073","MoKα","","0.1886","0.0677","","","0.1775","0.2244","","","","","","0.852","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013734","9.746","0.005","12.78","0.007","13.315","0.007","113.132","0.009","104.763","0.009","96.916","0.009","1428.7","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquatris-bis[(μ-2-Fluorobenzoato-o,o':o')(μ-2-Fluorobenzoato-o,o' (2-Fluorobenzoato-o)(4,4'-bipyridine-N)-lanthanum(III)]","","- C31 H22 F3 La N2 O7 -","- C31 H22 F3 La N2 O7 -","- C62 H44 F6 La2 N4 O14 -","2","1","AV1158","Li, Xia; Zou, Ying-Quan; Song, Hai-Bin","Tetra-μ-2-fluorobenzoato-bis[aqua(4,4'-bipyridine)(2-fluorobenzoato)lanthanum(III)]","Acta Crystallographica Section C","2004","60","3","m110","m111","10.1107/S0108270103029470","","","0.71073","MoKα","","0.0412","0.03","","","0.0677","0.08","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013735","19.3587","0.0015","6.7658","0.0005","12.7869","0.0007","90","","90","","90","","1674.8","0.2","180","","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Tetrapotassium vanadium diphosphorus nonasulfide","","- K4 P2 S9 V -","- K4 P2 S9 V -","- K16 P8 S36 V4 -","4","1","AV1159","Gutzmann, Andreas; Näther, Christian; Bensch, Wolfgang","K~4~VP~2~S~9~","Acta Crystallographica Section C","2004","60","2","i11","i13","10.1107/S0108270103026623","","","0.71073","MoKα","","0.051","0.048","","","0.124","0.127","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013736","9.1835","0.0006","7.8999","0.0006","18.2023","0.0013","90","","98.598","0.006","90","","1305.71","0.16","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(2-pyridyl)-1,2-diaminobenzene","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","1","AV1160","Maria Gdaniec; Igor Bensemann; Tadeusz Połoński","<i>N</i>,<i>N</i>'-Bis(2-pyridyl)benzene-1,2-diamine","Acta Crystallographica Section C","2004","60","3","o215","o216","10.1107/S010827010400068X","","","0.71073","MoKα","","0.0532","0.0455","","","0.1168","0.1248","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013737","8.203","0.003","11.566","0.004","14.534","0.004","90","","91.025","0.003","90","","1378.7","0.8","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[sodium-μ~4~-3,5-dicarboxybenzenesulfonate- κ^4^O:O':O'':O'''-μ~2~-urea-κ^2^O:N] monohydrate]","","- C9 H11 N2 Na O9 S -","- C9 H11 N2 Na O9 S -","- C36 H44 N8 Na4 O36 S4 -","4","1","AV1161","Stoś, Elżbieta; Lis, Tadeusz; Videnova-Adrabińska, Veneta","Polymeric sodium 3,5-dicarboxybenzenesulfonate‒urea‒water (1/1/1)","Acta Crystallographica Section C","2004","60","3","m114","m116","10.1107/S0108270104000691","","","0.71073","MoKα","","0.0492","0.0346","","","0.0862","0.091","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013738","7.6353","0.0008","7.6077","0.0008","16.335","0.002","90","","92.19","0.009","90","","948.16","0.18","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Zinc catena-polyphosphate","","- O6 P2 Zn -","- O6 P2 Zn -","- O48 P16 Zn8 -","8","2","BC1027","Weil, Matthias","The high-temperature modification of zinc <i>catena</i>-polyphosphate, β-Zn(PO~3~)~2~","Acta Crystallographica Section C","2004","60","2","i20","i22","10.1107/S0108270103025666","","","0.71073","MoKα","","0.0228","0.0199","","","0.0422","0.043","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013739","9.161","0.001","9.161","0.001","4.114","0.001","90","","90","","120","","299.01","0.09","293","2","293","2","","","","","","","","3","P -6 2 m","P -6 -2","189","uranium cobalt tetraaluminide","uranium cobalt tetraaluminide","","- Al4 Co U -","- Al4 Co U -","- Al12 Co3 U3 -","3","0.25","BC1029","Stêpieň-Damm, J.; Tougait, O.; Zaremba, V.I.; Noël, H.; Troc,̆ R.","Uranium cobalt tetraaluminide, UCoAl~4~","Acta Crystallographica, Section C","2004","60","","i7","i8","10.1107/S0108270103027252","","","0.71073","MoKα","","0.025","0.022","","","0.037","0.037","","","","","","1.007","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013740","9.4316","0.0007","9.4316","0.0007","8.3595","0.0008","90","","90","","120","","643.99","0.09","297","2","","","","","","","","","","6","P -6 2 c","P -6c -2c","190","rubidium grimselite","rubidium sodium uranyl tricarbonate hydrate","","- C3 H Na O11.5 Rb3 U -","- C3 Na O11.5 Rb3 U -","- C6 Na2 O23 Rb6 U2 -","2","0.166667","BC1032","Hughes Kubatko, Karrie-Ann; Burns, Peter C.","The Rb analogue of grimselite, Rb~6~Na~2~[(UO~2~)(CO~3~)~3~]~2~(H~2~O)","Acta Crystallographica Section C","2004","60","3","i25","i26","10.1107/S0108270103028312","","","0.71073","MoKα","","","0.034","","","","0.085","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","283803","2023-05-16","08:05:52",""
"2013741","10.404","0.002","10.404","0.002","7.996","0.003","90","","90","","120","","749.6","0.3","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","europium(II) oxyiodide","tetraeuropium hexaiodine oxygen","","- Eu4 I6 O -","- Eu4 I6 O -","- Eu8 I12 O2 -","2","0.166667","BC1033","Liao, Wuping; Dronskowski, Richard","Europium(II) oxyiodide","Acta Crystallographica Section C","2004","60","3","i23","i24","10.1107/S0108270103028671","","","0.71073","MoKα","","0.0281","0.0267","","","0.0658","0.0667","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013742","7.0148","0.001","15.896","0.004","18.587","0.005","90","","96.548","0.018","90","","2059.1","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","mer-(4-Aminobenzenesulfonate-κN)triaqua(1,10-phenanthroline- κ^2^N,N')cobalt(II) chloride","","- C18 H20 Cl Co N3 O6 S -","- C18 H20 Cl Co N3 O6 S -","- C72 H80 Cl4 Co4 N12 O24 S4 -","4","1","BM1550","Ming-Hua Huang; Li-Hua Bi; Shao-Jun Dong","<i>mer</i>-(4-Aminobenzenesulfonato-κ<i>N</i>)triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) chloride","Acta Crystallographica Section C","2004","60","1","m30","m32","10.1107/S0108270103026957","","","0.71073","MoKα","","0.0507","0.0343","","","0.0711","0.0731","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013743","9.2875","0.0002","9.9802","0.0002","10.9261","0.0002","63.4321","0.0008","82.2565","0.0007","77.946","0.0008","884.85","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-hydroxo-bis({bis[2-(2-pyridyl)ethyl]amine-κ^3^N}copper(II)) dichloride hexahydrate","","- C28 H48 Cl2 Cu2 N6 O8 -","- C28 H42 Cl2 Cu2 N6 O8 -","- C28 H42 Cl2 Cu2 N6 O8 -","1","0.5","BM1551","Leaver, Stewart A.; Kilner, Colin A.; Halcrow, Malcolm A.","Di-μ-hydroxo-bis({bis[2-(2-pyridyl)ethyl]amine-κ^3^<i>N</i>}copper(II)) dichloride hexahydrate","Acta Crystallographica Section C","2004","60","1","m1","m3","10.1107/S0108270103026064","","","0.71073","MoKα","","0.035","0.032","","","0.085","0.088","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013744","16.805","0.0008","10.0004","0.0005","18.6253","0.0009","90","","95.241","0.002","90","","3117","0.3","150","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N S2 -","- C19 H15 N S2 -","- C152 H120 N8 S16 -","8","2","BM1552","Palenzuela Conde, Jesús; Elsegood, Mark R. J.; Ryder, Karl S.","<i>N</i>-Benzyl-2,5-bis(2-thienyl)pyrrole","Acta Crystallographica Section C","2004","60","3","o166","o168","10.1107/S0108270103029639","","","0.71073","MoKα","","","0.0464","","","","0.1344","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013745","8.9837","0.0008","9.56","0.0008","10.1222","0.0009","90","","98.225","0.002","90","","860.39","0.13","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","N-(2-Fluoroethyl)-3β-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2α- carboxamide","","- C17 H22 F I N2 O -","- C17 H22 F I N2 O -","- C34 H44 F2 I2 N4 O2 -","2","1","BM1554","Krebs, Birte; Flörke, Ulrich","<i>N</i>-(2-Fluoroethyl)-3β-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2α-carboxamide: a new cocaine derivative with equatorially attached ligands","Acta Crystallographica Section C","2004","60","2","o118","o119","10.1107/S0108270103027835","","","0.71073","MoKα","","0.035","0.031","","","0.07","0.071","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013746","18.171","0.004","22.13","0.005","23.251","0.007","90","","90","","90","","9350","4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Heptaaquatetra-μ~3~-hydroxy-hexa-μ~2~-L-leucine-(L-leucine)tetraytterbium(III) tetrachloratezinc(II) trichlorohydroxyzinc(II) tetrachloride octahydrate","","- C42 H126 Cl11 N7 O34 Yb4 Zn2 -","- C42 H126 Cl11 N7 O34 Yb4 Zn2 -","- C168 H504 Cl44 N28 O136 Yb16 Zn8 -","4","1","BM1556","Jinping Wang; Chunji Niu; Ninghai Hu","Heptaaquatetra-μ~3~-hydroxy-hexa-μ~2~-<small>L</small>-leucine-(<small>L</small>-leucine)tetraytterbium(III) tetrachlorozinc(II) trichlorohydroxyzinc(II) tetrachloride octahydrate","Acta Crystallographica Section C","2004","60","3","m143","m146","10.1107/S0108270104002264","","","0.71073","MoKα","","0.0993","0.0534","","","0.0939","0.1003","","","","","","1.062","","","","has coordinates,has Fobs","203832","2020-10-21","18:00:00",""
"2013747","10.6661","0.0007","7.5042","0.0005","11.126","0.0008","90","","109.404","0.002","90","","839.95","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[lead(II)-μ~2~-aqua-μ~3~-terephthalato]","","- C8 H6 O5 Pb -","- C8 H6 O5 Pb -","- C32 H24 O20 Pb4 -","4","1","BM1557","Dale, Sophie H.; Elsegood, Mark R. J.; Kainth, Sarita","Poly[lead(II)-μ~2~-aqua-μ~4~-terephthalato]","Acta Crystallographica Section C","2004","60","2","m76","m78","10.1107/S0108270103029573","","","0.71073","MoKα","","0.0257","0.0228","","","0.0554","0.057","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013748","8.0612","0.0004","8.0612","0.0004","36.648","0.003","90","","90","","90","","2381.5","0.3","297","2","297","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C20 H10 F12 N2 O4 Zn -","- C20 H10 F12 N2 O4 Zn -","- C80 H40 F48 N8 O16 Zn4 -","4","0.5","DE1228","Juan Granifo; María Teresa Garland; Ricardo Baggio","<i>catena</i>-Poly[[bis(hexafluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","2","m97","m100","10.1107/S0108270104000198","","","0.71073","MoKα","","0.0731","0.0482","","","0.1196","0.1319","","","","","","0.937","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013749","8.1002","0.001","7.8837","0.001","23.108","0.003","90","","90.828","0.01","90","","1475.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^1^-(2,6-Dimethylphenyl)-N^2^-hydroxy-α-oxo-α-phenylacetamidine","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","DN1035","Soylu, Serkan; Tas̨, Murat; Saraçoĝlu, Hanife; Batı, Hümeyra; Çalıs̨kan, Nezihe; Büyükgüngör, Orhan","<i>N</i>^1^-(2,6-Dimethylphenyl)-<i>N</i>^2^-hydroxy-α-oxo-α-phenylacetamidine","Acta Crystallographica Section C","2004","60","2","o115","o117","10.1107/S0108270103028178","","","0.71073","MoKα","","0.087","0.042","","","0.105","0.116","","","","","","0.873","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013750","7.612","0.002","12.409","0.008","22.032","0.007","90","","94.97","0.03","90","","2073.3","1.6","180","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(benzylammonium) hexachlorotin(IV)","","- C14 H20 Cl6 N2 Sn -","- C14 H20 Cl6 N2 Sn -","- C56 H80 Cl24 N8 Sn4 -","4","1","DN1036","Rademeyer, Melanie","Bis(benzylammonium) hexachlorotin(IV)","Acta Crystallographica Section C","2004","60","2","m55","m56","10.1107/S0108270103028270","","","0.71073","MoKα","","0.063","0.053","","","0.115","0.12","","","","","","1.155","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013751","11.438","0.002","13.869","0.002","15.635","0.005","90","","109.75","0.05","90","","2334.3","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris(glutarato)dilanthanum(III) dihydrate","","- C15 H26 La2 O17 -","- C15 H26 La2 O17 -","- C60 H104 La8 O68 -","4","1","DN1038","Belkacem Benmerad; Acoura Guehria-Laïdoudi; Slimane Dahaoui; Claude Lecomte","A polynuclear coordination glutarate of lanthanum(III) with an uncommon cage feature","Acta Crystallographica Section C","2004","60","3","m119","m122","10.1107/S0108270104000848","","","0.71073","MoKα","","0.0798","0.0385","","","0.0747","0.0839","","","","","","1.051","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013752","9.4222","0.0019","12.803","0.003","14.452","0.003","105.673","0.002","104.037","0.002","104.891","0.002","1528.3","0.6","184","2","184","2","","","","","","","","5","P -1","-P 1","2","","Tribiguanidomanganese(iV) biguuanidium hexanitrate","","- C8 H30 Mn N26 O18 -","- C8 H30 Mn N26 O18 -","- C16 H60 Mn2 N52 O36 -","2","1","FA1036","Lu, Liping; Zhu, Miaoli; Yang, Pin","Cocrystal of the [Mn^IV^(C~2~H~7~N~5~)~3~]^4+^ ion and biguanidium: a double hydrogen-bond interaction with guanidinium-recognizing anions","Acta Crystallographica Section C","2004","60","1","m18","m20","10.1107/S0108270103024892","","","0.71073","MoKα","","0.0578","0.0455","","","0.1053","0.11","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013753","14.2587","0.0009","8.5369","0.0006","14.9245","0.001","90","","90","","90","","1816.7","0.2","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4,6-trimethylbenzamide","","- C10 H13 N O -","- C10 H13 N O -","- C80 H104 N8 O8 -","8","1","FA1038","Maria Gdaniec; Teresa Olszewska; Tadeusz Połoński","2,4,6-Trimethylbenzamide","Acta Crystallographica Section C","2004","60","1","o41","o43","10.1107/S0108270103026611","","","0.71073","MoKα","","0.0865","0.0425","","","0.0768","0.0903","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013754","10.7189","0.0009","11.1479","0.0013","17.0975","0.0016","102.472","0.006","106.903","0.006","94.8","0.006","1885","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis{bis[5-tert-butyl-2-oxido-3-(1-pyridiniomethyl)phenyl]methane}dioxouranium bis(trifluoromethanesulfonate) pyridine disolvate","","- C78 H86 F6 N6 O12 S2 U -","- C78 H86 F6 N6 O12 S2 U -","- C78 H86 F6 N6 O12 S2 U -","1","0.5","FA1040","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel; Masci, Bernardo","Bis{bis[5-<i>tert</i>-butyl-2-oxido-3-(1-pyridiniomethyl)phenyl]methane}dioxouranium bis(trifluoromethanesulfonate) pyridine disolvate: a uranyl bis(diphenoxide) complex resulting from homooxacalixarene cleavage","Acta Crystallographica Section C","2004","60","1","m27","m29","10.1107/S0108270103027513","","","0.71073","MoKα","","0.087","0.051","","","0.087","0.096","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013755","9.972","0.002","13.751","0.002","18.516","0.004","90","","97.047","0.008","90","","2519.8","0.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[bis(pyrimidin-2-yl-κN)amine](dicyanamido- κN^1^)(trifluoromethanesulfonato-κO)copper(II) ethanol hemisolvate","","- C20 H17 Cu F3 N13 O3.5 S -","- C19 H14 Cu F3 N13 O3 S -","- C76 H56 Cu4 F12 N52 O12 S4 -","4","1","FA1041","Kooijman, Huub; Spek, Anthony L.; Albada, Gerard A. van; Gamez, Patrick; Reedijk, Jan","Bis[bis(pyrimidin-2-yl-κ<i>N</i>)amine](dicyanamido-κ<i>N</i>^1^)(trifluoromethanesulfonato-κ<i>O</i>)copper(II) ethanol hemisolvate forms a hydrogen-bonded chain","Acta Crystallographica Section C","2004","60","2","m51","m54","10.1107/S0108270103028385","","","0.71073","MoKα","","0.085","0.043","","","0.095","0.104","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013756","6.878","0.001","9.0432","0.0014","15.613","0.002","73.631","0.017","82.265","0.016","82.091","0.018","918.2","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,3,5,6-tetrakis(naphthalen-2-ylsulfanylmethyl)pyrazine","","- C48 H36 N2 S4 -","- C48 H36 N2 S4 -","- C48 H36 N2 S4 -","1","0.5","FA1045","Jessica Pacifico; Helen Stoeckli-Evans","Two triclinic polymorphs of 2,3,5,6-tetrakis(naphthalen-2-ylsulfanylmethyl)pyrazine","Acta Crystallographica Section C","2004","60","2","o152","o155","10.1107/S010827010400023X","","","0.71073","MoKα","","0.0863","0.0349","","","0.0695","0.0822","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013757","5.7641","0.0011","9.7771","0.0019","18.006","0.004","75.4","0.02","87.87","0.02","86.66","0.02","980","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,3,5,6-tetrakis(naphthalen-2-ylsulfanylmethyl)pyrazine","","- C48 H36 N2 S4 -","- C48 H36 N2 S4 -","- C48 H36 N2 S4 -","1","0.5","FA1045","Jessica Pacifico; Helen Stoeckli-Evans","Two triclinic polymorphs of 2,3,5,6-tetrakis(naphthalen-2-ylsulfanylmethyl)pyrazine","Acta Crystallographica Section C","2004","60","2","o152","o155","10.1107/S010827010400023X","","","0.71073","MoKα","","0.1161","0.0344","","","0.0646","0.0859","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013758","9.835","0.003","19.229","0.002","16.75","0.006","90","","90","","90","","3167.7","1.5","208","2","","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C34 H26 Cd F4 N8 -","- C34 H26 Cd F4 N8 -","- C136 H104 Cd4 F16 N32 -","4","0.5","FA1048","Hörner, Manfredo; Carratu, Vanessa S.; Bordinhao, Jairo; Silva, Angela; Niquet, Elke","<i>cis</i>-Bis[1,3-bis(2-fluorophenyl)triazenido-κ^2^<i>N</i>^1^,<i>N</i>^3^]bis(pyridine-κ<i>N</i>)cadmium(II)","Acta Crystallographica Section C","2004","60","3","m140","m142","10.1107/S0108270104002380","","","0.71073","MoKα","","","0.0214","","","","0.053","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013759","7.0399","0.0007","12.5636","0.0012","8.6695","0.0008","90","","90","","90","","766.79","0.13","110","2","110","2","","","","","","","","4","P m n 21","P 2ac -2","31","","N,N-dimethylanilinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate","","- C16 H13 N5 O2 -","- C16 H13 N5 O2 -","- C32 H26 N10 O4 -","2","0.5","FG1710","Tafeenko, Viktor A.; Peschar, Rene; Kaukova, Olga V.; Schenk, Henk; Aslanov, Leonid A.","<i>N</i>,<i>N</i>-Dimethylanilinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate","Acta Crystallographica Section C","2004","60","1","o62","o64","10.1107/S0108270103025940","","","0.71073","MoKα","","0.0711","0.0492","","","0.1025","0.1124","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013760","5.4356","0.0016","13.992","0.004","17.955","0.005","90","","96.382","0.005","90","","1357.1","0.7","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3-Pyridinio)-5-(3-pyridyl)-1,3,4-oxadiazole perchlorate","","- C12 H9 Cl N4 O5 -","- C12 H9 Cl N4 O5 -","- C48 H36 Cl4 N16 O20 -","4","1","FG1713","Miao Du; Xiao-Jun Zhao","Three-dimensional hydrogen-bonding supramolecular architecture of 2-(3-pyridinio)-5-(3-pyridyl)-1,3,4-oxadiazole perchlorate","Acta Crystallographica Section C","2004","60","1","o54","o56","10.1107/S0108270103026659","","","0.71073","MoKα","","0.1174","0.0595","","","0.1347","0.1547","","","","","","1.14","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013761","6.3709","0.0003","6.3296","0.0003","14.5646","0.0006","90","","99.629","0.003","90","","579.05","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 F6 N8 Zr -","- C2 H14 F6 N8 Zr -","- C4 H28 F12 N16 Zr2 -","2","0.5","FG1714","C.R. Ross II; M. R. Bauer; R. M. Nielson; Abrahams, S. C.","Bis[aminoguanidinium(1+)] hexafluorozirconate(IV): redeterminations and normal probability analysis","Acta Crystallographica Section C","2004","60","1","m24","m26","10.1107/S0108270103027264","","","0.71073","MoKα","","0.0214","0.0187","","","0.0508","0.0529","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013762","6.3705","0.0004","6.3288","0.0009","14.563","0.0008","90","","99.606","0.004","90","","578.91","0.1","283","2","283","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aminoguanidinium(1+) hexafluorozirconate","","- C2 H14 F6 N8 Zr -","- C2 H14 F6 N8 Zr -","- C4 H28 F12 N16 Zr2 -","2","0.5","FG1714","C.R. Ross II; M. R. Bauer; R. M. Nielson; Abrahams, S. C.","Bis[aminoguanidinium(1+)] hexafluorozirconate(IV): redeterminations and normal probability analysis","Acta Crystallographica Section C","2004","60","1","m24","m26","10.1107/S0108270103027264","","","0.71073","MoKα","","0.0209","0.0186","","","0.0472","0.0492","","","","","","1.134","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013763","7.954","0.006","9.681","0.007","14.037","0.01","90","","96.449","0.012","90","","1074","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-bipyridinium(1+) bromide monohydrate","","- C10 H11 Br N2 O -","- C10 H11 Br N2 O -","- C40 H44 Br4 N8 O4 -","4","1","FG1717","Bowen, Richard J.; Fernandes, Manuel A.; Gitari, Patricia W.; Layh, Marcus","2,2'-Bipyridinium(1+) bromide monohydrate","Acta Crystallographica Section C","2004","60","2","o113","o114","10.1107/S0108270103028282","","","0.71073","MoKα","","0.061","0.037","","","0.092","0.102","","","","","","1.031","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013764","8.5159","0.0017","5.9128","0.0012","21.586","0.004","90","","96.32","0.03","90","","1080.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Dichloro(dimethyl sulfide-κS)(pyridine-κN)platinum(II)","","- C7 H11 Cl2 N Pt S -","- C7 H11 Cl2 N Pt S -","- C28 H44 Cl8 N4 Pt4 S4 -","4","1","FG1718","Burrow, Robert A.; Facco, Janaina T.; Lang, Ernesto S.; Farrar, David H.; Lough, Alan J.","<i>trans</i>-Dichloro(dimethyl sulfide-κ<i>S</i>)(pyridine-κ<i>N</i>)platinum(II)","Acta Crystallographica Section C","2004","60","1","m7","m9","10.1107/S0108270103026465","","","0.71073","MoKα","","0.068","0.038","","","0.076","0.082","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013765","5.9194","0.0008","5.9245","0.0008","10.5821","0.0014","90","","94.326","0.003","90","","370.05","0.09","208","2","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","acetone peroxide","3,3,6,6-tetramethyl-1,2,4,5-tetroxane","","- C6 H12 O4 -","- C6 H12 O4 -","- C12 H24 O8 -","2","0.5","FG1722","Gelalcha, Feyissa Gadissa; Schulze, Bärbel; Lönnecke, Peter","3,3,6,6-Tetramethyl-1,2,4,5-tetroxane: a twinned crystal structure","Acta Crystallographica Section C","2004","60","3","o180","o182","10.1107/S010827010400112X","","","0.71073","MoKα","","","0.0447","","","","0.1127","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013766","7.6817","0.0004","7.8385","0.0003","18.0466","0.0009","90","","97.708","0.002","90","","1076.82","0.09","100","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C40 H60 N4 O16 -","4","1","FG1724","Bjorn Olesen; Marcus R. Bond","(1<i>E</i>)-2-(Diacetylamino)-1-methylprop-1-enyl acetate","Acta Crystallographica Section C","2004","60","3","o196","o197","10.1107/S0108270104000332","","","0.71073","MoKα","","0.0642","0.0416","","","0.0881","0.0991","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013767","20.983","0.0002","20.983","0.0002","7.6436","0.0001","90","","90","","120","","2914.5","0.05","110","2","110","2","","","","","","","","4","P -3","-P 3","147","","cyclohexanone oxime","","- C6 H11 N O -","- C6 H11 N O -","- C108 H198 N18 O18 -","18","3","FG1726","Lutz, Martin; Spek, Anthony L.; Dabirian, Reza; van Walree, Cornelis A.; Jenneskens, Leonardus W.","Twinning by merohedry in cyclohexanone oxime: a revised structure","Acta Crystallographica Section C","2004","60","2","o127","o129","10.1107/S0108270103029196","","","0.71073","MoKα","","0.0463","0.0366","","","0.0899","0.0972","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013768","20.983","0.0003","20.983","0.0003","7.621","0.0001","90","","90","","120","","2905.88","0.07","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","cyclohexanone oxime","","- C6 H11 N O -","- C6 H11 N O -","- C108 H198 N18 O18 -","18","3","FG1726","Lutz, Martin; Spek, Anthony L.; Dabirian, Reza; van Walree, Cornelis A.; Jenneskens, Leonardus W.","Twinning by merohedry in cyclohexanone oxime: a revised structure","Acta Crystallographica Section C","2004","60","2","o127","o129","10.1107/S0108270103029196","","","0.71073","MoKα","","0.0412","0.0344","","","0.0849","0.0891","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013769","7.8727","0.0002","8.9846","0.0002","11.3927","0.0003","90","","96.345","0.001","90","","800.9","0.03","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MeSalen","N,N-bis(2-methoxybenzylidene)ethane-1,2-diamine","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","0.5","FG1727","Reglinski, John; Taylor, Michelle K; Kennedy, Alan R","<i>N</i>,<i>N</i>'-Bis(2-methoxybenzylidene) adducts of ethane-1,2-diamine, propane-1,3-diamine and butane-1,4-diamine","Acta Crystallographica Section C","2004","60","3","o169","o172","10.1107/S0108270104001404","","","0.71073","MoKα","","0.0407","0.0359","","","0.094","0.0978","","","","","","1.021","","","","has coordinates","192305","2020-10-21","18:00:00",""
"2013770","8.8669","0.0002","9.9139","0.0003","10.2724","0.0004","101.14","0.002","92.341","0.002","109.442","0.002","830.05","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","MeSalpr","N,N-bis(2-methoxybenzylidene)propane-1,3-diamine","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","FG1727","Reglinski, John; Taylor, Michelle K; Kennedy, Alan R","<i>N</i>,<i>N</i>'-Bis(2-methoxybenzylidene) adducts of ethane-1,2-diamine, propane-1,3-diamine and butane-1,4-diamine","Acta Crystallographica Section C","2004","60","3","o169","o172","10.1107/S0108270104001404","","","0.71073","MoKα","","0.0963","0.0468","","","0.1042","0.1216","","","","","","0.986","","","","has coordinates","192306","2020-10-21","18:00:00",""
"2013771","4.6903","0.0002","14.2387","0.0006","13.217","0.0005","90","","91.002","0.002","90","","882.55","0.06","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MeSalbu","N,N-bis(2-methoxybenzylidene)butane-1,4-diamine","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","0.5","FG1727","Reglinski, John; Taylor, Michelle K; Kennedy, Alan R","<i>N</i>,<i>N</i>'-Bis(2-methoxybenzylidene) adducts of ethane-1,2-diamine, propane-1,3-diamine and butane-1,4-diamine","Acta Crystallographica Section C","2004","60","3","o169","o172","10.1107/S0108270104001404","","","0.71073","MoKα","","0.0824","0.0422","","","0.0884","0.1031","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013772","9.246","0.003","10.228","0.004","11.177","0.004","80.529","0.006","86.335","0.007","65.12","0.006","945.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-(4-chlorophenyl)-1-(4-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro- 1H-indol-4-one","","- C22 H19 Cl F N O -","- C22 H19 Cl F N O -","- C44 H38 Cl2 F2 N2 O2 -","2","1","FG1731","Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","An analysis of C—H···O and C—H···π interactions in three substituted 4-ketotetrahydroindoles","Acta Crystallographica Section C","2004","60","3","o219","o222","10.1107/S0108270104002707","","","0.71073","MoKα","","0.0719","0.0502","","","0.1084","0.1182","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013773","10.112","0.002","19.073","0.004","11.287","0.003","90","","116.348","0.003","90","","1950.7","0.8","293","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro- 1H-indol-4-one","","- C23 H22 F N O2 -","- C23 H22 F N O2 -","- C92 H88 F4 N4 O8 -","4","1","FG1731","Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","An analysis of C—H···O and C—H···π interactions in three substituted 4-ketotetrahydroindoles","Acta Crystallographica Section C","2004","60","3","o219","o222","10.1107/S0108270104002707","","","0.71073","MoKα","","0.0556","0.0413","","","0.0986","0.1062","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013774","9.315","0.005","9.793","0.005","11.048","0.006","81.362","0.009","65.691","0.007","77.999","0.008","896","0.8","293","2","273","2","","","","","","","","4","P -1","-P 1","2","","6,6-dimethyl-1,2-diphenyl-4,5,6,7-tetrahydro-1H-indol-4-one","","- C22 H21 N O -","- C22 H21 N O -","- C44 H42 N2 O2 -","2","1","FG1731","Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","An analysis of C—H···O and C—H···π interactions in three substituted 4-ketotetrahydroindoles","Acta Crystallographica Section C","2004","60","3","o219","o222","10.1107/S0108270104002707","","","0.71073","MoKα","","0.0522","0.0397","","","0.0964","0.1042","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013775","6.18","0.0012","44.16","0.009","9.774","0.002","90","","108.26","0.03","90","","2533.1","1","173","1","173","1","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(1H-Indol-3-ylmethylene)-1-aza-bicyclo[2.2.2]octan-3-one","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C128 H128 N16 O8 -","8","2","FR1450","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(1<i>H</i>-Indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section C","2004","60","1","o6","o8","10.1107/S0108270103026076","","","0.71073","MoKα","","0.0595","0.0482","","","0.0778","0.0804","","","","","","1.122","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013776","15.4723","0.0002","10.5669","0.0008","11.185","0.0008","90","","98.9","0.003","90","","1806.67","0.19","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(2-Chlorophenyl)diazenyl]-6-methoxy-2- {[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1-one","","- C18 H20 Cl N3 O5 -","- C18 H20 Cl N3 O5 -","- C72 H80 Cl4 N12 O20 -","4","1","FR1451","Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Thöne, Carsten; Erdönmez, Ahmet","4-[(2-Chlorophenyl)diazenyl]-6-methoxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one","Acta Crystallographica Section C","2004","60","2","o133","o135","10.1107/S010827010302941X","","","0.71073","MoKα","","0.055","0.0369","","","0.0963","0.1054","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013777","11.579","0.001","17.4011","0.0015","13.0453","0.0011","90","","110.488","0.002","90","","2462.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8bS,13aS,14R,14aR)-8b,9,11,12,13,13a,14,14a-octahydro-14-hydroxy-2,3,6,7- tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinolin-11-one acetone solvate","","- C27 H33 N O7 -","- C27 H33 N O7 -","- C108 H132 N4 O28 -","4","1","FR1452","Nygren, Cara; Chen, Tianniu; Zhong, Sanbao; Kaczmarek, Conrad; Turner, John F. C.; Baker, David C.","A pair of epimeric 13-hydroxy-2,3,6,7-tetramethoxy-8b,11,12,12a,13,13a-hexahydro-9<i>H</i>-9a-azacyclopenta[<i>b</i>]triphenylene-10-ones","Acta Crystallographica Section C","2004","60","3","o208","o210","10.1107/S0108270104001659","","","0.71073","MoKα","","0.1009","0.0461","","","0.0995","0.1266","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013778","13.0534","0.0016","14.9664","0.0018","21.356","0.003","90","","90","","90","","4172.2","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(8bS,13aS,14S,14aR)-8b,9,11,12,13,13a,14,14a-octahydro-14-hydroxy-2,3,6,7- tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinolin-11-one","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C192 H216 N8 O48 -","8","2","FR1452","Nygren, Cara; Chen, Tianniu; Zhong, Sanbao; Kaczmarek, Conrad; Turner, John F. C.; Baker, David C.","A pair of epimeric 13-hydroxy-2,3,6,7-tetramethoxy-8b,11,12,12a,13,13a-hexahydro-9<i>H</i>-9a-azacyclopenta[<i>b</i>]triphenylene-10-ones","Acta Crystallographica Section C","2004","60","3","o208","o210","10.1107/S0108270104001659","","","0.71073","MoKα","","0.0437","0.0326","","","0.0827","0.0861","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013779","10.2","0.003","17.594","0.005","22.76","0.007","90","","100.2","0.005","90","","4020","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-dichloro-cis-Bis(3,6-dimethylcarbazolyl)-cis- bis(tetrahydrofuran)zirconium(IV) benzene sesquisolvate","","- C45 H49 Cl2 N2 O2 Zr -","- C45 H49 Cl2 N2 O2 Zr -","- C180 H196 Cl8 N8 O8 Zr4 -","4","1","FR1455","Nygren, Cara L.; Bragg, M. E. T.; Turner, John F. C.","<i>trans</i>-Dichloro-<i>cis</i>-bis(3,6-dimethylcarbazolyl)-<i>cis</i>-bis(tetrahydrofuran)zirconium(IV) benzene sesquisolvate","Acta Crystallographica Section C","2004","60","1","m4","m6","10.1107/S0108270103026258","","","0.71073","MoKα","","0.0484","0.0316","","","0.0753","0.085","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013780","6.7298","0.0008","7.2091","0.0011","8.4367","0.0012","85.928","0.013","83.075","0.017","82.132","0.016","401.88","0.1","243","2","243","2","","","","","","","","3","P -1","-P 1","2","","4-Oxocyclohexanecarboxylic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C14 H24 O8 -","2","1","FR1456","Barcon, Alan; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","4-Oxocyclohexanecarboxylic acid: hydrogen bonding in the monohydrate of a δ-keto acid","Acta Crystallographica Section C","2004","60","2","o140","o142","10.1107/S0108270103029329","","","0.71073","MoKα","","0.083","0.045","","","0.09","0.105","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013781","5.1549","0.0003","6.9872","0.0004","13.9097","0.0008","77.747","0.003","84.255","0.003","70.508","0.003","461.3","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","trans-Bis(3-isopropyl-7-oxocyclohepta-1,3,5-trienolato)copper(II), Triclinic Form Ia","","- C20 H22 Cu O4 -","- C20 H22 Cu O4 -","- C20 H22 Cu O4 -","1","0.5","FR1457","Arvanitis, Georgia M.; Berardini, Michael E.; Ho, Douglas M.; .","Two new polymorphs of <i>trans</i>-bis(hinokitiolato)copper(II)","Acta Crystallographica Section C","2004","60","3","m126","m128","10.1107/S0108270104001957","","","0.71073","MoKα","","0.0803","0.0482","","0.15","","0.1074","","","1.069","","","1.076","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013782","8.741","0.0002","6.747","0.0001","15.3448","0.0004","90","","100.8","0.001","90","","888.94","0.03","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trans-Bis(3-Isopropyl-7-oxocyclohepta-1,3,5-trienolato)copper(II), Monoclinic Form Ib","","- C20 H22 Cu O4 -","- C20 H22 Cu O4 -","- C40 H44 Cu2 O8 -","2","0.5","FR1457","Arvanitis, Georgia M.; Berardini, Michael E.; Ho, Douglas M.","Two new polymorphs of <i>trans</i>-bis(hinokitiolato)copper(II)","Acta Crystallographica Section C","2004","60","3","m126","m128","10.1107/S0108270104001957","","","0.71073","MoKα","","0.0659","0.0477","","0.1273","","0.1116","","","1.12","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013783","11.455","0.002","9.1008","0.0017","14.779","0.003","90","","106.993","0.003","90","","1473.4","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","CBS Oxazaborolidine dimer","3,3,3',3'-tetraphenyl-1,1'-spirobi(3a,4,5,6-tetrahydro-3H- pyrrolo[1,2-c][1,3,2]oxazaborole)‒7-borane","","- C34 H38 B2 N2 O2 -","- C34 H38 B2 N2 O2 -","- C68 H76 B4 N4 O4 -","2","1","FR1462","Ortiz-Marciales, Margarita; De Jesús, Melvin; Gonzáles, Eduvigis; Raptis, Raphael G.; Baran, Peter","A 1,3,2-oxazaborolidine dimer derived from (<i>S</i>)-α,α-diphenylprolinol","Acta Crystallographica Section C","2004","60","3","o173","o175","10.1107/S0108270104000666","","","0.71073","MoKα","","0.0621","0.0436","","","0.1073","0.1256","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013784","12.9887","0.0017","6.075","0.002","18.7903","0.0016","90","","104.701","0.008","90","","1434.1","0.5","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","sp-9-(o-Methylphenyl)fluorene","","- C20 H16 -","- C20 H16 -","- C80 H64 -","4","1","FR1463","Meyers, Cal Y.; Robinson, Paul D.; McLean, Aaron W.","<i>sp</i>-9-(<i>o</i>-Methylphenyl)fluorene","Acta Crystallographica Section C","2004","60","2","o156","o157","10.1107/S010827010400040X","","","0.71069","MoKα","","0.094","0.05","","","0.144","0.166","","","","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013785","6.639","0.003","13.53","0.006","11.91","0.005","90","","107.25","0.03","90","","1021.7","0.8","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H31 N O2 -","- C24 H31 N O2 -","- C48 H62 N2 O4 -","2","1","GA1026","Yamamoto, Chishou; Matsumoto, Taisuke; Watanabe, Masataka; Hitzer, Eckhard M. S.; Mataka, Shuntaro; Thiemann, Thies","6-[3-Hydroxy-17-oxoestra-1,3,5(10)-trien-7β-yl]hexanenitrile","Acta Crystallographica Section C","2004","60","2","o130","o132","10.1107/S010827010302866X","","","0.7107","MoKα","","","0.035","","","","0.082","","","","","","1.039","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013786","15.889","0.005","22.07","0.007","25.941","0.008","90","","90","","90","","9097","5","123","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C78.44 H138 Co N13 O28.04 P2 -","- C78.437 H134.874 Co N13 O28.042 P2 -","- C313.748 H539.496 Co4 N52 O112.168 P8 -","4","1","GA1038","Susan M. Chemaly; Helder M. Marques; Christopher B. Perry","Diisopropylphosphitocobalamin‒acetone‒water (1/3.48/7.56)","Acta Crystallographica Section C","2004","60","2","m88","m90","10.1107/S0108270104000344","","","0.71073","MoKα","","","0.041","","","","0.0949","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2013787","6.52","0.0013","10.172","0.002","18.871","0.004","90","","90","","90","","1251.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1,10-phenantholine-κ^2^N,N')(μ~3~-thiosulfato-κ^3^S:S:O)cadmium(II)","","- C12 H8 Cd N2 O3 S2 -","- C12 H8 Cd N2 O3 S2 -","- C48 H32 Cd4 N8 O12 S8 -","4","1","GA1040","Harvey, Miguel; Baggio, Sergio; Pardo, Helena; Baggio, Ricardo","A novel five-coordinate cadmium phenanthroline thiosulfate","Acta Crystallographica Section C","2004","60","2","m79","m81","10.1107/S0108270104000186","","","0.71073","MoKα","","0.0384","0.0305","","","0.0865","0.1402","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013788","7.2713","0.001","8.586","0.0009","9.8424","0.0014","77.123","0.011","77.785","0.012","79.825","0.01","580.03","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-bromo-N-(2-hydroxy-1,1-dimethylethyl)benzamide","","- C11 H14 Br N O2 -","- C11 H14 Br N O2 -","- C22 H28 Br2 N2 O4 -","2","1","GD1280","Wu, Yao-Wen; Wang, Ru-Ji; Jiang, Yu-Yang; Fu, Hua; Zhao, Yu-Fen","Displaced π‒π stacking and hydrogen bonds in 3-bromo-<i>N</i>-(2-hydroxy-1,1-dimethylethyl)benzamide","Acta Crystallographica Section C","2004","60","3","o178","o179","10.1107/S0108270103025824","","","0.71073","MoKα","","0.0589","0.037","","","0.0869","0.0966","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013789","8.9414","0.0006","8.9955","0.0006","11.7433","0.0006","105.001","0.004","93.265","0.006","98.902","0.006","896.69","0.1","294","1","294","1","","","","","","","","4","P -1","-P 1","2","","5-Methoxy-3-pentyl-indole-1-carboxylic acid tert-butyl ester","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C38 H54 N2 O6 -","2","1","GD1287","Gallagher, John F.; Coleman, Claire M.; O'Shea, Donal F.","<i>tert</i>-Butyl 5-methoxy-3-pentylindole-1-carboxylate","Acta Crystallographica Section C","2004","60","2","o149","o151","10.1107/S0108270103028154","","","0.71073","MolybdenumKα","","0.0665","0.0475","","","0.1195","0.133","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013790","9.0573","0.0007","17.1999","0.0013","37.754","0.009","90","","90","","90","","5881.5","1.5","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","(pyrimidine-2-thionato-κS)(pyrimidinium-2-thionato-κS)mercury(II) tetrabromomercury(II)","","- C16 H14 Br4 Hg3 N8 S4 -","- C16 H14 Br4 Hg3 N8 S4 -","- C128 H112 Br32 Hg24 N64 S32 -","8","0.25","GD1289","Matković-Čalogović, Dubravka; Mrvoš-Sermek, Draginja; Popović, Zora; Soldin, Željka","A new complex of HgBr~2~ and pyrimidine-2-thione: (pyrimidine-2-thionato-κ<i>S</i>)(pyrimidinium-2-thionato-κ<i>S</i>)mercury(II) tetrabromomercury(II)","Acta Crystallographica Section C","2004","60","2","m44","m46","10.1107/S0108270103028014","","","0.71073","MoKα","","0.101","0.054","","","0.126","0.145","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013791","9.111","0.001","5.9921","0.0007","9.408","0.001","90","","106.71","0.002","90","","491.93","0.09","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C24 H20 O4 -","2","0.5","GD1290","Bruce, Michael I; Head, Nicholas J.; Skelton, Brian W.; White, Allan H.","1,4-Diethynyl-2,5-dimethoxybenzene at <i>ca</i> 150 K","Acta Crystallographica Section C","2004","60","1","o60","o61","10.1107/S0108270103027124","","","0.71073","MoKα","","0.062","0.044","","0.054","","0.05","","","1.032","","","1.106","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013792","7.0302","0.0002","9.9377","0.0002","17.8571","0.0005","90","","98.279","0.001","90","","1234.57","0.06","100","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl2 N2 O2 -","- C10 H16 Cl2 N2 O2 -","- C40 H64 Cl8 N8 O8 -","4","1","GD1295","Muir, Kenneth W.; Morris, David G.; Chii, Cindy Ong Woei","4-Chloro-<i>N</i>-(trimethylammonio)benzamide chloride monohydrate","Acta Crystallographica Section C","2004","60","2","o125","o126","10.1107/S0108270103029421","","","0.71073","MoKα","","","0.0295","","","","0.0732","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013793","16.1522","0.0001","10.4928","0.0001","18.9161","0.0003","90","","90","","90","","3205.93","0.06","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tris(arsenato)fluorohydroxotrigallium 1,3-diaminopropane monohydrate","","- C3 H15 As3 F Ga3 N2 O14 -","- C3 H12 As3 F Ga3 N2 O14 -","- C24 H96 As24 F8 Ga24 N16 O112 -","8","1","GD1296","Loiseau, Thierry; Ferey, Gerard","A novel gallium arsenate organically templated by propane-1,3-diyldiammonium with a ULM-3-type open framework: [Ga~3~(AsO~4~)~3~(OH)F](C~3~H~12~N~2~)·H~2~O","Acta Crystallographica Section C","2004","60","3","i30","i32","10.1107/S010827010400071X","","","0.71073","MoKα","","0.0454","0.0354","","","0.085","0.087","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013794","3.672","0.0007","10.417","0.002","28.749","0.006","90","","90.89","0.03","90","","1099.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","melaminium maleate monohydrate","2,4,6-triamino-1,3,5-triazin-1-ium maleate monohydrate","","- C7 H12 N6 O5 -","- C7 H12 N6 O5 -","- C28 H48 N24 O20 -","4","1","GD1299","Janczak, Jan; Perpétuo, Genivaldo Julio","Melaminium maleate monohydrate","Acta Crystallographica Section C","2004","60","3","o211","o214","10.1107/S0108270104002227","","","0.71073","MoKα","","0.0511","0.0367","","","0.043","0.0499","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013795","12.555","0.003","7.2688","0.0015","17.366","0.004","90","","107.85","0.03","90","","1508.5","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate","","- C14 H16 F3 N3 O4 -","- C14 H16 F3 N3 O4 -","- C56 H64 F12 N12 O16 -","4","1","GG1189","Daniel E. Lynch; Ian McClenaghan","Four trifluoromethylnitrobenzene analogues","Acta Crystallographica Section C","2004","60","1","o1","o5","10.1107/S0108270103025150","","","0.71073","MoKα","","0.0681","0.0483","","","0.1192","0.1345","","","","","","1.041","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013796","8.8211","0.0018","11.717","0.002","15.528","0.003","86.55","0.03","81.97","0.03","90","0.03","1586.3","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate","","- C14 H16 F3 N3 O4 -","- C14 H16 F3 N3 O4 -","- C56 H64 F12 N12 O16 -","4","2","GG1189","Daniel E. Lynch; Ian McClenaghan","Four trifluoromethylnitrobenzene analogues","Acta Crystallographica Section C","2004","60","1","o1","o5","10.1107/S0108270103025150","","","0.71073","MoKα","","0.0959","0.0657","","","0.163","0.1941","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013797","13.39","0.003","9.853","0.002","12.503","0.003","90","","102.97","0.03","90","","1607.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[4-nitro-2-(trifluoromethyl)phenyl]-4-phenylpiperazine","","- C17 H16 F3 N3 O2 -","- C17 H16 F3 N3 O2 -","- C68 H64 F12 N12 O8 -","4","1","GG1189","Daniel E. Lynch; Ian McClenaghan","Four trifluoromethylnitrobenzene analogues","Acta Crystallographica Section C","2004","60","1","o1","o5","10.1107/S0108270103025150","","","0.71073","MoKα","","0.0749","0.0458","","","0.1153","0.1307","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013798","30.6687","0.0012","9.9731","0.0003","10.4592","0.0003","90","","95.8496","0.001","90","","3182.41","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2-nitro-4-(trifluoromethyl)phenyl]-4-phenylpiperazine","","- C17 H16 F3 N3 O2 -","- C17 H16 F3 N3 O2 -","- C136 H128 F24 N24 O16 -","8","2","GG1189","Daniel E. Lynch; Ian McClenaghan","Four trifluoromethylnitrobenzene analogues","Acta Crystallographica Section C","2004","60","1","o1","o5","10.1107/S0108270103025150","","","0.71073","MoKα","","0.1312","0.053","","","0.0963","0.1193","","","","","","0.952","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013799","13.562","0.002","5.3311","0.0008","13.142","0.002","90","","117.9","0.006","90","","839.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-nitrothiazole monoethanol solvate","","- C5 H9 N3 O3 S -","- C5 H9 N3 O3 S -","- C20 H36 N12 O12 S4 -","4","1","GG1195","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Amino-5-nitrothiazole monoethanol solvate: triply-interwoven hydrogen-bonded sheets containing centrosymmetric <i>R</i>_<b>2</b>^<b>2</b>(8) and <i>R</i> _<b>10</b>^<b>10</b>(38) rings","Acta Crystallographica Section C","2004","60","1","o15","o18","10.1107/S0108270103024533","","","0.71073","MoKα","","0.1495","0.0723","","","0.1517","0.1813","","","","","","0.985","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013800","8.2556","0.0003","15.3414","0.0008","7.2521","0.0004","90","","115.496","0.003","90","","829.05","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-3-iodo-5-nitrobenzaldehyde","","- C7 H4 I N O4 -","- C7 H4 I N O4 -","- C28 H16 I4 N4 O16 -","4","1","GG1198","Garden, Simon J.; Cunha, Fernando R. da; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three-dimensional aggregation in 2-hydroxy-3-iodo-5-nitrobenzaldehyde involving C—H···O, iodo‒nitro and aromatic π‒π stacking interactions, and isolated dimers in disordered 2,4-diiodo-6-nitroanisole","Acta Crystallographica Section C","2004","60","1","o12","o14","10.1107/S0108270103025654","","","0.71073","MoKα","","0.05","0.033","","","0.069","0.074","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013801","32.999","0.002","4.2305","0.0003","14.8328","0.0011","90","","95.225","0.002","90","","2062.1","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Diiodo-6-nitroanisole","","- C7 H5 I2 N O3 -","- C7 H5 I2 N O3 -","- C56 H40 I16 N8 O24 -","8","1","GG1198","Garden, Simon J.; Cunha, Fernando R. da; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Three-dimensional aggregation in 2-hydroxy-3-iodo-5-nitrobenzaldehyde involving C—H···O, iodo‒nitro and aromatic π‒π stacking interactions, and isolated dimers in disordered 2,4-diiodo-6-nitroanisole","Acta Crystallographica Section C","2004","60","1","o12","o14","10.1107/S0108270103025654","","","0.71073","MoKα","","0.143","0.053","","","0.124","0.154","","","","","","0.889","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013802","6.665","0.0005","3.6962","0.0003","23.639","0.002","90","","95.208","0.003","90","","579.95","0.08","120","2","120","2","","","","","","","","4","P 1 n 1","P -2yac","7","","N-(3-Nitrophenyl)phthalimide","","- C14 H8 N2 O4 -","- C14 H8 N2 O4 -","- C28 H16 N4 O8 -","2","1","GG1199","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","A three-dimensional hydrogen-bonded framework in <i>N</i>-(3-nitrophenyl)phthalimide, and hydrogen-bonded chains of rings in <i>N</i>-(3,5-dinitrophenyl)phthalimide, linked into sheets by dipolar interactions","Acta Crystallographica Section C","2004","60","1","o24","o27","10.1107/S0108270103026052","","","0.71073","MoKα","","0.0878","0.0479","","","0.0986","0.1162","","","","","","0.875","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013803","5.0936","0.0007","12.6297","0.0018","10.366","0.002","90","","101.335","0.006","90","","653.84","0.18","120","2","120","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","N-(3,5-Dinitrophenyl)phthalimide","","- C14 H7 N3 O6 -","- C14 H7 N3 O6 -","- C28 H14 N6 O12 -","2","0.5","GG1199","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","A three-dimensional hydrogen-bonded framework in <i>N</i>-(3-nitrophenyl)phthalimide, and hydrogen-bonded chains of rings in <i>N</i>-(3,5-dinitrophenyl)phthalimide, linked into sheets by dipolar interactions","Acta Crystallographica Section C","2004","60","1","o24","o27","10.1107/S0108270103026052","","","0.71073","MoKα","","0.1019","0.052","","","0.1094","0.1284","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013804","3.707","0.0002","6.3963","0.0003","15.4047","0.001","90","","95.064","0.002","90","","363.84","0.04","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-Nitrobenzaldehyde hydrazone","","- C7 H7 N3 O2 -","- C7 H7 N3 O2 -","- C14 H14 N6 O4 -","2","1","GG1201","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in nitroaniline analogues: 4-nitrobenzaldehyde hydrazone forms hydrogen-bonded sheets of <i>R</i>_<b>4</b>^<b>4</b>(26) rings","Acta Crystallographica Section C","2004","60","1","o33","o34","10.1107/S010827010302657X","","","0.71073","MoKα","","0.0473","0.0402","","","0.0964","0.1018","","","","","","1.165","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013805","4.5985","0.0002","9.6973","0.0005","16.3968","0.0008","90","","94.935","0.003","90","","728.47","0.06","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E,E)-1,4-Diethyl-1,4-diphenyl-2,3-diazabutadiene","","- C18 H20 N2 -","- C18 H20 N2 -","- C36 H40 N4 -","2","0.5","GG1202","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(<i>E</i>,<i>E</i>)-1,4-Diethyl-1,4-diphenyl-2,3-diazabutadiene","Acta Crystallographica Section C","2004","60","1","o38","o40","10.1107/S0108270103026635","","","0.71073","MoKα","","0.0647","0.0443","","","0.1064","0.1157","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013806","7.2761","0.0002","14.8881","0.0005","23.0407","0.0006","90","","90","","90","","2495.94","0.13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(2-Nitrophenyl)benzamide-2-carboxylic acid","2-(2-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C112 H80 N16 O40 -","8","1","GG1204","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","π-Stacked hydrogen-bonded dimers in 2-(2-nitrophenylaminocarbonyl)benzoic acid, and hydrogen-bonded sheets in orthorhombic and monoclinic polymorphs of 2-(4-nitrophenylaminocarbonyl)benzoic acid","Acta Crystallographica Section C","2004","60","2","o120","o124","10.1107/S0108270103027914","","","0.71073","MoKα","","0.093","0.049","","","0.1","0.115","","","","","","0.982","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013807","3.9188","0.0002","12.6896","0.0006","27.7029","0.0016","90","","90","","90","","1377.61","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(4-Nitrophenyl)benzamide-2-carboxylic acid, orthorhombic polymorph","2-(4-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C56 H40 N8 O20 -","4","1","GG1204","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","π-Stacked hydrogen-bonded dimers in 2-(2-nitrophenylaminocarbonyl)benzoic acid, and hydrogen-bonded sheets in orthorhombic and monoclinic polymorphs of 2-(4-nitrophenylaminocarbonyl)benzoic acid","Acta Crystallographica Section C","2004","60","2","o120","o124","10.1107/S0108270103027914","","","0.71073","MoKα","","0.087","0.055","","","0.114","0.123","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013808","10.2098","0.001","9.3749","0.0008","27.409","0.002","90","","100.578","0.004","90","","2578.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(4-Nitrophenyl)benzamide-2-carboxylic acid, monoclinic polymorph","2-(4-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C112 H80 N16 O40 -","8","2","GG1204","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","π-Stacked hydrogen-bonded dimers in 2-(2-nitrophenylaminocarbonyl)benzoic acid, and hydrogen-bonded sheets in orthorhombic and monoclinic polymorphs of 2-(4-nitrophenylaminocarbonyl)benzoic acid","Acta Crystallographica Section C","2004","60","2","o120","o124","10.1107/S0108270103027914","","","0.71073","MoKα","","0.165","0.069","","","0.133","0.166","","","","","","0.989","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013809","9.7328","0.001","7.9105","0.0006","7.9803","0.0007","90","","96.578","0.004","90","","610.37","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F5 H2 K2 O V -","- F5 H2 K2 O V -","- F20 H8 K8 O4 V4 -","4","0.5","IZ1034","Zhaoxun Lian; Changcang Huang; Xihe Huang","Dipotassium aquapentafluorovanadate","Acta Crystallographica Section C","2004","60","1","i9","i10","10.1107/S0108270103026994","","","0.71069","MoKα","","0.0218","0.0199","","","0.0533","0.0539","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013810","6.8348","0.0002","8.8863","0.0003","9.8177","0.0003","90","","101.789","0.001","90","","583.71","0.03","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","indium holmiuium digermanate","","- Ge2 Ho In O7 -","- Ge2 Ho In O7 -","- Ge8 Ho4 In4 O28 -","4","0.5","IZ1037","Juarez-Arellano, Erick A.; Rosales, Ivonne; Oliver, Alicia; Ruvalcaba, Jose Luis; Carbonio, Raul E.; Bucio, Lauro; Orozco, Eligio","In~1.06~Ho~0.94~Ge~2~O~7~: a thortveitite-type compound","Acta Crystallographica Section C","2004","60","2","i14","i16","10.1107/S0108270103029056","","","1.5418","CuKα","","","","","","","","","","1.43","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013811","8.021","0.002","20.457","0.004","8.739","0.002","90","","107.41","0.03","90","","1368.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","cesium tetrachromate","dicesium tetrachromium(VI) oxide","","- Cr4 Cs2 O13 -","- Cr4 Cs2 O13 -","- Cr16 Cs8 O52 -","4","1","IZ1038","Kolitsch, Uwe","Cs~2~Cr~4~O~13~: a new structure type among alkali tetrachromates","Acta Crystallographica Section C","2004","60","2","i17","i19","10.1107/S0108270103029068","","","0.71073","MoKα","","0.0336","0.0243","","","0.0557","0.0588","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013812","17.5679","0.001","7.1586","0.0003","17.73","0.001","90","","105.203","0.004","90","","2151.7","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","12-Oxa-5,7-diazadibenzo[a,f]cyclonona-1,6-dien-6-one","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","2","JZ1596","Böhmer, Volker; Meshcheryakov, Denys; Thondorf, Iris; Bolte, Michael","3-Oxa-6,8-diaza-1,2:4,5-dibenzocycloocta-1,4-dien-7-one: a three-dimensional network assembled by hydrogen-bonding, π‒π and edge-to-face interactions","Acta Crystallographica Section C","2004","60","2","o136","o139","10.1107/S0108270103027586","","","0.71073","MoKα","","0.042","0.035","","","0.091","0.093","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013813","19.697","0.004","7.152","0.001","12.949","0.003","90","","100.34","0.02","90","","1794.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-[(2,4-dinitrophenyl)hydrazonomethyl]benzene-1,3-diol N,N-dimethylformamide solvate","2,4-dihydroxybenzaldehyde 2,4-dinitrophenylhydrazone N,N-dimethylformamide solvate","","- C16 H17 N5 O7 -","- C16 H17 N5 O7 -","- C64 H68 N20 O28 -","4","1","LN1175","Baughman, Russell G.; Martin, Kenneth L.; Singh, Rajendra K.; Stoffer, James O.","2,4-Dinitrophenylhydrazones of 2,4-dihydroxybenzaldehyde, 2,4-dihydroxyacetophenone and 2,4-dihydroxybenzophenone","Acta Crystallographica Section C","2004","60","2","o103","o106","10.1107/S0108270103027197","","","0.71073","MoKα","","0.109","0.051","","","0.113","0.137","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013814","7.928","0.001","9.146","0.001","14.362","0.002","104.45","0.01","91.04","0.01","108.8","0.01","949.1","0.2","293","2","288","2","","","","","","","","4","P -1","-P 1","2","4-{1-[(2,4-dinitrophenyl)-hydrazono]ethyl}benzene-1,3-diol N,N-dimethylformamide solvate","2,4-dihydroxyacetophenone 2,4-dinitrophenylhydrazone N,N-dimethylformamide solvate","","- C17 H19 N5 O7 -","- C17 H19 N5 O7 -","- C34 H38 N10 O14 -","2","1","LN1175","Baughman, Russell G.; Martin, Kenneth L.; Singh, Rajendra K.; Stoffer, James O.","2,4-Dinitrophenylhydrazones of 2,4-dihydroxybenzaldehyde, 2,4-dihydroxyacetophenone and 2,4-dihydroxybenzophenone","Acta Crystallographica Section C","2004","60","2","o103","o106","10.1107/S0108270103027197","","","0.71073","MoKα","","0.079","0.047","","","0.123","0.142","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013815","7.8155","0.0009","11.549","0.002","13.904","0.002","100.38","0.01","95.8","0.01","102.74","0.01","1191","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4-{[(2,4-dinitrophenyl)hydrazono]phenylmethyl}benzene-1,3-diol N,N-dimethylacetamide solvate","2,4-dihydroxybenzophenone 2,4-dinitrophenylhydrazone N,N-dimethylformamide solvate","","- C23 H23 N5 O7 -","- C23 H23 N5 O7 -","- C46 H46 N10 O14 -","2","1","LN1175","Baughman, Russell G.; Martin, Kenneth L.; Singh, Rajendra K.; Stoffer, James O.","2,4-Dinitrophenylhydrazones of 2,4-dihydroxybenzaldehyde, 2,4-dihydroxyacetophenone and 2,4-dihydroxybenzophenone","Acta Crystallographica Section C","2004","60","2","o103","o106","10.1107/S0108270103027197","","","0.71073","MoKα","","0.097","0.057","","","0.146","0.171","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013816","12.016","0.003","10.347","0.002","19.233","0.004","90","","90","","90","","2391.2","0.9","293","2","293","2","","","","","","","","2","P c a 21","P 2c -2ac","29","COT-dimer","6a,6b,12a,12b-tetrahydrocycloocta[3,4]cyclobuta[a]cyclooctene","","- C16 H16 -","- C16 H16 -","- C128 H128 -","8","2","LN1180","Mehta, Goverdhan; Vanessa, Gagliardini; Islam, Kabirul; Kailasam Venkatesan","6a,6b,12a,12b-Tetrahydrocycloocta[3,4]cyclobuta[1,2][8]annulene","Acta Crystallographica Section C","2004","60","1","o90","o93","10.1107/S0108270103024181","","","0.71073","MoKα","","0.0507","0.0419","","","0.1089","0.1149","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013817","12.6847","0.0017","9.2934","0.0017","16.266","0.003","90","","90","","90","","1917.5","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17-Oxo-5α-androst-6-en-3β-yl acetate","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","NA1627","Paixão, J. I. F.; Salvador, J. A. R.; Paixão, J. A.; Beja, A. M.; Ramos Silva, M.; Gonsalves, A. M. d'A. R.","17-Oxo-5α-androst-6-en-3β-yl acetate","Acta Crystallographica Section C","2004","60","1","o72","o74","10.1107/S0108270103026933","","","0.71073","MoKα","","0.129","0.044","","","0.103","0.13","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013818","9.6876","0.0009","10.2079","0.001","11.3561","0.0011","86.808","0.001","72.141","0.001","64.928","0.001","964.58","0.16","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","poly[[aqua(1,10-phenanthroline)cobalt(II)]-μ~4~-dihydrogen benzene-1,2,4,5- tetracarboxylato]","","- C22 H14 Co N2 O9 -","- C22 H14 Co N2 O9 -","- C44 H28 Co2 N4 O18 -","2","1","NA1629","Mao-Lin Hu; Hong-Ping Xiao; Ji-Xin Yuan","Polymeric aqua(μ~4~-dihydrogen benzene-1,2,4,5-tetracarboxylato)(1,10-phenanthroline)cobalt(II)","Acta Crystallographica Section C","2004","60","3","m112","m113","10.1107/S0108270103029445","","","0.71073","MoKα","","0.0259","0.0252","","","0.0651","0.0656","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013819","12.7655","0.0005","12.7655","0.0005","24.1122","0.0011","90","","90","","90","","3929.3","0.3","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","5,5'-Di-tert-butyl-2,2'-dihydroxy-3,3'-methylenedibenzaldehyde","","- C23 H28 O4 -","- C23 H28 O4 -","- C184 H224 O32 -","8","0.5","NA1630","Masci, Bernardo; Levi Mortera, Stefano; Seralessandri, Luca; Thuéry, Pierre","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methylenedibenzaldehyde and 6,6'-di-<i>tert</i>-butyl-8,8'-methylenebis(spiro[4<i>H</i>-1,3-benzodioxin-2,1'-cyclohexane])","Acta Crystallographica Section C","2004","60","2","o107","o109","10.1107/S0108270103027859","","","0.71073","MoKα","","0.0648","0.045","","","0.114","0.1297","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013820","12.7635","0.001","10.0278","0.0009","23.2629","0.0013","90","","91.496","0.005","90","","2976.4","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6,6'-di-tert-butyl-8,8'-methylenebis(spiro[4H-1,3-benzodioxine-2,1'- cyclohexane])","","- C35 H48 O4 -","- C35 H48 O4 -","- C140 H192 O16 -","4","1","NA1630","Masci, Bernardo; Levi Mortera, Stefano; Seralessandri, Luca; Thuéry, Pierre","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methylenedibenzaldehyde and 6,6'-di-<i>tert</i>-butyl-8,8'-methylenebis(spiro[4<i>H</i>-1,3-benzodioxin-2,1'-cyclohexane])","Acta Crystallographica Section C","2004","60","2","o107","o109","10.1107/S0108270103027859","","","0.71073","MoKα","","0.1089","0.0556","","","0.1214","0.1469","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013821","9.582","0.003","10.157","0.003","11.384","0.004","90.305","0.006","105.358","0.006","112.405","0.005","980.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 1-(4-fluorophenyl)-3-(2-furyl)-5-oxopyrrolidine -2,2-dicarboxylate","","- C20 H20 F N O6 -","- C20 H20 F N O6 -","- C40 H40 F2 N2 O12 -","2","1","NA1631","Ray, Jayanta Kumar; Haldar, Pranab; Canle L., M.; Santaballa, J. A.; Mahía, Jose","Diethyl 1-(4-fluorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate and diethyl 1-(3,4-dichlorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate","Acta Crystallographica Section C","2004","60","3","o163","o165","10.1107/S0108270103029111","","","0.71073","MoKα","","0.07","0.0461","","","0.1159","0.1297","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013822","9.5478","0.0009","10.2319","0.0009","12.5088","0.0011","72.749","0.002","86.206","0.002","64.31","0.002","1048.91","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 1-(3,4-dchlorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate","","- C20 H19 Cl2 N O6 -","- C20 H19 Cl2 N O6 -","- C40 H38 Cl4 N2 O12 -","2","1","NA1631","Ray, Jayanta Kumar; Haldar, Pranab; Canle L., M.; Santaballa, J. A.; Mahía, Jose","Diethyl 1-(4-fluorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate and diethyl 1-(3,4-dichlorophenyl)-3-(2-furyl)-5-oxopyrrolidine-2,2-dicarboxylate","Acta Crystallographica Section C","2004","60","3","o163","o165","10.1107/S0108270103029111","","","0.71073","MoKα","","0.0709","0.0482","","","0.1252","0.1402","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013823","23.721","0.005","7.18","0.001","13.961","0.003","90","","100.45","0.03","90","","2338.4","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[silver(I)-μ-ethane-1,2-diamine-κ^2^N:N'] 3-fluorobenzoate monohydrate]","","- C9 H14 Ag F N2 O3 -","- C9 H14 Ag F N2 O3 -","- C72 H112 Ag8 F8 N16 O24 -","8","1","NA1632","You, Zhong-Lu; Yang, Li; Zou, Ying; Zeng, Wei-Jie; Liu, Wei-Sheng; Zhu, Hai-Liang","<i>catena</i>-Poly[[silver(I)-μ-ethane-1,2-diamine-κ^2^<i>N</i>:<i>N</i>'] 3-fluorobenzoate monohydrate]","Acta Crystallographica Section C","2004","60","3","m117","m118","10.1107/S0108270103028683","","","0.71073","MoKα","","0.0507","0.04","","","0.0864","0.0912","","","","","","1.072","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013824","11.102","0.002","15.478","0.003","14.493","0.003","90","","104.75","0.01","90","","2408.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[[μ-4,4'-bipyridyl-bis[aqua(p-aminobenzoato)copper(II)]]- di-μ-4,4'-bipyridyl] dinitrate tetrahydrate]","","- C44 H48 Cu2 N10 O16 -","- C44 H48 Cu2 N10 O16 -","- C88 H96 Cu4 N20 O32 -","2","0.5","NA1636","Hu, Da-Hua; Huang, Wei; Cui, Kai; Li, Yi-Zhi; Gou, Shao-Hua; Yan, Ji-Lin","A polymeric ladder complex: <i>catena</i>-poly[[[μ-4,4'-bipyridyl-bis[aqua(<i>p</i>-aminobenzoato)copper(II)]]-di-μ-4,4'-bipyridyl] dinitrate tetrahydrate]","Acta Crystallographica Section C","2004","60","2","m91","m93","10.1107/S0108270104000411","","","0.71073","MoKα","","0.0439","0.038","","","0.1097","0.1124","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013825","10.006","0.004","13.347","0.002","15.531","0.002","103.71","0.01","102.78","0.02","108.37","0.02","1811.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(N,N-di-n-butyldithiocarbamato-κ^2^S,S')(1,10-phenanthroline- κ^2^N,N')zinc(II) ethanol hemisolvate","","- C31 H47 N4 O0.5 S4 Zn -","- C31 H47 N4 O0.5 S4 Zn -","- C62 H94 N8 O S8 Zn2 -","2","1","NA1638","Reck, Günter; Becker, Roland","Phenanthroline complexes of zinc and calcium carbamates","Acta Crystallographica Section C","2004","60","3","m134","m136","10.1107/S0108270104001441","","","0.71073","MoKα","","0.0465","0.0434","","","0.1464","0.1492","","","","","","1.21","","","","has coordinates,has disorder,has Fobs","203559","2020-10-21","18:00:00",""
"2013826","11.875","0.004","13.129","0.002","17.547","0.004","72.29","0.01","80.91","0.02","84.2","0.02","2569.2","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(N,N-di-n-hexyldithiocarbamato-κ^2^S,S')bis(1,10-phenanthroline- κ^2^N,N')calcium(II)","","- C50 H68 Ca N6 S4 -","- C50 H68 Ca N6 S4 -","- C100 H136 Ca2 N12 S8 -","2","1","NA1638","Reck, Günter; Becker, Roland","Phenanthroline complexes of zinc and calcium carbamates","Acta Crystallographica Section C","2004","60","3","m134","m136","10.1107/S0108270104001441","","","0.71073","MoKα","","0.0461","0.0423","","","0.1489","0.1546","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013827","15.4031","0.0008","5.8621","0.0004","15.4902","0.0009","90","","113.237","0.003","90","","1285.22","0.14","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(1-Methyl-1H-indol-3-yl)-2-(thiophen-3-yl)acrylonitrile","","- C16 H12 N2 S -","- C16 H12 N2 S -","- C64 H48 N8 S4 -","4","1","NA1640","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-3-(1-Methyl-1<i>H</i>-indol-3-yl)-2-(thiophen-3-yl)acrylonitrile","Acta Crystallographica Section C","2004","60","3","o217","o218","10.1107/S0108270104002550","","","0.71073","MoKα","","0.0859","0.0517","","","0.11","0.1255","","","","","","1.565","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013828","34.136","0.007","6.4633","0.0013","26.356","0.005","90","","123.85","0.03","90","","4829","2","190","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H20 F20 Fe N4 -","- C56 H20 F20 Fe N4 -","- C224 H80 F80 Fe4 N16 -","4","0.5","OB1150","Oh, Yunghee; Shin, Byoung-Chul; Swenson, Dale; Goff, Harold M.; Kang, Sung Kwon","[5,10,15,20-Tetrakis(pentafluorophenyl)porphyrinato]iron(II) benzene disolvate","Acta Crystallographica Section C","2004","60","2","m57","m59","10.1107/S0108270103028051","","","0.71073","MoKα","","","0.0369","","","","0.1087","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013829","7.4169","0.0004","21.5662","0.001","8.7502","0.0004","90","","90.257","0.001","90","","1399.62","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-bis(2-aminomethylpyridine-κ^2^N,N')bis(saccharinato-κN)zinc(II)","","- C26 H24 N6 O6 S2 Zn -","- C26 H24 N6 O6 S2 Zn -","- C52 H48 N12 O12 S4 Zn2 -","2","0.5","OB1151","Yilmaz, Veysel T.; Caglar, Sema; Harrison, William T. A.","Bis(saccharinato-κ<i>N</i>)zinc(II) complexes with <i>N</i>,<i>N</i>'-bidentate 2-aminomethylpyridine and 2-aminoethylpyridine","Acta Crystallographica Section C","2004","60","1","m35","m38","10.1107/S0108270103027653","","","0.71073","MoKα","","0.0652","0.0408","","","0.1015","0.1105","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013830","9.1654","0.0004","13.9784","0.0006","17.4679","0.0007","90","","100.522","0.001","90","","2200.31","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2-aminoethylpyridine-κ^2^N,N')bis(saccharinato-κN)zinc(II)","","- C21 H18 N4 O6 S2 Zn -","- C21 H18 N4 O6 S2 Zn -","- C84 H72 N16 O24 S8 Zn4 -","4","1","OB1151","Yilmaz, Veysel T.; Caglar, Sema; Harrison, William T. A.","Bis(saccharinato-κ<i>N</i>)zinc(II) complexes with <i>N</i>,<i>N</i>'-bidentate 2-aminomethylpyridine and 2-aminoethylpyridine","Acta Crystallographica Section C","2004","60","1","m35","m38","10.1107/S0108270103027653","","","0.71073","MoKα","","0.0592","0.033","","","0.0728","0.0805","","","","","","0.942","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013831","13.1406","0.0011","14.0664","0.0012","9.7823","0.001","90","","97.415","0.019","90","","1793","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(1H-benzimidazole-κN^3^)cadmium(II)]-μ-aqua-μ- succinato-κ^2^O^1^:O^4^]","","- C18 H18 Cd N4 O5 -","- C18 H18 Cd N4 O5 -","- C72 H72 Cd4 N16 O20 -","4","0.5","OB1153","Liu, Bing-Xin; Xu, Duan-Jun","Poly[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cadmium(II)]-μ-aqua-μ-succinato-κ^2^<i>O</i>^1^:<i>O</i>^4^]","Acta Crystallographica Section C","2004","60","2","m39","m41","10.1107/S0108270103027847","","","0.71073","MoKα","","0.025","0.023","","","0.071","0.072","","","","","","1.343","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013832","7.4315","0.0018","8.474","0.002","10.991","0.003","67.889","0.004","85.22","0.004","81.617","0.004","634.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","2-chlorophenyl m-nitrobenzenesulfonate","2-chlorophenyl 3-nitrobenzenesulfonate","","- C12 H8 Cl N O5 S -","- C12 H8 Cl N O5 S -","- C24 H16 Cl2 N2 O10 S2 -","2","1","OB1154","Nagarajan Vembu; Maruthai Nallu; Semih Durmus; Mathew Pazner; Jered Garrison; Wiley J. Youngs","2-Chlorophenyl 3-nitrobenzenesulfonate and 2,4-dichlorophenyl 3-nitrobenzenesulfonate: supramolecular aggregation through C‒H···O, π‒π and van der Waals interactions","Acta Crystallographica Section C","2004","60","1","o65","o68","10.1107/S0108270103027380","","","0.71073","MoKα","","0.0336","0.0312","","","0.0817","0.0833","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013833","6.878","0.005","13.33","0.01","14.99","0.011","90","","90","","90","","1374.3","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2,4-Dichlorophenyl 3-nitrobenzenesulfonate","","- C12 H7 Cl2 N O5 S -","- C12 H7 Cl2 N O5 S -","- C48 H28 Cl8 N4 O20 S4 -","4","1","OB1154","Nagarajan Vembu; Maruthai Nallu; Semih Durmus; Mathew Pazner; Jered Garrison; Wiley J. Youngs","2-Chlorophenyl 3-nitrobenzenesulfonate and 2,4-dichlorophenyl 3-nitrobenzenesulfonate: supramolecular aggregation through C‒H···O, π‒π and van der Waals interactions","Acta Crystallographica Section C","2004","60","1","o65","o68","10.1107/S0108270103027380","","","0.71073","MoKα","","0.0335","0.0321","","","0.0804","0.0813","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013834","22.2498","0.0017","13.6859","0.001","22.1298","0.0016","90","","90.459","0.001","90","","6738.5","0.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[tris(2,2'-bipyridine-κ^2^N,N')ruthenium(II)] hexacyanoferrate(III) chloride octahydrate","","- C66 H64 Cl Fe N18 O8 Ru2 -","- C66 H48 Cl Fe N18 O8 Ru2 -","- C264 H192 Cl4 Fe4 N72 O32 Ru8 -","4","0.5","OB1155","Sakai, Ken; Uchida, Yuichi; Kajiwara, Takashi; Ito, Tasuku","Bis[tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)] hexacyanoferrate(III) chloride octahydrate","Acta Crystallographica Section C","2004","60","2","m65","m68","10.1107/S0108270103028841","","","0.71073","MoKα","","0.1008","0.0578","","","0.1244","0.133","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013835","9.087","0.001","9.44","0.001","9.982","0.0009","90.458","0.009","113.095","0.009","111.077","0.009","723.78","0.15","296.2","","","","","","","","","","","5","P -1","-P 1","2","","(2,2'-Bipyridine-κ^2^N,N')(1,1-cyclobutanedicarboxylato- κ^2^O,O')palladium(II)","","- C16 H14 N2 O4 Pd -","- C16 H14 N2 O4 Pd -","- C32 H28 N4 O8 Pd2 -","2","1","OB1156","Muranishi, Yasunori; Okabe, Nobuo","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II), (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate and (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate","Acta Crystallographica Section C","2004","60","2","m47","m50","10.1107/S0108270103028130","","","0.7107","MoKα","","","0.0215","","","","0.0572","","","","","","1.3","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013836","17.219","0.002","18.875","0.002","5.268","0.002","90","","90","","90","","1712.1","0.7","296.2","","","","","","","","","","","5","P n n 2","P 2 -2n","34","","(1,1-cyclobutanedicarboxylato-κ^2^O,O') (1,10-phenanthroline-κ^2^N,N')palladium(II) monohydrate","","- C18 H16 N2 O5 Pd -","- C18 H16 N2 O5 Pd -","- C72 H64 N8 O20 Pd4 -","4","1","OB1156","Muranishi, Yasunori; Okabe, Nobuo","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II), (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate and (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate","Acta Crystallographica Section C","2004","60","2","m47","m50","10.1107/S0108270103028130","","","0.7107","MoKα","","","0.028","","","","0.079","","","","","","1.204","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013837","11.079","0.002","11.826","0.003","13.678","0.004","85.5","0.02","84.55","0.02","85.87","0.02","1774.7","0.8","296.2","","","","","","","","","","","5","P -1","-P 1","2","","(1,1-cyclobutanedicarboxylato-κ^2^O,O') (1,10-phenanthroline-κ^2^N,N')palladium(II) dihydrate","","- C18 H18 N2 O6 Pd -","- C18 H18 N2 O6 Pd -","- C72 H72 N8 O24 Pd4 -","4","2","OB1156","Muranishi, Yasunori; Okabe, Nobuo","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II), (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate and (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate","Acta Crystallographica Section C","2004","60","2","m47","m50","10.1107/S0108270103028130","","","0.7107","MoKα","","","0.04","","","","0.118","","","","","","0.99","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013838","8.6251","0.001","12.7842","0.0015","14.7039","0.0017","94.557","0.002","94.063","0.002","92.637","0.002","1610","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,2'-bipyridine-κ^2^N,N')(1,10-phenanthroline-κ^2^N,N')ruthenium(II) tetracyanoplatinate(II)","","- C36 H24 N10 Pt Ru -","- C36 H22 N10 Pt Ru -","- C72 H44 N20 Pt2 Ru2 -","2","1","OB1157","Sakai, Ken; Miyabe, Yoshinobu","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) tetracyanoplatinate(II)","Acta Crystallographica Section C","2004","60","2","m69","m72","10.1107/S0108270103029500","","","0.71073","MoKα","","0.0361","0.0302","","","0.066","0.0677","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013839","8.2743","0.0003","11.3537","0.0003","23.4382","0.0008","90","","96.579","0.001","90","","2187.38","0.12","296.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Au F4 P S -","- C24 H16 Au F4 P S -","- C96 H64 Au4 F16 P4 S4 -","4","1","OB1163","Watase, Seiji; Kitamura, Takayuki; Kanehisa, Nobuko; Nakamoto, Masami; Kai, Yasushi; Shozo Yanagida","A quadrupole‒quadrupole stacking synthon in (2,3,5,6-tetrafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphine-κ<i>P</i>)gold(I)","Acta Crystallographica Section C","2004","60","3","m104","m106","10.1107/S010827010400157X","","","0.7107","MoKα","","","0.0366","","","","0.1032","","","","","","1.581","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013840","9.5953","0.0006","9.5953","0.0006","7.0418","0.0004","90","","90","","120","","561.48","0.06","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","lead bismuth calcium sodium phosphate","Pb~4.6~Bi~0.4~Ca~2.6~Na~2.4~(PO~4~)~6~.","","- Bi0.4 Ca2.59 Na2.39 O24 P6 Pb4.61 -","- Bi0.402 Ca2.592 Na2.388 O24 P6 Pb4.614 -","- Bi0.402 Ca2.592 Na2.388 O24 P6 Pb4.614 -","1","0.0833333","SK1662","Besma Hamdi; Jean-Michel Savariault; Hafed El Feki; Abdelhamid Ben Salah","Lead bismuth calcium sodium phosphate: Pb~4.6~Bi~0.4~Ca~2.6~Na~2.4~(PO~4~)~6~","Acta Crystallographica Section C","2004","60","1","i1","i2","10.1107/S0108270103024971","","","0.71073","MoKα","","0.0893","0.0411","","","0.0656","0.0747","","","","","","1.036","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013841","5.791","0.001","7.411","0.001","10.736","0.002","90.05","0.03","105.02","0.03","112.61","0.03","408.2","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","ammonium cadmium selenite selenate","tetraammonium cadmium dihydrogenselenite(IV) diselenate(VI)","","- Cd H18 N4 O14 Se4 -","- Cd H18 N4 O14 Se4 -","- Cd H18 N4 O14 Se4 -","1","0.5","SK1663","Kolitsch, Uwe","(NH~4~)~4~Cd(HSe^IV^O~3~)~2~(Se^VI^O~4~)~2~: a new structure type with kröhnkite-like chains","Acta Crystallographica Section C","2004","60","1","i3","i6","10.1107/S0108270103026040","","","0.71073","MoKα","","0.049","0.038","","","0.096","0.101","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013842","6.639","0.001","7.313","0.001","10.078","0.002","90","","92.46","0.03","90","","488.85","0.14","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Rubidium chromium(III) oxalate dihydrate","Diaquabis(μ-oxalato)chromium(III)rubidium(I)","","- C4 H4 Cr O10 Rb -","- C4 H4 Cr O10 Rb -","- C8 H8 Cr2 O20 Rb2 -","2","0.25","SK1664","Kolitsch, Uwe","RbCr^III^(C~2~O~4~)~2~·2H~2~O, Cs~2~Mg(C~2~O~4~)~2~·4H~2~O and Rb~2~Cu^II^(C~2~O~4~)~2~·2H~2~O: three new complex oxalate hydrates","Acta Crystallographica Section C","2004","60","3","m129","m133","10.1107/S0108270104001945","","","0.71073","MoKα","","0.0239","0.0217","","","0.0583","0.0602","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013843","17.045","0.003","7.368","0.001","13.588","0.003","90","","128.61","0.03","90","","1333.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Dicaesium magnesium oxalate tetrahydrate","Tetraaquabis(μ-oxalato)magnesium(II)dicaesium(I)","","- C4 H8 Cs2 Mg O12 -","- C4 H8 Cs2 Mg O12 -","- C16 H32 Cs8 Mg4 O48 -","4","0.5","SK1664","Kolitsch, Uwe","RbCr^III^(C~2~O~4~)~2~·2H~2~O, Cs~2~Mg(C~2~O~4~)~2~·4H~2~O and Rb~2~Cu^II^(C~2~O~4~)~2~·2H~2~O: three new complex oxalate hydrates","Acta Crystallographica Section C","2004","60","3","m129","m133","10.1107/S0108270104001945","","","0.71073","MoKα","","0.021","0.0182","","","0.0385","0.0395","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013844","7","0.001","8.949","0.002","8.982","0.002","108.05","0.03","97.69","0.03","97.99","0.03","520.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Dirubidium copper(II) oxalate dihydrate","Diaquabis(μ-oxalato)copper(II)dirubidium(I)","","- C4 H4 Cu O10 Rb2 -","- C4 H4 Cu O10 Rb2 -","- C8 H8 Cu2 O20 Rb4 -","2","1","SK1664","Kolitsch, Uwe","RbCr^III^(C~2~O~4~)~2~·2H~2~O, Cs~2~Mg(C~2~O~4~)~2~·4H~2~O and Rb~2~Cu^II^(C~2~O~4~)~2~·2H~2~O: three new complex oxalate hydrates","Acta Crystallographica Section C","2004","60","3","m129","m133","10.1107/S0108270104001945","","","0.71073","MoKα","","0.0303","0.0241","","","0.0565","0.059","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013845","16.002","0.0012","9.4123","0.0008","10.5752","0.0007","90","","121.664","0.005","90","","1355.69","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine","","- C14 H10 Cl2 N4 -","- C14 H10 Cl2 N4 -","- C56 H40 Cl8 N16 -","4","0.5","SK1670","Zachara, Janusz; Madura, Izabela; Włostowski, Marek","Hydrogen-bonding patterns in two structural isomers of 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section C","2004","60","1","o57","o59","10.1107/S0108270103026945","","","0.71073","MoKα","","0.0449","0.0357","","","0.0923","0.0985","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013846","12.3382","0.0014","8.6777","0.0009","25.968","0.004","90","","90","","90","","2780.3","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-bis(2-chlorophenyl)-4-amino-1H-1,2,4-triazole","","- C14 H10 Cl2 N4 -","- C14 H10 Cl2 N4 -","- C112 H80 Cl16 N32 -","8","1","SK1670","Zachara, Janusz; Madura, Izabela; Włostowski, Marek","Hydrogen-bonding patterns in two structural isomers of 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section C","2004","60","1","o57","o59","10.1107/S0108270103026945","","","0.71073","MoKα","","0.0644","0.0364","","","0.0872","0.0975","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013847","7.365","0.003","15.5549","0.0012","21.199","0.004","90","","90","","90","","2428.6","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3β,7α,12α-triformyloxy-24-nor-5β-chol-22-ene","24-nor-5β-chol-22-ene-3β,7α,12α-triyl triformate","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","SK1674","Andrade, L.C.R.; Paixão, J.A.; de Almeida, M.J.M.; Tavares da Silva, E.J.; Sá e Melo, M.L.; Fernandes Roleira, F.M.","3β,7α,12α-Triformyloxy-24-nor-5β-chol-22-ene","Acta Crystallographica Section C","2004","60","1","o82","o83","10.1107/S0108270103024521","","","1.5418","CuKα","","0.0471","0.0353","","","0.0936","0.1008","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013848","7.9449","0.001","10.7342","0.0011","10.8835","0.0012","89.0403","0.0012","69.574","0.0011","82.2042","0.0015","861.3","0.17","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H15 Cl Cr N5 O6 S2 -","- C10 H15 Cl Cr N5 O6 S2 -","- C20 H30 Cl2 Cr2 N10 O12 S4 -","2","1","SK1675","Bing-Xin Liu; Duan-Jun Xu","Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')chromium(III) chloride monohydrate","Acta Crystallographica Section C","2004","60","3","m137","m139","10.1107/S0108270104002288","","","0.71073","MoKα","","0.032","0.029","","","0.082","0.084","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013849","7.0415","0.0002","21.4704","0.0007","8.057","0.0003","90","","108.48","0.0016","90","","1155.27","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^2^-(Benzoyloxy)benzamidine","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","SK1677","Carvalho, Carlos E. M.; Wardell, Solange M. S. V.; Wardell, James L.; Skakle, Janet M. S.,; Low, John N.; Glidewell, Christopher","Three <i>N</i>^2^-benzoyloxybenzamidines: sheet structures built from hard and soft hydrogen bonds and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","1","o28","o32","10.1107/S0108270103025435","","","0.71073","MoKα","","0.0909","0.0493","","","0.11","0.1289","","","","","","0.964","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013850","9.3808","0.0001","24.9553","0.0004","10.3277","0.0001","90","","90","","90","","2417.72","0.05","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N^2^-(2-Hydroxybenzoyloxy)benzamidine","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","1","SK1677","Carvalho, Carlos E. M.; Wardell, Solange M. S. V.; Wardell, James L.; Skakle, Janet M. S.,; Low, John N.; Glidewell, Christopher","Three <i>N</i>^2^-benzoyloxybenzamidines: sheet structures built from hard and soft hydrogen bonds and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","1","o28","o32","10.1107/S0108270103025435","","","0.71073","MoKα","","0.0484","0.0391","","","0.0984","0.1048","","","","","","0.971","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013851","4.6463","0.0003","22.128","0.0013","11.9551","0.0009","90","","99.202","0.003","90","","1213.33","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^2^-Benzoyloxy-2-hydroxybenzamidine","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","SK1677","Carvalho, Carlos E. M.; Wardell, Solange M. S. V.; Wardell, James L.; Skakle, Janet M. S.,; Low, John N.; Glidewell, Christopher","Three <i>N</i>^2^-benzoyloxybenzamidines: sheet structures built from hard and soft hydrogen bonds and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","1","o28","o32","10.1107/S0108270103025435","","","0.71073","MoKα","","0.1248","0.0556","","","0.1089","0.1331","","","","","","0.981","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013852","34.3749","0.0008","34.3749","0.0008","5.7585","0.0001","90","","90","","120","","5892.8","0.2","160","2","160","2","","","","","","","","4","R 3 :H","R 3","146","","16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3β-ol","","- C30 H39 Cl O4 -","- C30 H39 Cl O4 -","- C270 H351 Cl9 O36 -","9","1","SK1678","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Guleria, Sheetal; Jindal, D. P.; Linden, Anthony","Two androst-5-ene derivatives: 16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3β-ol and 16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","Acta Crystallographica Section C","2004","60","1","o75","o78","10.1107/S0108270103025605","","","0.71073","MoKα","","0.066","0.049","","","0.117","0.127","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013853","6.4219","0.0001","32.4115","0.0005","8.0981","0.0001","90","","99.651","0.0007","90","","1661.71","0.04","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]- 3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","","- C37 H56 N2 O4 -","- C37 H56 N2 O4 -","- C74 H112 N4 O8 -","2","1","SK1678","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Guleria, Sheetal; Jindal, D. P.; Linden, Anthony","Two androst-5-ene derivatives: 16-[4-(3-chloropropoxy)-3-methoxybenzylidene]-17-oxoandrost-5-en-3β-ol and 16-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)benzylidene]-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","Acta Crystallographica Section C","2004","60","1","o75","o78","10.1107/S0108270103025605","","","0.71073","MoKα","","0.046","0.037","","","0.086","0.092","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013854","30.0604","0.0009","13.5628","0.0004","7.0263","0.0002","90","","101.39","0.002","90","","2808.23","0.14","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Iodobenzaldehyde 2,4-dinitrophenylhydrazone","","- C13 H9 I N4 O4 -","- C13 H9 I N4 O4 -","- C104 H72 I8 N32 O32 -","8","1","SK1680","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded chains of rings in 3-iodobenzaldehyde 2,4-dinitrophenylhydrazone and 4-iodobenzaldehyde 2,4-dinitrophenylhydrazone, and a three-dimensional framework in 4-iodobenzaldehyde 4-nitrophenylhydrazone generated by the combination of N—H···O and C—H···O hydrogen bonds with iodo‒nitro interactions","Acta Crystallographica Section C","2004","60","1","o19","o23","10.1107/S0108270103025745","","","0.71073","MoKα","","0.0454","0.0299","","","0.0642","0.0696","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013855","32.359","0.002","4.6293","0.0003","18.4169","0.0015","90","","97.631","0.003","90","","2734.4","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Iodobenzaldehyde 2,4-dinitrophenylhydrazone","","- C13 H9 I N4 O4 -","- C13 H9 I N4 O4 -","- C104 H72 I8 N32 O32 -","8","1","SK1680","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded chains of rings in 3-iodobenzaldehyde 2,4-dinitrophenylhydrazone and 4-iodobenzaldehyde 2,4-dinitrophenylhydrazone, and a three-dimensional framework in 4-iodobenzaldehyde 4-nitrophenylhydrazone generated by the combination of N—H···O and C—H···O hydrogen bonds with iodo‒nitro interactions","Acta Crystallographica Section C","2004","60","1","o19","o23","10.1107/S0108270103025745","","","0.71073","MoKα","","0.133","0.0464","","","0.0689","0.0865","","","","","","0.935","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013856","4.9348","0.0004","27.825","0.002","10.3893","0.0009","90","","101.076","0.002","90","","1399.99","0.19","291","2","291","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-Iodobenzaldehyde 4-nitrophenylhydrazone","","- C13 H10 I N3 O2 -","- C13 H10 I N3 O2 -","- C52 H40 I4 N12 O8 -","4","1","SK1680","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded chains of rings in 3-iodobenzaldehyde 2,4-dinitrophenylhydrazone and 4-iodobenzaldehyde 2,4-dinitrophenylhydrazone, and a three-dimensional framework in 4-iodobenzaldehyde 4-nitrophenylhydrazone generated by the combination of N—H···O and C—H···O hydrogen bonds with iodo‒nitro interactions","Acta Crystallographica Section C","2004","60","1","o19","o23","10.1107/S0108270103025745","","","0.71073","MoKα","","0.1345","0.0441","","","0.0832","0.1061","","","","","","0.878","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013857","10.328","0.0009","12.0802","0.0011","8.4369","0.0007","90","","100.673","0.008","90","","1034.41","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-chloroanthracene","","- C14 H9 Cl -","- C14 H9 Cl -","- C56 H36 Cl4 -","4","1","SK1681","Turowska-Tyrk, Ilona; Grześniak, Karolina","Monitoring structural transformations in crystals. 7. 1-Chloroanthracene and its photodimer","Acta Crystallographica Section C","2004","60","2","o146","o148","10.1107/S0108270103026775","","","0.71073","MoKα","","0.065","0.057","","","0.151","0.161","","","","","","1.069","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013858","20.232","0.002","11.0746","0.0013","9.0872","0.0011","90","","101.475","0.01","90","","1995.4","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1-chloroanthracene photodimer","trans-bi(1-chloro-9,10-dihydro-9,10-anthracenediyl)","","- C28 H18 Cl2 -","- C28 H18 Cl2 -","- C112 H72 Cl8 -","4","0.5","SK1681","Turowska-Tyrk, Ilona; Grześniak, Karolina","Monitoring structural transformations in crystals. 7. 1-Chloroanthracene and its photodimer","Acta Crystallographica Section C","2004","60","2","o146","o148","10.1107/S0108270103026775","","","0.71073","MoKα","","0.061","0.045","","","0.109","0.119","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013859","8.2495","0.0003","3.8591","0.0001","19.2181","0.0006","90","","93.168","0.001","90","","610.89","0.03","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium carbamoyldicyanomethanide","","- C4 H2 K N3 O -","- C4 H2 K N3 O -","- C16 H8 K4 N12 O4 -","4","1","SK1682","Schlueter, John A.; Geiser, Urs","Potassium carbamoyldicyanomethanide","Acta Crystallographica Section C","2004","60","1","m10","m12","10.1107/S0108270103026568","","","0.71073","MoKα","","0.0313","0.0267","","","0.0699","0.0722","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013860","8.076","0.001","8.084","0.001","8.808","0.001","105.34","0.02","114.53","0.02","102.51","0.02","468.28","0.18","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-1-(3-pyridyl)ethanone oxime-κ^2^N:N']bis[nitratosilver(I)]","","- C14 H16 Ag2 N6 O8 -","- C14 H16 Ag2 N6 O8 -","- C14 H16 Ag2 N6 O8 -","1","0.5","SK1683","Ingrid Socorro; Antonia Neels; Helen Stoeckli-Evans","Ag^I^ and Cu^I^ binuclear macrocyclic complexes with 1-(3-pyridyl)ethanone oxime","Acta Crystallographica Section C","2004","60","1","m13","m15","10.1107/S0108270103026830","","","0.71073","MoKα","","0.0212","0.0204","","","0.0521","0.0526","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013861","7.512","0.001","8.015","0.001","8.886","0.001","111.88","0.02","101.38","0.02","106.57","0.02","447.28","0.17","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[bis[μ-1-(3-pyridyl)ethanone oxime-κ^2^N:N']dicopper(I)]-di-μ-iodo]","","- C14 H16 Cu2 I2 N4 O2 -","- C14 H16 Cu2 I2 N4 O2 -","- C14 H16 Cu2 I2 N4 O2 -","1","0.5","SK1683","Ingrid Socorro; Antonia Neels; Helen Stoeckli-Evans","Ag^I^ and Cu^I^ binuclear macrocyclic complexes with 1-(3-pyridyl)ethanone oxime","Acta Crystallographica Section C","2004","60","1","m13","m15","10.1107/S0108270103026830","","","0.71073","MoKα","","0.0209","0.0195","","","0.0493","0.0499","","","","","","1.07","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2013862","11.2316","0.0004","17.7275","0.0007","7.1078","0.0002","90","","94.63","0.003","90","","1410.6","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Cyano-4-nitroaniline","","- C7 H5 N3 O2 -","- C7 H5 N3 O2 -","- C56 H40 N24 O16 -","8","2","SK1684","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in C-substituted nitroanilines: π-stacked sheets of <i>R</i>f̱{_4^4}(20) and <i>R</i>f̱{_4^4}(28) rings in 2-cyano-4-nitroaniline","Acta Crystallographica Section C","2004","60","1","o35","o37","10.1107/S0108270103027057","","","0.71073","MoKα","","0.083","0.044","","","0.109","0.126","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013863","7.2655","0.001","9.5032","0.0013","10.074","0.0015","86.665","0.012","75.553","0.013","83.068","0.01","668.36","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Br2 N2 O2 S -","- C10 H16 Br2 N2 O2 S -","- C20 H32 Br4 N4 O4 S2 -","2","1","SK1685","Blake, Alexander J.; Lippolis, Vito; Schröder, Martin","Intramolecular cyclization of 4,7-bis(2-bromoacetyl)-1-thia-4,7-diazacyclononane","Acta Crystallographica Section C","2004","60","1","o100","o102","10.1107/S010827010302732X","","","0.71073","MoKα","","0.0508","0.046","","","0.119","0.126","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013864","6.1522","0.0002","7.855","0.0003","7.9939","0.0003","83.684","0.003","89.32","0.002","88.43","0.003","383.81","0.02","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-nitrophenyl sulfoxide","","- C7 H7 N O3 S -","- C7 H7 N O3 S -","- C14 H14 N2 O6 S2 -","2","1","SK1686","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Methyl 4-nitrophenyl sulfoxide: π-stacked chains of hydrogen-bonded <i>R</i>f̱{_2^2}(10) dimers","Acta Crystallographica Section C","2004","60","1","o87","o89","10.1107/S0108270103027616","","","0.71073","MoKα","","0.034","0.03","","","0.077","0.079","","","","","","1.111","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013865","15.8657","0.0005","7.2366","0.0001","16.4224","0.0005","90","","110.304","0.001","90","","1768.36","0.08","120","2","120","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","2-Methanesulfonyl-4-nitroaniline","","- C7 H8 N2 O4 S -","- C7 H8 N2 O4 S -","- C56 H64 N16 O32 S8 -","8","1","SK1687","Howie, R. Alan; Low, John N.; Wardell, James L.; Glidewell, Christopher","Hydrogen bonding in C-substituted nitroanilines: a chain of <i>R</i>f̱{_3^3}(12) rings in 2-methanesulfonyl-4-nitroaniline","Acta Crystallographica Section C","2004","60","1","o84","o86","10.1107/S0108270103027641","","","0.71073","MoKα","","0.04","0.034","","","0.083","0.086","","","","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013866","6.1318","0.0002","17.3938","0.0005","22.321","0.0007","90","","90","","90","","2380.65","0.13","160","2","160","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16-(4-isopropylbenzylidene)androst-4-ene-3,17-dione","","- C29 H36 O2 -","- C29 H36 O2 -","- C116 H144 O8 -","4","1","SK1688","Thamotharan, S.; Parthasarathi, V.; Dubey, S.; Jindal, D.P.; Linden, Anthony","16-(4-Isopropylbenzylidene)androst-4-ene-3,17-dione","Acta Crystallographica Section C","2004","60","2","o110","o112","10.1107/S0108270103028038","","","0.71073","MoKα","","0.0581","0.0446","","","0.1068","0.1156","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013867","14.178","0.0009","14.4118","0.0006","15.5442","0.0011","90","","101.799","0.008","90","","3109","0.3","193","1","193","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetra-μ-benzoato-κ^2^O,O'-bis{1-[(3,4-dimethoxyphenyl)methyl]-6,7- dimethoxyisoquinoline-κN)zinc(II)}","","- C68 H62 N2 O16 Zn2 -","- C68 H62 N2 O16 Zn2 -","- C136 H124 N4 O32 Zn4 -","2","0.5","SK1689","Zeleňák, Vladimír; Sabo, Michal; Massa, Werner; Černák, Juraj","Tetra-μ-benzoato-κ^8^<i>O</i>:<i>O</i>'-bis({1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline-κ<i>N</i>}zinc(II)): the first crystal structure with papaverine as a ligand","Acta Crystallographica Section C","2004","60","2","m85","m87","10.1107/S010827010302883X","","","0.71073","MoKα","","0.068","0.0362","","","0.0799","0.0879","","","","","","0.905","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013868","6.1855","0.0001","7.5511","0.0001","22.6406","0.0004","90","","95.9439","0.001","90","","1051.8","0.03","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","16-Cyano-3α-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-norandrost- 5-en-3β-yl acetate","","- C23 H31 N3 O3 -","- C23 H31 N3 O3 -","- C46 H62 N6 O6 -","2","1","SK1690","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D. P.; Linden, Anthony","16-Cyano-13α-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-norandrost-5-en-3β-yl acetate","Acta Crystallographica Section C","2004","60","2","o161","o162","10.1107/S0108270103028452","","","0.71073","MoKα","","0.057","0.043","","","0.098","0.108","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013869","9.702","0.005","9.75","0.005","10.106","0.006","83.24","0.05","79.72","0.04","72.92","0.04","897","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Butyl-1-(5-nitrobenzo[c][1,2]thiazol-3-yl)-3-phenyltriazene","","- C17 H17 N5 O2 S -","- C17 H17 N5 O2 S -","- C34 H34 N10 O4 S2 -","2","1","SK1691","Viktor Kettmann; Jan Lokaj; Jozef Kožíšek; Josef Přikryl; Vladimír Macháček","3-Butyl-1-(5-nitrobenzo[<i>c</i>][1,2]thiazol-3-yl)-3-phenyltriazene","Acta Crystallographica Section C","2004","60","2","o143","o145","10.1107/S0108270103029433","","","0.71073","MoKα","","0.1631","0.0667","","","0.1339","0.1634","","","","","","1.031","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013870","13.5243","0.0002","7.3983","0.0001","21.8934","0.0003","90","","102.156","0.0008","90","","2141.47","0.05","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-(p-fluorophenyl)-17a-aza-2'H-pyrazolo[4',3':16,17]-D-homoandrost-4-en-3-one","","- C26 H30 F N3 O -","- C26 H30 F N3 O -","- C104 H120 F4 N12 O4 -","4","2","SK1692","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D. P.; Linden, Anthony","An aza-steroidal [17,16-<i>c</i>]pyrazole derivative: 2'-(<i>p</i>-fluorophenyl)-17a-aza-2'<i>H</i>-pyrazolo[4',3':16,17]-<i>D</i>-homoandrost-4-en-3-one","Acta Crystallographica Section C","2004","60","2","o158","o160","10.1107/S0108270103029159","","","0.71073","MoKα","","0.0562","0.0411","","","0.0908","0.0995","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013871","5.9581","0.0002","18.3064","0.0011","12.0776","0.0007","90","","93.415","0.0012","90","","1314.98","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Amino-3-tert-butyl-1-(4-nitrophenyl)-1H-pyrazole","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C52 H64 N16 O8 -","4","1","SK1695","Low, John N.; Cobo, Justo; Abonia, Rodrigo; Quiroga, Jairo; Glidewell, Christopher","5-Amino-3-<i>tert</i>-butyl-1-(4-nitrophenyl)-1<i>H</i>-pyrazole forms hydrogen-bonded sheets of alternating <i>R</i>_<b>2</b>^<b>2</b>(20) and <i>R</i>_<b>6</b>^<b>6</b>(32) rings","Acta Crystallographica Section C","2004","60","3","o194","o195","10.1107/S0108270104000678","","","0.71073","MoKα","","0.1176","0.0515","","","0.1014","0.1239","","","","","","0.963","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013872","8.2969","0.0003","13.6898","0.0003","11.0388","0.0004","90","","96.7869","0.0018","90","","1245.03","0.07","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rac-2-Phenylethylammonium carboxymethylphosphonate(1-)","","- C10 H16 N O5 P -","- C10 H16 N O5 P -","- C40 H64 N4 O20 P4 -","4","1","SK1696","Turkington, David E.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","<i>rac</i>-1-Phenylethylammonium carboxymethylphosphonate(1‒): hydrogen-bonded anion sheets with pendent cations","Acta Crystallographica Section C","2004","60","3","o183","o185","10.1107/S0108270104000939","","","0.71073","MoKα","","0.0454","0.0355","","","0.0891","0.0953","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013873","7.5524","0.0002","7.137","0.0003","28.6208","0.0011","90","","93.128","0.002","90","","1540.41","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Amino-1-methyl-5-(2-hydroxy-4,4-dimethyl-2-oxocyclohexenylmethyl)- 2-(methylsulfanyl)pyrimidin-6(1H)-one","","- C15 H21 N3 O3 S -","- C15 H21 N3 O3 S -","- C60 H84 N12 O12 S4 -","4","1","SK1697","Low, John N.; Cobo, Justo; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher","4-Amino-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohexenylmethyl)-1-methyl-2-(methylsulfanyl)pyrimidin-6(1<i>H</i>)-one: hydrogen-bonded chains are π-stacked in pairs","Acta Crystallographica Section C","2004","60","3","o191","o193","10.1107/S0108270104001118","","","0.71073","MoKα","","0.0702","0.0422","","","0.0988","0.1091","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013874","10.685","0.0006","17.6182","0.0012","12.3774","0.0008","90","","108.523","0.004","90","","2209.3","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Chlorophenyl)-2-methoxyindeno[1',2':2,3]pyrido[5,6-d]pyrimidine- 4,6(3H,5H)-dione‒dimethylformamide (1/1)","","- C24 H21 Cl N4 O4 -","- C24 H21 Cl N4 O4 -","- C96 H84 Cl4 N16 O16 -","4","1","SK1698","Low, John N.; Cobo, Justo; Cisneros, Carlos; Quiroga, Jairo; Glidewell, Christopher","Racemic 5-(4-chlorophenyl)-2-methoxyindeno[1',2':2,3]pyrido[5,6-<i>d</i>]pyrimidine-4,6(3<i>H</i>,5<i>H</i>)-dione‒dimethylformamide (1/1) and (5<i>RS</i>,5a<i>S</i><i>R</i>,10b<i>SR</i>)-10b-hydroxy-2-methoxy-5-(4-methoxyphenyl)-5a,10b-dihydroindeno[1',2':2,3]pyrido[5,6-<i>d</i>]pyrimidine-4,6(3<i>H</i>,5<i>H</i>)-dione‒dimethylformamide (1/1): chains of rings generated by N—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","3","o186","o190","10.1107/S0108270104001489","","","0.71073","MoKα","","0.1558","0.0694","","","0.1272","0.1567","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013875","10.4172","0.0002","10.854","0.0003","11.6112","0.0003","94.2692","0.0012","116.068","0.0012","94.453","0.0013","1167.08","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(5RS,5aSR,10bSR)-10b-hydroxy-2-methoxy-5-(4-methoxyphenyl)-5a-10b- dihydroindeno[1',2':2,3]pyrido[5,6-d]pyrimidine-4,6(3H,5H)-dione‒ dimethylformamide (1/1)","","- C25 H26 N4 O6 -","- C25 H26 N4 O6 -","- C50 H52 N8 O12 -","2","1","SK1698","Low, John N.; Cobo, Justo; Cisneros, Carlos; Quiroga, Jairo; Glidewell, Christopher","Racemic 5-(4-chlorophenyl)-2-methoxyindeno[1',2':2,3]pyrido[5,6-<i>d</i>]pyrimidine-4,6(3<i>H</i>,5<i>H</i>)-dione‒dimethylformamide (1/1) and (5<i>RS</i>,5a<i>S</i><i>R</i>,10b<i>SR</i>)-10b-hydroxy-2-methoxy-5-(4-methoxyphenyl)-5a,10b-dihydroindeno[1',2':2,3]pyrido[5,6-<i>d</i>]pyrimidine-4,6(3<i>H</i>,5<i>H</i>)-dione‒dimethylformamide (1/1): chains of rings generated by N—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","3","o186","o190","10.1107/S0108270104001489","","","0.71073","MoKα","","0.0844","0.055","","","0.1288","0.148","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013876","18.1781","0.0004","18.1781","0.0004","18.1781","0.0004","90","","90","","90","","6006.8","0.2","100","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Tetrakis(tetramethylammonium)dodeca-μ-chloro-hexachloro-octahedro- hexatantalate chloride","","- C16 H48 Cl19 N4 Ta6 -","- C16 H48.001 Cl19 N4 Ta6 -","- C64 H192.004 Cl76 N16 Ta24 -","4","0.0208333","SQ1032","Vojnović, Marija; Jozić, Dražan; Bašic, Ivan; Rončević, Sanda; Planinić, Pavica","Tetrakis(tetramethylammonium) dodeca-μ-chloro-hexachloro-<i>octahedro</i>-hexatantalate chloride","Acta Crystallographica Section C","2004","60","1","m33","m34","10.1107/S0108270103025071","","","0.71073","MoKα","","0.0374","0.0272","","0.0622","","0.068","","","1.137","","","1.148","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013877","10.4244","0.0004","11.4988","0.0005","15.1602","0.0005","90","","90","","90","","1817.22","0.12","206","1","206","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2α, 4α-dibenzyl-3α-tropanol","2α,4α-dibenzyl-8-methyl-8-azabicyclo[3.2.1]octane-3α-ol","","- C22 H27 N O -","- C22 H27 N O -","- C88 H108 N4 O4 -","4","1","SQ1138","Zheng, Guangrong; Parkin, Sean; Dwoskin, Linda P.; Crooks, Peter A.","Two isomers of 2,4-dibenzyl-8-azabicyclo[3.2.1]octan-3-ol","Acta Crystallographica Section C","2004","60","1","o9","o11","10.1107/S0108270103026520","","","0.71073","MoKα","","0.0605","0.043","","","0.0893","0.0957","","","","","","1.441","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013878","17.858","0.0008","10.548","0.0009","9.2364","0.0008","90","","90","","90","","1739.8","0.2","173","1","173","1","","","","","","","","4","C m c 21","C 2c -2","36","2α,4α-dibenzyl-3β-tropanol","2α,4α-dibenzyl-8-methyl-8-azabicyclo[3.2.1]octane-3β-ol","","- C22 H27 N O -","- C22 H27 N O -","- C88 H108 N4 O4 -","4","0.5","SQ1138","Zheng, Guangrong; Parkin, Sean; Dwoskin, Linda P.; Crooks, Peter A.","Two isomers of 2,4-dibenzyl-8-azabicyclo[3.2.1]octan-3-ol","Acta Crystallographica Section C","2004","60","1","o9","o11","10.1107/S0108270103026520","","","0.71073","MoKα","","0.0726","0.0497","","","0.0785","0.085","","","","","","1.485","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013879","13.946","0.004","9.805","0.002","17.236","0.004","90","","112.523","0.003","90","","2177.1","0.9","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Benzylbis(dimethylamino)methylsilyl-κ^2^C,N](N,N,N',N'- tetramethylethylenediamine-κ^2^N,N)lithium(I)","","- C18 H37 Li N4 Si -","- C18 H37 Li N4 Si -","- C72 H148 Li4 N16 Si4 -","4","1","SQ1140","Shi, He-Ping; Liu, Dian-Sheng; Huang, Shu-Ping","[Benzylbis(dimethylamino)methylsilyl-κ^2^<i>C</i>,<i>N</i>](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>)lithium(I)","Acta Crystallographica Section C","2004","60","3","m107","m109","10.1107/S0108270104000836","","","0.71073","MoKα","","0.0853","0.06","","","0.1228","0.1336","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013880","14.984","0.005","27.435","0.009","13.574","0.004","90","","113.22","0.005","90","","5128","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tetrakis(tetrahydrofuran-κO)lithium mer-tris(carbazolyl-κN)-trans-dichloro- (tetrahydrofuran-κO)zirconate","","- C56 H64 Cl2 Li N3 O5 Zr -","- C56 H64 Cl2 Li N3 O5 Zr -","- C224 H256 Cl8 Li4 N12 O20 Zr4 -","4","0.5","SQ1141","Nygren, Cara L.; Bragg, M. E. T.; Turner, John F. C.","Tetrakis(tetrahydrofuran-κ<i>O</i>)lithium <i>mer</i>-tris(carbazolyl-κ<i>N</i>)-<i>trans</i>-dichloro(tetrahydrofuran-κ<i>O</i>)zirconate","Acta Crystallographica Section C","2004","60","2","m94","m96","10.1107/S0108270104000605","","","0.71073","MoKα","","0.0464","0.0323","","","0.0792","0.0884","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013881","13.3857","0.0019","19.467","0.003","20.823","0.003","90","","90","","90","","5426","1.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chloro{2,2'-[(1S,2S)-1,2-diphenyl-1,2- ethanediylbis(nitrilomethylidyne]diphenolato-κ^4^O,N,N',O'}(ethanol- κO)manganese(III)","","- C30 H28 Cl Mn N2 O3 -","- C30 H28 Cl Mn N2 O3 -","- C240 H224 Cl8 Mn8 N16 O24 -","8","2","SQ1142","Korendovych, Ivan V.; Rybak-Akimova, Elena V.","Chloro{2,2'-[(1<i>S</i>,2<i>S</i>)-1,2-diphenyl-1,2-ethanediylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(ethanol-κ<i>O</i>)manganese(III)","Acta Crystallographica Section C","2004","60","2","m82","m84","10.1107/S0108270104000204","","","0.71073","MoKα","","0.0371","0.0299","","","0.0721","0.0762","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013882","7.9948","0.0001","21.6336","0.0002","17.2957","0.0001","90","","93.3241","0.0003","90","","2986.37","0.05","100","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Cl8 Hg4 N8 O8 S4 -","- C40 H64 Cl8 Hg4 N8 O8 S4 -","- C80 H128 Cl16 Hg8 N16 O16 S8 -","2","0.5","SQ1143","Muir, Kenneth W.; Morris, David G.; Chii, Cindy Ong Woei","Tetrameric dichloro(trimethylammonio-<i>p</i>-toluenesulfonamidate)mercury(II)","Acta Crystallographica Section C","2004","60","2","m60","m62","10.1107/S0108270103028464","","","0.71073","MoKα","","","0.026","","","","0.068","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013883","7.2794","0.0007","12.5009","0.0012","14.4436","0.0014","90","","104.021","0.002","90","","1275.2","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[bis[(2,2-bipyridine-κ^2^N,N')cobalt(II)]-μ-1,2,4,5- benzenetetracarboxylato-κ^4^O^1^:O^2^:O^3^:O^4^]","","- C15 H9 Cu N2 O4 -","- C30 H18 Cu2 N4 O8 -","- C60 H36 Cu4 N8 O16 -","2","0.5","SQ1144","Xiao, Hong-Ping; Li, Xin-Hua; Yuan, Ji-Xin; Hu, Mao-Lin","<i>catena</i>-Poly[bis[(2,2-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~4~-1,2,4,5-benzenetetracarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^4^]","Acta Crystallographica Section C","2004","60","2","m63","m64","10.1107/S0108270103028907","","","0.71073","MoKα","","0.0376","0.0358","","","0.0858","0.0869","","","","","","1.158","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013884","7.3531","0.0002","10.8223","0.0002","10.9197","0.0002","90","","94.469","0.002","90","","866.32","0.03","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 N2 O16 P4 Zn -","- C6 H24 N2 O16 P4 Zn -","- C12 H48 N4 O32 P8 Zn2 -","2","0.5","SQ1145","Fernández, Daniel; Polla, Griselda; Vega, Daniel; Ellena, Javier A.","The Zn^2+^ salt of pamidronate: a role for water in the metal‒cation binding properties of bisphosphonates","Acta Crystallographica Section C","2004","60","2","m73","m75","10.1107/S0108270104000216","","","1.5418","CuKα","","","0.0368","","","","0.1001","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013885","37.91","0.07","7.694","0.007","8.705","0.009","90.03","0.01","90.086","0.007","90.146","0.002","2539","6","20","2","20","2","","","","","","","","6","P 1","P 1","1","barium nitroprusside trihydrate","barium pentacyanonitrosylferrate trihydrate","","- C5 H6 Ba Fe N6 O4 -","- C5 H6 Ba Fe N6 O4 -","- C40 H48 Ba8 Fe8 N48 O32 -","8","8","SQ1146","Chevrier, G.; Kiat, J. M.; Güida, J. A.; Navaza, A.","A new crystal phase of barium nitroprusside trihydrate studied by neutron diffraction at 20K","Acta Crystallographica Section C","2004","60","3","i27","i29","10.1107/S0108270104000599","","neutron","1.548","neutron","","0.0797","0.0681","","0.0732","","0.0722","","","3.236","","","3.441","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013886","9.9331","0.0017","18.258","0.003","15.958","0.003","90","","104.168","0.003","90","","2806.1","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","triethylammonium tetraphenylborate dichloromethane solvate","","","- C31 H38 B Cl2 N -","- C31 H38 B Cl2 N -","- C124 H152 B4 Cl8 N4 -","4","1","SQ1147","Janzen, Daron E.; Mann, Kent R.","Triethylammonium tetraphenylborate dichloromethane solvate","Acta Crystallographica Section C","2004","60","3","o198","o199","10.1107/S0108270104000356","","","0.71069","MoKα","","0.0932","0.0688","","","0.1294","0.1396","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","192307","2020-10-21","18:00:00",""
"2013887","14.667","0.0003","34.0857","0.0008","6.3334","0.0001","90","","90","","90","","3166.29","0.11","293","2","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C112 H184 N8 O32 -","8","2","SX1124","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","<i>tert</i>-Butyl (6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxo-1,2,5,6-tetrahydropyridine-1-carboxylate and <i>tert</i>-butyl (4<i>R</i>,6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxopiperidine-1-carboxylate","Acta Crystallographica Section C","2004","60","3","o200","o203","10.1107/S0108270103024053","","","0.71073","MoKα","","","0.0473","","","","0.1347","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013888","5.563","0.002","9.891","0.003","14.8","0.003","90","","95.02","0.02","90","","811.2","0.4","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C28 H50 N2 O8 -","2","1","SX1124","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","<i>tert</i>-Butyl (6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxo-1,2,5,6-tetrahydropyridine-1-carboxylate and <i>tert</i>-butyl (4<i>R</i>,6<i>S</i>)-4-hydroxy-6-isobutyl-2-oxopiperidine-1-carboxylate","Acta Crystallographica Section C","2004","60","3","o200","o203","10.1107/S0108270103024053","","","1.5418","CuKα","","","0.048","","","","0.1545","","","","","","1.157","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013889","5.076","0.0002","10.076","0.0004","10.121","0.0005","95.691","0.001","102.529","0.001","103.73","0.002","484.65","0.04","293","2","","","","","","","","","","4","P 1","P 1","1","","","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C18 H30 N2 O4 -","2","2","SX1125","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","(6<i>S</i>)-6-Isobutylpiperidine-2,4-dione and (4<i>R</i>,6<i>S</i>)/(4<i>S</i>,6<i>S</i>)-4-hydroxy-6-isobutylpiperidin-2-one","Acta Crystallographica Section C","2004","60","3","o204","o207","10.1107/S0108270103024065","","","0.71073","MoKα","","","0.043","","","","0.1178","","","","","","0.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013890","12.9121","0.0006","5.3871","0.0003","14.8945","0.0007","90","","109.692","0.002","90","","975.45","0.09","100","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","2","SX1125","Didierjean, Claude; Marin, Julien; Wenger, Emmanuel; Briand, Jean-Paul; Aubry, Andre; Guichard, Gilles","(6<i>S</i>)-6-Isobutylpiperidine-2,4-dione and (4<i>R</i>,6<i>S</i>)/(4<i>S</i>,6<i>S</i>)-4-hydroxy-6-isobutylpiperidin-2-one","Acta Crystallographica Section C","2004","60","3","o204","o207","10.1107/S0108270103024065","","","0.71073","MoKα","","","0.0425","","","","0.1139","","","","","","1.012","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013891","5.8912","0.0011","10.0825","0.0012","11.0998","0.0017","90","","102.821","0.015","90","","642.87","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-nitro-1-(β-D-ribofuranosyl)-1H-indazole","","- C12 H13 N3 O6 -","- C12 H13 N3 O6 -","- C24 H26 N6 O12 -","2","1","SX1127","Seela, Frank; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans","Regioisomeric 4-nitroindazole <i>N</i>^1^- and <i>N</i>^2^-(β-<small>D</small>-ribonucleosides)","Acta Crystallographica Section C","2004","60","1","o94","o97","10.1107/S0108270103026556","","","0.71073","MoKα","","0.061","0.047","","","0.116","0.126","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013892","4.9355","0.0013","35.936","0.005","7.1833","0.0009","90","","99.311","0.018","90","","1257.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-nitro-2-(β-D-ribofuranosyl)-2H-indazole","","- C12 H13 N3 O6 -","- C12 H13 N3 O6 -","- C48 H52 N12 O24 -","4","2","SX1127","Seela, Frank; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans","Regioisomeric 4-nitroindazole <i>N</i>^1^- and <i>N</i>^2^-(β-<small>D</small>-ribonucleosides)","Acta Crystallographica Section C","2004","60","1","o94","o97","10.1107/S0108270103026556","","","0.71073","MoKα","","0.095","0.061","","","0.146","0.17","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013893","8.3022","0.0014","10.0591","0.0017","12.393","0.002","66.73","0.002","72.047","0.002","68.828","0.002","869.9","0.3","183","2","183","2","","","","","","","","6","P 1","P 1","1","","Chloro(L-glutamato-κ^2^N,O)(1,10-phenanthroline-κ^2^N,N')copper(II) monohydrate","","- C17 H18 Cl Cu N3 O5 -","- C17 H18 Cl Cu N3 O5 -","- C34 H36 Cl2 Cu2 N6 O10 -","2","2","SX1128","Lu, Li-Ping; Zhu, Miao-Li; Yang, Pin","Chloro(<small>L</small>-glutamato-κ^2^<i>N</i>,<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) monohydrate","Acta Crystallographica Section C","2004","60","1","m21","m23","10.1107/S0108270103026453","","","0.71073","MoKα","","0.048","0.046","","","0.119","0.121","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013894","9.2937","0.001","23.058","0.003","13.536","0.0016","90","","102.436","0.002","90","","2832.6","0.6","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","octa-tert-butoxy-bis[μ~3~-2,2'-(N-methylimino)diethanolato]di-μ-oxo- tetratitanium(IV)","","- C42 H94 N2 O14 Ti4 -","- C42 H94 N2 O14 Ti4 -","- C84 H188 N4 O28 Ti8 -","2","0.5","TA1427","Kemmitt, Tim; Gainsford, Graeme J.; Al-Salim, Najeh I.","An oxo-bridged centrosymmetric tetranuclear titanium compound","Acta Crystallographica Section C","2004","60","2","m42","m43","10.1107/S0108270103027902","","","0.71073","MoKα","","0.091","0.043","","","0.083","0.098","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013895","7.5859","0.0008","8.9838","0.001","10.6729","0.0011","80.441","0.002","72.913","0.002","77.096","0.002","673.75","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[bis[aqua(2,2-bipyridine-κ^2^N,N')cobalt(II)]-μ-1,2,4,5- benzenetetracarboxylato-κ^4^O^1^:O^2^:O^3^:O^4^]","","- C30 H22 Co2 N4 O10 -","- C30 H22 Co2 N4 O10 -","- C30 H22 Co2 N4 O10 -","1","0.5","TA1428","Xiao, Hong-Ping; Hu, Mao-Lin; Shi, Qian; Li, Xin-Hua","<i>catena</i>-Poly[bis[aqua(2,2-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-1,2,4,5-benzenetetracarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^4^]","Acta Crystallographica Section C","2004","60","1","m16","m17","10.1107/S0108270103027070","","","0.71073","MoKα","","0.029","0.027","","","0.071","0.071","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013896","10.758","0.006","8.951","0.005","8.425","0.005","111.24","0.04","100.94","0.04","105.74","0.04","689.3","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 Br N4 -","- C14 H13 Br N4 -","- C28 H26 Br2 N8 -","2","1","TA1429","Canty, Allan J.; Honeyman, R.Thomas; Skelton, Brian W.; White, Allan H.","1-Bromo-2,6-bis[(pyrazol-1-yl)methyl]benzene","Acta Crystallographica Section C","2004","60","1","o98","o99","10.1107/S0108270103027525","","","0.71069","MoKα","","0.077","0.04","","0.155","","0.155","","","1.098","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013897","12.9439","0.0006","14.0499","0.0006","20.7267","0.0009","100.37","0.001","99.429","0.001","95.899","0.001","3623.6","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","Bis[tetrakis(triphenylphosphine-κP)silver(I)] di-μ-trifluoroacetato-[dimethylbis(trifluoroacetato-κ^2^O:O')stannate(IV)]","","- C160 H132 Ag2 F18 O12 P8 Sn2 -","- C160 H132 Ag2 F18 O12 P8 Sn2 -","- C160 H132 Ag2 F18 O12 P8 Sn2 -","1","0.5","TA1433","Yang, Shi-Yao; Xie, Zhao-Xiong; Ng, Seik Weng","Bis[tetrakis(triphenylphosphine-κ<i>P</i>)silver(I)] di-μ-trifluoroacetato-κ^4^<i>O</i>:<i>O</i>'-bis[bis(trifluoroacetato-κ<i>O</i>)stannate(IV)]","Acta Crystallographica Section C","2004","60","3","m123","m125","10.1107/S0108270104001556","","","0.71073","MoKα","","0.064","0.048","","","0.108","0.113","","","","","","0.92","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013898","7.135","0.0002","11.8614","0.0001","17.0675","0.0003","96.48","0.001","94.971","0.001","95.229","0.001","1422.36","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Diaquatetrakis(pyridine-2,6-dicarboxylato-κ^2^O^2^,O^6^)tetrakis(μ-pyridine- 3,5-dicarboxylic acid-κ^2^N:O)tetracopper(II)","","","- C56 H36 Cu4 N8 O34 -","- C56 H36 Cu4 N8 O34 -","- C56 H36 Cu4 N8 O34 -","1","0.5","TR1072","Chaigneau, Julienne; Marrot, Jerome; Riou, Didier","Diaquatetrakis(pyridine-2,6-dicarboxylato-κ^2^<i>O</i>^2^,<i>O</i>^6^)tetrakis(μ-pyridine-3,5-dicarboxylic acid-κ^2^<i>N</i>:<i>O</i>)tetracopper(II): a copper complex with tetrameric molecular units","Acta Crystallographica Section C","2004","60","3","m101","m103","10.1107/S0108270104001027","","","0.71073","MoKα","","0.097","0.0492","","","0.1256","0.1383","","","","","","0.986","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013899","11.505","0.002","10.54","0.002","13.471","0.003","90","","112.66","0.03","90","","1507.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diethyl (Z,Z)-3,3'-(1,2-ethanediyldinitrilo)dibut-2-enoate","","- C14 H24 N2 O4 -","- C14 H24 N2 O4 -","- C56 H96 N8 O16 -","4","0.5","TY1002","Zhang, Zhenfeng; Jin, Shuo; Shang, Zhuobin; Huang, Shuping; Liu, Bo; Guo, Jianping","Diethyl (<i>Z</i>,<i>Z</i>)-3,3'-(ethane-1,2-diyldiimino)dibut-2-enoate","Acta Crystallographica Section C","2004","60","3","o176","o177","10.1107/S0108270104000241","","","0.71073","MoKα","","0.0847","0.0757","","","0.1973","0.2062","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013900","8.5969","0.0004","5.6053","0.0002","15.5397","0.0007","90","","96.172","0.002","90","","744.49","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl-p-aminobenzoate","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","TY1003","Doriguetto, Antonio C.; de Paula Silva, Carlos H. T.; Rando, Daniela G.; Ferreira, Elizabeth I.; Ellena, Javier","A new monoclinic polymorph of methyl <i>p</i>-aminobenzoate","Acta Crystallographica Section C","2004","60","1","o69","o71","10.1107/S0108270103027422","","","0.71073","MoKα","","","0.04","","","","0.104","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013901","8.1788","0.0006","6.1512","0.0004","34.09","0.003","90","","103.067","0.007","90","","1670.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[4-(4-Fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3H)-one","","- C19 H20 F N3 O2 -","- C19 H20 F N3 O2 -","- C76 H80 F4 N12 O8 -","4","1","AV1163","Yavuz Köysal; Şamil Işık; Meriç Köksal; Hakkı Erdog̃an; Nesrin Gokhan","3-[4-(4-Fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3<i>H</i>)-one and 3-[4-(2-fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3<i>H</i>)-one","Acta Crystallographica Section C","2004","60","4","o232","o234","10.1107/S0108270104003269","","","0.71073","MoKα","","0.0954","0.0796","","","0.2331","0.2504","","","","","","1.067","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013902","15.7467","0.001","9.547","0.0004","11.4779","0.0006","90","","91.422","0.005","90","","1724.98","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[4-(2-Fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3H)-one","","- C19 H20 F N3 O2 -","- C19 H20 F N3 O2 -","- C76 H80 F4 N12 O8 -","4","1","AV1163","Yavuz Köysal; Şamil Işık; Meriç Köksal; Hakkı Erdog̃an; Nesrin Gokhan","3-[4-(4-Fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3<i>H</i>)-one and 3-[4-(2-fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3<i>H</i>)-one","Acta Crystallographica Section C","2004","60","4","o232","o234","10.1107/S0108270104003269","","","0.71073","MoKα","","0.0488","0.041","","","0.1179","0.1235","","","","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013903","24.059","0.003","54.213","0.005","6.5223","0.0005","90","","90","","90","","8507.1","1.5","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","2-[1-[(3-fluoro-4-phenyl]ethyl]-6-(2-fluorobenzylidene)thiazolo[3,2-b]- 1,2,4-triazol-5(6H)-one","","- C25 H17 F2 N3 O S -","- C25 H17 F2 N3 O S -","- C400 H272 F32 N48 O16 S16 -","16","1","AV1166","Köysal, Yavuz; Işık, Şamil; Dog̃daş, Emine; Tozkoparan, Birsen; Ertan, Mevlüt","6-(2-Fluorobenzylidene)-2-[1-(2-fluoro-4-biphenyl)ethyl]thiazolo[3,2-<i>b</i>][1,2,4]triazol-5(6<i>H</i>)-one","Acta Crystallographica Section C","2004","60","5","o356","o357","10.1107/S010827010400410X","","","0.71073","MoKα","","0.1134","0.0369","","","0.0603","0.0689","","","","","","0.666","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013904","9.544","0.0019","15.711","0.003","15.888","0.003","90","","90","","90","","2382.3","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","vindoline","Methyl (3aR,4R,5S,5aR,10bR,13aR)-4-(acetyloxy)-3a-ethyl-5-hydroxy-8- methoxy-6-methyl-3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1- cd]carbazole-5-carboxylate","","- C25 H32 N2 O6 -","- C25 H32 N2 O6 -","- C100 H128 N8 O24 -","4","1","AV1168","Ruszkowska, Joanna; Chrobak, Robert; Maurin, Jan K.; Czarnocki, Zbigniew","Vindoline and 16-demethoxyvindoline: two catharanthus-derived alkaloids","Acta Crystallographica Section C","2004","60","5","o377","o380","10.1107/S0108270104004342","","","0.71073","MoKα","","0.1173","0.0408","","","0.1178","0.1453","","","","","","1.034","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013905","8.08","0.0016","11.32","0.002","24.212","0.005","90","","90","","90","","2214.6","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","16-demethoxyvindoline","Methyl (3aR,4R,5S,5aR,10bR,13aR)-4-(acetyloxy)-3a-ethyl-5-hydroxy-6-methyl- 3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C96 H120 N8 O20 -","4","1","AV1168","Ruszkowska, Joanna; Chrobak, Robert; Maurin, Jan K.; Czarnocki, Zbigniew","Vindoline and 16-demethoxyvindoline: two catharanthus-derived alkaloids","Acta Crystallographica Section C","2004","60","5","o377","o380","10.1107/S0108270104004342","","","0.71073","MoKα","","0.0921","0.0382","","","0.1109","0.1345","","","","","","1.025","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013906","7.7537","0.0013","10.436","0.003","15.937","0.003","90","","96.142","0.013","90","","1282.2","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Phenyl-5-(piperidinomethyl)-1H-tetrazole","","- C13 H17 N5 -","- C13 H17 N5 -","- C52 H68 N20 -","4","1","AV1171","Lyakhov, Alexander S.; Voitekhovich, Sergei V.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.","1-Phenyl-5-(piperidinomethyl)-1<i>H</i>-tetrazole","Acta Crystallographica Section C","2004","60","4","o293","o294","10.1107/S0108270104005554","","","0.71073","MoKα","","0.0573","0.0421","","","0.1082","0.1198","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013907","9.878","0.002","11.813","0.002","14.837","0.003","90","","104.69","0.03","90","","1674.7","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cis-Dinitrito(1,4,8,11-tetraazacyclotetradecane-κ^4^N)chromium(III) nitrite","","- C10 H24 Cr N7 O6 -","- C10 H24 Cr N7 O6 -","- C40 H96 Cr4 N28 O24 -","4","0.5","AV1172","Jong-Ha Choi; In-Gyung Oh; Woo-Taik Lim; Ki-Min Park","<i>cis</i>-Dinitrito(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)chromium(III) nitrite","Acta Crystallographica Section C","2004","60","6","m238","m240","10.1107/S0108270104007656","","","0.71069","MoKα","","0.0429","0.0376","","","0.0989","0.1029","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013908","12.3427","0.0003","10.4806","0.0003","15.7966","0.0004","90","","101.947","0.001","90","","1999.17","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua-2,3-pyrazinedicarboxylate-nitrate-(1,10-phenanthroline)europium(III) monohydrate","","- C18 H14 Eu N5 O9 -","- C18 H14 Eu N5 O9 -","- C72 H56 Eu4 N20 O36 -","4","1","AV1173","Hu, Mao-Lin; Yuan, Ji-Xin; Chen, Fan; Shi, Qian","Polymeric aqua(nitrato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2,3-pyrazinedicarboxylato-κ^2^<i>N</i>,<i>O</i>)europium(III) monohydrate","Acta Crystallographica Section C","2004","60","4","m186","m188","10.1107/S0108270104005773","","","0.71073","MoKα","","0.0501","0.0378","","","0.0903","0.0945","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013909","5.3131","0.0006","17.727","0.002","23.382","0.003","90","","90","","90","","2202.2","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","poly[[(2,2'-bipyridine-κ^2^N,N')manganese(II)]-μ~3~-N-tosyl-L-glutamato- κ^4^O,O':O'':O''']","","- C22 H21 Mn N3 O6 S -","- C22 H21 Mn N3 O6 S -","- C88 H84 Mn4 N12 O24 S4 -","4","1","AV1175","Fu-Pei Liang; Man-Sheng Chen; Rui-Xiang Hu; Zi-Lu Chen","A one-dimensional double-chain coordination polymer: [Mn(C~12~H~13~NO~6~S)(C~10~H~8~N~2~)]~<i>n~</i>","Acta Crystallographica Section C","2004","60","6","m269","m271","10.1107/S0108270104008893","","","0.71073","MoKα","","0.0288","0.025","","","0.0649","0.0671","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013910","14.254","0.003","15.173","0.003","15.852","0.003","72.882","0.003","67.976","0.002","75.191","0.003","2996.3","1","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","tetrachloro[μ-1,1,4,7,7-pentakis(1H-benzimidazol-2-ylmethyl)-1,4,7- triazaheptane]dimanganese(II) methanol pentasolvate tetrahydrate","","- C49 H71 Cl4 Mn2 N13 O9 -","- C49 H71 Cl4 Mn2 N13 O9 -","- C98 H142 Cl8 Mn4 N26 O18 -","2","1","AV1176","Yan, Xu-Xiu; Lu, Li-Ping; Zhu, Miao-Li","A novel bridged asymmetric binuclear manganese(II) complex with DTPB [DTPB is 1,1,4,7,7-pentakis(1<i>H</i>-benzimidazol-2-ylmethyl)-1,4,7-triazaheptane]","Acta Crystallographica Section C","2004","60","5","m221","m223","10.1107/S0108270104007668","","","0.71073","MoKα","","0.1134","0.075","","","0.1811","0.1986","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013911","10.2545","0.0007","10.8207","0.0008","13.7264","0.001","91.305","0.001","90.461","0.002","112.655","0.002","1404.97","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaquatris(μ~6~-benzene-1,2,4,5-tetracarboxylato)tris(μ~2~-4,4'- bipyridine)hexacopper(II)] dihydrate]","","- C60 H38 Cu6 N6 O28 -","- C60 H38 Cu6 N6 O28 -","- C60 H38 Cu6 N6 O28 -","1","0.5","AV1177","Yang, E.; Zhang, Jian; Wen, Yi-Hang; Chen, Yu-Biao; Kang, Yao; Li, Zhao-Ji; Yao, Yuan-Gen","Poly[[diaquatris(μ~6~-benzene-1,2,4,5-tetracarboxylato)tris(μ~2~-4,4'-bipyridine)hexacopper(II)] dihydrate]","Acta Crystallographica Section C","2004","60","6","m280","m282","10.1107/S0108270104008273","","","0.71073","MoKα","","","0.0544","","","0.1344","0.162","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013912","14.447","0.002","11.0153","0.0016","17.803","0.003","90","","90.602","0.003","90","","2833","0.7","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","N,N'-Bis(3-methylphenyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine","","- C38 H32 N2 -","- C38 H32 N2 -","- C152 H128 N8 -","4","2","AV1182","Zhang, Zhibin; Burkholder, Eric; Zubieta, Jon","Non-merohedrally twinned crystals of <i>N</i>,<i>N</i>'-bis(3-methylphenyl)-<i>N</i>,<i>N</i>'-diphenyl-1,1'-biphenyl-4,4'-diamine: an excellent triphenylamine-based hole transporter","Acta Crystallographica Section C","2004","60","6","o452","o454","10.1107/S0108270104010479","","","0.71073","MoKα","","0.1393","0.0629","","","0.1123","0.1303","","","","","","0.898","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013913","11.707","0.0011","17.8824","0.0016","8.8647","0.0008","90","","99.713","0.002","90","","1829.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[[aquamanganese(II)]-μ~2~-4,4'-bipyridine-μ~3~-succinato] 4,4'-bipyridine hemisolvate]","","- C19 H18 Mn N3 O5 -","- C19 H18 Mn N3 O5 -","- C76 H72 Mn4 N12 O20 -","4","1","AV1183","Ma, Chengbing; Chen, Feng; Zhang, Chunxia; Hu, Mingqiang; Chen,Changneng; Liu, Qiutian","Poly[[[aquamanganese(II)]-μ~2~-4,4'-bipyridine-μ~3~-succinato] 4,4'-bipyridine hemisolvate]","Acta Crystallographica Section C","2004","60","6","m285","m287","10.1107/S0108270104009953","","","0.71073","MoKα","","","0.0542","","","0.117","0.1383","","","","","","1.088","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013914","13.7558","0.0002","9.7484","0.0001","7.1074","0.0001","90","","90","","90","","953.08","0.02","168","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium aquapentachlorochromate(III)","","- Cl5 Cr H2 O Rb2 -","- Cl5 Cr H2 O Rb2 -","- Cl20 Cr4 H8 O4 Rb8 -","4","0.5","BC1030","Annika K. Eriksson; Barbara M. Casari; Langer, Vratislav","Dirubidium aquapentachlorochromate(III) and dicaesium aquapentachlorochromate(III)","Acta Crystallographica Section C","2004","60","4","i40","i42","10.1107/S0108270104002987","","","0.71073","MoKα","","0.055","0.0377","","","0.0971","0.1096","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013915","7.3868","0.0003","17.1107","0.0007","7.9848","0.0004","90","","90","","90","","1009.23","0.08","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","Cesium aquapentachlorochromate(III)","","- Cl5 Cr Cs2 H2 O -","- Cl5 Cr Cs2 O -","- Cl20 Cr4 Cs8 O4 -","4","0.25","BC1030","Annika K. Eriksson; Barbara M. Casari; Langer, Vratislav","Dirubidium aquapentachlorochromate(III) and dicaesium aquapentachlorochromate(III)","Acta Crystallographica Section C","2004","60","4","i40","i42","10.1107/S0108270104002987","","","0.71073","MoKα","","0.0749","0.0498","","","0.1355","0.1508","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013916","5.37119","0.00008","5.37119","","11.58104","0.00018","90","","90","","90","","334.109","0.007","1073","","1073","","","","","","","","Synthetic","3","I 41/a :2","-I 4ad","88","cerium niobate","cerium niobium tetraoxide","Fergusonite-(Ce)","- Ce Nb O4 -","- Ce Nb O4 -","- Ce4 Nb4 O16 -","4","0.25","BC1031","Skinner, Stephen J.; Brooks, Ian J. E.; Munnings, Christopher N.","Tetragonal CeNbO~4~ at 1073K in air and <i>in vacuo</i>","Acta Crystallographica Section C","2004","60","4","i37","i39","10.1107/S0108270104003300","","neutron","","neutron","","","","","","","","","","1.81","","","","","","","has coordinates","282548","2023-04-10","20:38:56",""
"2013917","5.37692","0.00008","5.37692","0.00008","11.59514","0.00018","90","","90","","90","","335.23","0.009","1073","","1073","","","","","","","","Synthetic","3","I 41/a :2","-I 4ad","88","cerium niobate","cerium niobium tetraoxide","Fergusonite-(Ce)","- Ce Nb O4 -","- Ce Nb O3.972 -","- Ce4 Nb4 O15.888 -","4","0.25","BC1031","Skinner, Stephen J.; Brooks, Ian J. E.; Munnings, Christopher N.","Tetragonal CeNbO~4~ at 1073K in air and <i>in vacuo</i>","Acta Crystallographica Section C","2004","60","4","i37","i39","10.1107/S0108270104003300","","neutron","","neutron","","","","","","","","","","1.83","","","","","","","has coordinates","282548","2023-04-10","20:38:56",""
"2013918","5.4208","0.0014","9.3881","0.0017","10.33","0.003","90","","100.06","0.02","90","","517.6","0.2","270","1","270","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","trioctahedral mica","potassium triiron(II) aluminasilaferrate(III) decaoxide dihydroxide","","- Al0.24 Fe3.76 H2 K O12 Si3 -","- Al0.244 Fe3.756 H2 K O12 Si3 -","- Al0.488 Fe7.512 H4 K2 O24 Si6 -","2","0.25","BC1034","Redhammer, Günther J.; Roth, G.","The ferri-annite KFe^2+^~3~(Al~0.26~Fe^3+^~0.76~Si~3~)O~10~(OH)~2~ at 100 and 270 K","Acta Crystallographica, Section C","2004","60","","i33","i36","10.1107/S010827010400321X","","","0.71073","MoKα","","","0.0195","","","","0.0486","","","","","","1.096","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013919","5.4106","0.0013","9.3709","0.0016","10.293","0.003","90","","100.03","0.02","90","","513.9","0.2","100","1","100","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","trioctahedral mica","potassium triiron(II) aluminasilaferrate(III) decaoxide dihydroxide","","- Al0.24 Fe3.76 H2 K O12 Si3 -","- Al0.236 Fe3.764 H2 K O12 Si3 -","- Al0.472 Fe7.528 H4 K2 O24 Si6 -","2","0.25","BC1034","Redhammer, Günther J.; Roth, G.","The ferri-annite KFe^2+^~3~(Al~0.26~Fe^3+^~0.76~Si~3~)O~10~(OH)~2~ at 100 and 270 K","Acta Crystallographica, Section C","2004","60","","i33","i36","10.1107/S010827010400321X","","","0.71073","MoKα","","","0.0191","","","","0.0523","","","","","","1.09","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013920","7.3131","0.001","7.2952","0.0008","7.1814","0.001","90","","116.205","0.01","90","","343.75","0.08","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Potassium hypophosphite","Potassium hypophosphite","","- H2 K O2 P -","- H2 K O2 P -","- H8 K4 O8 P4 -","4","0.5","BC1035","Naumova, Marina I.; Kuratieva, Natalia V.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The alkali hypophosphites KH~2~PO~2~, RbH~2~PO~2~ and CsH~2~PO~2~","Acta Crystallographica Section C","2004","60","5","i53","i55","10.1107/S0108270104002409","","","0.71073","MoKα","","0.0328","0.0309","","","0.0774","0.0788","","","","","","1.139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013921","7.9835","0.0009","6.3678","0.0007","7.5755","0.0011","90","","90","","90","","385.12","0.08","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Rubidium hypophosphite","Rubidium hypophosphite","","- H2 O2 P Rb -","- H2 O2 P Rb -","- H8 O8 P4 Rb4 -","4","0.5","BC1035","Naumova, Marina I.; Kuratieva, Natalia V.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The alkali hypophosphites KH~2~PO~2~, RbH~2~PO~2~ and CsH~2~PO~2~","Acta Crystallographica Section C","2004","60","5","i53","i55","10.1107/S0108270104002409","","","0.71073","MoKα","","0.0404","0.0232","","","0.0522","0.0567","","","","","","0.962","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013922","8.3776","0.0009","6.6271","0.0006","7.9165","0.001","90","","90","","90","","439.52","0.08","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Caesium hypophosphite","Caesium hypophosphite","","- Cs H2 O2 P -","- Cs H2 O2 P -","- Cs4 H8 O8 P4 -","4","0.5","BC1035","Naumova, Marina I.; Kuratieva, Natalia V.; Podberezskaya, Nina V.; Naumov, Dmitry Yu.","The alkali hypophosphites KH~2~PO~2~, RbH~2~PO~2~ and CsH~2~PO~2~","Acta Crystallographica Section C","2004","60","5","i53","i55","10.1107/S0108270104002409","","","0.71073","MoKα","","0.0504","0.0367","","","0.1018","0.1143","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013923","23.8384","0.0006","11.0248","0.0002","16.9332","0.0004","90","","118.005","0.001","90","","3929.18","0.16","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sodium magnesium decavanadate hydrate","dimagnesium disodium decavanadate icosahydrate","","- H40 Mg2 Na2 O48 V10 -","- H40 Mg2 Na2 O48 V10 -","- H160 Mg8 Na8 O192 V40 -","4","0.5","BC1038","Iida, Akifumi; Ozeki, Tomoji","Mg~2~Na~2~V~10~O~28~·20H~2~O and Mg~3~V~10~O~28~·28H~2~O","Acta Crystallographica Section C","2004","60","4","i43","i46","10.1107/S0108270104004676","","","0.71073","MoKα","","0.0397","0.0294","","","0.0721","0.0749","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013924","10.4834","0.0001","10.7309","0.0002","21.2293","0.0004","90.751","0.001","97.866","0.001","103.663","0.001","2296.24","0.06","93","2","93","2","","","","","","","","4","P -1","-P 1","2","magnesium decavanadate hydrate","","","- H56 Mg3 O56 V10 -","- H54.684 Mg3 O56 V10 -","- H109.368 Mg6 O112 V20 -","2","1","","Iida, Akifumi; Ozeki, Tomoji","Mg~2~Na~2~V~10~O~28~.20H~2~O and Mg~3~V~10~O~28~.28H~2~O","Acta Crystallographica, Section C","2004","60","","i43","i46","10.1107/S0108270104004676","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277836","2022-09-14","17:02:02",""
"2013925","3.853","0.0004","3.853","0.0004","3.853","0.0004","90","","90","","90","","57.2","0.01","296","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","strontium cobaltate","strontium cobalt(III, IV) oxide","","- Co O2.64 Sr -","- Co O2.64 Sr -","- Co O2.64 Sr -","1","0.0208333","BC1039","Nakatsuka, Akihiko; Yoshiasa, Akira; Nakayama, Noriaki; Mizota, Tadato; Takei, Humihiko","Oxygen-deficient strontium cobaltate, SrCoO~2.64~","Acta Crystallographica Section C","2004","60","5","i59","i60","10.1107/S0108270104006134","","","0.71069","MoKα","","0.025","0.021","","0.011","","0.011","","","","","","1.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013926","12.7854","0.0008","4.6647","0.0003","13.3343","0.0009","90","","91.738","0.001","90","","794.89","0.09","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ethylenediammonium catena-arsenite","","- C2 H10 As2 N2 O4 -","- C2 H10 As2 N2 O4 -","- C8 H40 As8 N8 O16 -","4","0.5","BC1044","Lee, Clare; Harrison, William T. A.","The <i>catena</i>-arsenite chain anion, [AsO~2~]~<i>n~</i>^<i>n^{-</i>}: (H~3~NCH~2~CH~2~NH~3~)~0.5~[AsO~2~] and NaAsO~2~ (revisited)","Acta Crystallographica Section C","2004","60","5","m215","m218","10.1107/S0108270104007450","","","0.71073","MoKα","","0.046","0.0394","","","0.1101","0.1149","","","","","","1.054","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2013927","6.7762","0.0005","5.0901","0.0004","14.3098","0.0011","90","","90","","90","","493.57","0.07","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","sodium catena-arsenite","","- As Na O2 -","- As Na O2 -","- As8 Na8 O16 -","8","1","BC1044","Lee, Clare; Harrison, William T. A.","The <i>catena</i>-arsenite chain anion, [AsO~2~]~<i>n~</i>^<i>n^{-</i>}: (H~3~NCH~2~CH~2~NH~3~)~0.5~[AsO~2~] and NaAsO~2~ (revisited)","Acta Crystallographica Section C","2004","60","5","m215","m218","10.1107/S0108270104007450","","","0.71073","MoKα","","0.0607","0.0396","","","0.1007","0.1085","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013928","7.891","0.002","8.798","0.003","18.829","0.006","90","","94.597","0.005","90","","1303","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","p-Nitrophenyl 3-nitrobenzenesulfonate","4-Nitrophenyl 3-nitrobenzenesulfonate","","- C12 H8 N2 O7 S -","- C12 H8 N2 O7 S -","- C48 H32 N8 O28 S4 -","4","1","BM1553","Vembu, Nagarajan; Nallu, Maruthai; Durmus, Semih; Panzner, Matthew; Garrison, Jered; Youngs, Wiley J.","Layer architecture in 4-nitrophenyl and 4-chlorophenyl 3-nitrobenzenesulfonate at 100K","Acta Crystallographica Section C","2004","60","4","o248","o251","10.1107/S0108270104002471","","","0.71073","MoKα","","0.0735","0.0613","","","0.1338","0.139","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013929","7.556","0.009","8.562","0.008","10.851","0.013","67.86","0.06","89.93","0.11","87.01","0.08","649.2","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","4-Chlorophenyl m-nitrobenzenesulfonate","4-Chlorophenyl 3-nitrobenzenesulfonate","","- C12 H8 Cl N O5 S -","- C12 H8 Cl N O5 S -","- C24 H16 Cl2 N2 O10 S2 -","2","1","BM1553","Vembu, Nagarajan; Nallu, Maruthai; Durmus, Semih; Panzner, Matthew; Garrison, Jered; Youngs, Wiley J.","Layer architecture in 4-nitrophenyl and 4-chlorophenyl 3-nitrobenzenesulfonate at 100K","Acta Crystallographica Section C","2004","60","4","o248","o251","10.1107/S0108270104002471","","","0.71073","MoKα","","0.0837","0.0651","","","0.1662","0.1825","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013930","10.7567","0.0019","9.8","0.009","12.926","0.004","90","","96.63","0.02","90","","1353.5","1.3","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2,6-di-O-benzyl-3,4-O-phenylphosphinediyl-β-D-galactopyranoside (P—B)borane","","- C27 H32 B O6 P -","- C27 H32 B O6 P -","- C54 H64 B2 O12 P2 -","2","1","BM1560","Johansson, Magnus J.; Bergh, Anders; Larsson, Krister","Methyl 2,6-di-<i>O</i>-benzyl-3,4-<i>O</i>-phenylphosphinediyl-β-<small>D</small>-galactopyranoside(<i>P</i>—<i>B</i>)borane with chirality on the P atom","Acta Crystallographica Section C","2004","60","5","o312","o314","10.1107/S0108270104004287","","","0.71073","MoKα","","","0.0482","","","","0.1435","","","","","","1.043","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2013931","9.4086","0.0001","22.5317","0.0004","12.7279","0.0002","90","","101.986","0.0006","90","","2639.39","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Tris-(4-{pyrazol-3-yl}-3-aza-3-butenyl)amine]iron(II) diperchlorate hydrate","","- C18 H26 Cl2 Fe N10 O9 -","- C18 H26 Cl2 Fe N10 O9 -","- C72 H104 Cl8 Fe4 N40 O36 -","4","1","BM1561","Michaele J. Hardie; Colin A. Kilner; Malcolm A. Halcrow","{Tris[4-(1<i>H</i>-pyrazol-3-yl)-3-azabut-3-enyl]amine}iron(II) diperchlorate monohydrate","Acta Crystallographica Section C","2004","60","4","m177","m179","10.1107/S010827010400407X","","","0.71073","MoKα","","0.0532","0.0372","","","0.0922","0.0993","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013932","15.433","0.004","11.437","0.003","17.048","0.005","90","","115.427","0.003","90","","2717.6","1.3","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cis-endo-threo-norbormide","5-[hydroxy(phenyl)(2-pyridyl)methyl]-8-[phenyl(2-pyridyl)methylene]- 3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione","","- C33 H25 N3 O3 -","- C33 H25 N3 O3 -","- C132 H100 N12 O12 -","4","1","BM1563","Steel, Peter J.; Brimble, Margaret A.; Hopkins, Brian; Rennison, David","Two stereoisomers of the rat toxicant norbormide","Acta Crystallographica Section C","2004","60","5","o374","o376","10.1107/S0108270104006845","","","0.71073","MoKα","","0.0841","0.0411","","","0.083","0.102","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013933","17.999","0.003","12.614","0.002","13.063","0.002","90","","110.834","0.002","90","","2771.9","0.8","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","trans-endo-threo-norbormide ethyl acetate hemi-solvate","5-[hydroxy(phenyl)(2-pyridyl)methyl]-8-[phenyl(2-pyridyl)methylene]- 3a,4,7,7a-tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione ethyl acetate hemisolvate","","- C35 H29 N3 O4 -","- C35 H29 N3 O4 -","- C140 H116 N12 O16 -","4","1","BM1563","Steel, Peter J.; Brimble, Margaret A.; Hopkins, Brian; Rennison, David","Two stereoisomers of the rat toxicant norbormide","Acta Crystallographica Section C","2004","60","5","o374","o376","10.1107/S0108270104006845","","","0.71073","MoKα","","0.1853","0.0616","","","0.1012","0.125","","","","","","0.885","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013934","8.859","0.001","12.83","0.002","12.615","0.001","90","","102.971","0.002","90","","1397.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C64 H52 N4 O20 -","4","1","BM1565","Jose G. Trujillo-Ferrara; Efrén V. García-Báez; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Norberto Farfan-García","<i>Exo</i> Diels‒Alder adducts between <i>ortho</i>- and <i>para</i>-<i>N</i>-acetoxyphenylmaleimides and furan","Acta Crystallographica Section C","2004","60","6","o427","o430","10.1107/S0108270104008224","","","0.71069","MoKα","","0.0815","0.0395","","","0.112","0.1265","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013935","9.703","0.001","15.856","0.001","18.845","0.0019","90","","101.962","0.005","90","","2836.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O5 -","- C16 H13 N O5 -","- C128 H104 N8 O40 -","8","2","BM1565","Jose G. Trujillo-Ferrara; Efrén V. García-Báez; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Norberto Farfan-García","<i>Exo</i> Diels‒Alder adducts between <i>ortho</i>- and <i>para</i>-<i>N</i>-acetoxyphenylmaleimides and furan","Acta Crystallographica Section C","2004","60","6","o427","o430","10.1107/S0108270104008224","","","0.71069","MoKα","","0.1441","0.0425","","","0.1193","0.1473","","","","","","0.928","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013936","3.762","0.0002","10.686","0.004","16.447","0.009","90","","91.424","0.016","90","","661","0.4","120","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 O3 S -","- C7 H4 O3 S -","- C28 H16 O12 S4 -","4","1","BM1566","Byres, Maureen; Cox, Philip J.","The supramolecular structure of 6-hydroxy-1,3-benzoxathiol-2-one (tioxolone)","Acta Crystallographica Section C","2004","60","6","o395","o396","10.1107/S0108270104008236","","","0.71073","MoKα","","","0.0371","","","","0.0825","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013937","9.657","0.003","15.213","0.003","14.679","0.002","90","","106.01","0.03","90","","2072.9","0.9","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ferron 4,4'-bipyridinium dihydrate","4,4'-bipyridinium 8-hydroxy-7-iodoquinoline-5-sulfonate dihydrate","","- C19 H18 I N3 O6 S -","- C19 H16 I N3 O6 S -","- C76 H64 I4 N12 O24 S4 -","4","1","DE1227","Madhukar Hemamalini; Packianathan Thomas Muthiah; Gabriele Bocelli; Andrea Cantoni","Hydrogen-bonded supramolecular motifs in 4,4'-bipyridinium 8-hydroxy-7-iodoquinoline-5-sulfonate dihydrate","Acta Crystallographica Section C","2004","60","4","o284","o286","10.1107/S0108270104001295","","","0.71073","MoKα","","0.0841","0.0565","","","0.1402","0.1523","","","","","","0.973","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013938","3.8338","0.0007","10.5755","0.0012","8.3938","0.0012","90","","96.182","0.014","90","","338.34","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[(pyridazine-κN)copper(I)]-μ~3~-thiocyanato-κ^3^N:S:S]","","- C5 H4 Cu N3 S -","- C5 H4 Cu N3 S -","- C10 H8 Cu2 N6 S2 -","2","1","DE1232","Näther, Christian; Jeß, Inke","Poly[[(pyridazine-κ<i>N</i>)copper(I)]-μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>]","Acta Crystallographica Section C","2004","60","4","m153","m155","10.1107/S0108270104003750","","","0.71073","MoKα","","0.0441","0.0278","","","0.0589","0.0616","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013939","9.4773","0.0016","10.8506","0.0019","15.437","0.003","100.075","0.002","104.7","0.002","105.896","0.002","1424.9","0.4","190","2","190","2","","","","","","","","5","P 1","P 1","1","","(1R,2R)-(-)-Bis[μ~4~-1-{[1,1-dimethyl-2-(trimethylsilyl)amidino]amino}- 2-({1,1-dimethyl-2-[1,1-dimethyl-2-(trimethylsilyl)amidino]amidino}amino) cyclohexane]tetralithium(I)","","- C42 H92 Li4 N14 Si4 -","- C42 H92 Li4 N16 Si4 -","- C42 H92 Li4 N16 Si4 -","1","1","DE1235","Hu, Jing-Hua; Tong, Hong-Bo; Li, Jian-Feng; Huang, Shu-Ping; Liu, Dian-Sheng","(1<i>R</i>,2<i>R</i>)-(‒)-Bis[μ~4~-1-{[1,1-dimethyl-2-(trimethylsilyl)amidino]amino}-2-({1,1-dimethyl-2-[1,1-dimethyl-2-(trimethylsilyl)amidino]amidino}amino)cyclohexane]tetralithium(I)","Acta Crystallographica Section C","2004","60","6","m272","m274","10.1107/S0108270104008509","","","0.71073","MoKα","","0.0743","0.0657","","","0.1465","0.1561","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013940","21.871","0.004","7.0825","0.0014","11.417","0.002","90","","96.52","0.03","90","","1757.1","0.6","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetraaquabis[5-(4-pyridyl N-oxide)tetrazolato-κN^2^]cadmium","","- C12 H16 Cd N10 O6 -","- C12 H16 Cd N10 O6 -","- C48 H64 Cd4 N40 O24 -","4","0.5","DE1236","Yu, Zhaoxiang; Wang, Xiaoping; Feng, Yaoyu","Tetraaquabis[5-(4-pyridyl <i>N</i>-oxide)tetrazolato-κ<i>N</i>^2^]cadmium: the intermediate in the synthesis of a tetrazole from a nitrile and an azide","Acta Crystallographica Section C","2004","60","4","m194","m196","10.1107/S0108270104005864","","","0.71073","MoKα","","0.0291","0.0263","","","0.0649","0.0662","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013941","7.7548","0.0012","10.5687","0.0016","12.1678","0.0019","88.238","0.003","77.76","0.002","69.813","0.002","913.7","0.2","273","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaquacobalt(II)-di-μ~4~-benzene-1,2,4-tricarboxylato-bis[1,10- phenanthrolinecobalt(II)]]","","- C42 H26 Co3 N4 O14 -","- C42 H26 Co3 N4 O14 -","- C42 H26 Co3 N4 O14 -","1","0.5","DE1237","Hu, Mao-Lin; Yuan, Ji-Xin; Xiao, Hong-Ping; Chen, Fan","Poly[diaquacobalt(II)-di-μ~4~-benzene-1,2,4-tricarboxylato-bis[1,10-phenanthrolinecobalt(II)]]","Acta Crystallographica Section C","2004","60","6","m235","m237","10.1107/S0108270104007851","","","0.71073","MoKα","","0.0705","0.0661","","","0.1444","0.1466","","","","","","1.221","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013942","10.734","0.005","14.786","0.005","8.533","0.005","90","","97.053","0.005","90","","1344","1.1","293","","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-Methoxy-5-(2-methylphenyldiazenyl)salicylaldehyde","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","DN1045","Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Kazak, Canan; Erdönmez, Ahmet","3-Methoxy-5-(4-methylphenyldiazenyl)salicylaldehyde and 3-methoxy-5-(2-methylphenyldiazenyl)salicylaldehyde","Acta Crystallographica, Section C","2004","60","","o455","o457","10.1107/S0108270104010844","","","0.71069","MoKα","","0.04","0.031","","","0.074","0.078","","","","","","0.93","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013943","6.746","0.005","12.529","0.005","15.556","0.005","90","","91.842","0.005","90","","1314.1","1.2","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-5-(4-methylphenyldiazenyl)salicylaldehyde","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","DN1045","Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Kazak, Canan; Erdönmez, Ahmet","3-Methoxy-5-(4-methylphenyldiazenyl)salicylaldehyde and 3-methoxy-5-(2-methylphenyldiazenyl)salicylaldehyde","Acta Crystallographica, Section C","2004","60","","o455","o457","10.1107/S0108270104010844","","","0.71069","MoKα","","0.082","0.045","","","0.088","0.098","","","","","","0.84","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013944","22.635","0.002","3.733","0.0003","17.126","0.002","90","","102.054","0.008","90","","1415.2","0.2","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3-Formylphenyl)boronic acid","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C56 H56 B8 O24 -","8","1","DN1046","Zarychta, Bartosz; Zaleski, Jacek; Sporzyński, Andrzej; Dąbrowski, Marek; Serwatowski, Janusz","3-Formylphenylboronic acid","Acta Crystallographica Section C","2004","60","5","o344","o345","10.1107/S0108270104006493","","","0.71073","MoKα","","0.0489","0.0363","","","0.0936","0.099","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013945","13.7622","0.0015","11.8849","0.0013","15.8788","0.0017","90","","107.914","0.002","90","","2471.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Z-2-(α,β-Dicarbomethoxyvinyl)cyclopentadien-1-ylidenetriphenylphosphorane","dimethyl (Z)-1-[2-(triphenylphosphoranylidene)cyclopentadien-1-yl]ethylenedicarboxylate","","- C29 H25 O4 P -","- C29 H25 O4 P -","- C116 H100 O16 P4 -","4","1","FA1050","Gilheany, Declan G.; Higham, Lee J.; Kelly, P. Gabriel; Mueller-Bunz, Helge","(E)- and {(Z)-2-[α,β-bis(methoxycarbonyl)vinyl]cyclopentadien-1- ylidene}triphenylphosphorane","Acta Crystallographica, Section C","2004","60","","o308","o311","10.1107/S0108270104006067","","","0.71073","MoKα","","0.0582","0.0483","","","0.1198","0.127","","","","","","1.047","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013946","14.8041","0.0009","18.0337","0.0012","18.1151","0.0012","90","","90","","90","","4836.2","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","E-2-(α,β-Dicarbomethoxyvinyl)cyclopentadien-1-ylidenetriphenylphosphorane","dimethyl (E)-1-[2-(triphenylphosphoranylidene)cyclopentadien-1-yl]ethylenedicarboxylate","","- C29 H25 O4 P -","- C29 H25 O4 P -","- C232 H200 O32 P8 -","8","1","FA1050","Gilheany, Declan G.; Higham, Lee J.; Kelly, P. Gabriel; Mueller-Bunz, Helge","(E)- and {(Z)-2-[α,β-bis(methoxycarbonyl)vinyl]cyclopentadien-1- ylidene}triphenylphosphorane","Acta Crystallographica, Section C","2004","60","","o308","o311","10.1107/S0108270104006067","","","0.71073","MoKα","","0.0567","0.0425","","","0.1003","0.1062","","","","","","1.058","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013947","12.016","0.002","14.141","0.002","15.406","0.002","90","","90","","90","","2617.8","0.7","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,6β-dihydroxy-olean-12-en-27-oic acid","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","1","FA1051","Hong-Xiang Sun; Yuan-Jiang Pan","3β,6β-Dihydroxyolean-12-en-27-oic acid: a cytotoxic and apoptosis-inducing oleanane triterpenoid from the rhizome of <i>Astilbe chinensis</i>","Acta Crystallographica Section C","2004","60","4","o300","o302","10.1107/S0108270104005530","","","0.71073","MoKα","","0.0484","0.0367","","","0.0832","0.086","","","","","","0.941","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013948","18.2744","0.0014","12.649","0.0011","17.76","0.002","90","","111.621","0.007","90","","3816.4","0.6","296","1","296","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","chloro[2-(4-imidazolyl-κN^1^)ethylamine-κN](1,10-phenanthroline- κ^2^N,N')copper(II) chloride monohydrate","","- C17 H19 Cl2 Cu N5 O -","- C17 H19 Cl2 Cu N5 O -","- C136 H152 Cl16 Cu8 N40 O8 -","8","1","FA1052","Bivián-Castro, Egla Y.; Bernès, Sylvain; Escalante, Jaime; Mendoza-Díaz, Guillermo","Chloro(histamine)(1,10-phenanthroline)copper(II) chloride monohydrate","Acta Crystallographica Section C","2004","60","5","m205","m207","10.1107/S0108270104006560","","","0.71073","MoKα","","0.047","0.0327","","","0.0822","0.0899","","","","","","1.013","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013949","7.3218","0.001","9.0547","0.0014","10.7935","0.0015","105.638","0.013","108.079","0.012","98.697","0.012","633.14","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-aqua-bis[(N-salicylidene-β-alaninato-κ^3^O,N,O')copper(II)] urea disolvate","","- C22 H30 Cu2 N6 O10 -","- C22 H30 Cu2 N6 O10 -","- C22 H30 Cu2 N6 O10 -","1","0.5","FA1055","Oľga Švajlenová; Ján Vančo; Jaromír Marek","Di-μ-aqua-bis[(<i>N</i>-salicylidene-β-alaninato-κ^3^<i>O,N,O</i>')copper(II)] urea disolvate","Acta Crystallographica Section C","2004","60","6","m275","m277","10.1107/S0108270104008030","","","0.71073","MoKα","","0.0364","0.0323","","","0.083","0.0851","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013950","9.8637","0.0002","16.3316","0.0005","11.311","0.0001","90","","111.726","0.002","90","","1692.66","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[aqua(2,2'-bipyridine-κ^2^N,N')manganese(II)]-μ-terephthalato- κ^3^O,O':O'']","","- C18 H14 Mn N2 O5 -","- C18 H14 Mn N2 O5 -","- C72 H56 Mn4 N8 O20 -","4","1","FA1056","Ma, Cheng-Bing; Hu, Ming-Qiang; Zhang, Chun-Xia; Chen, Feng; Chen,Chang-Neng; Liu, Qiu-Tian","<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-terephthalato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","2004","60","6","m288","m290","10.1107/S0108270104007565","","","0.71073","MoKα","","0.072","0.0455","","","0.1234","0.1498","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013951","20.3579","0.0004","8.3014","0.0001","22.2513","0.0004","90","","93.865","0.001","90","","3751.9","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2RS,4RS)-N-Acetyl-2,3,4,5-tetrahydro-2,4-diphenyl-1,5-benzothiazepine","","- C23 H21 N O S -","- C23 H21 N O S -","- C184 H168 N8 O8 S8 -","8","2","FA1057","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","Molecular conformation and supramolecular aggregation in four 2,3,4,5-tetrahydro-3,4-diphenylbenzothiazepines","Acta Crystallographica Section C","2004","60","6","o421","o426","10.1107/S0108270104008753","","","0.71073","MoKα","","0.121","0.0546","","","0.1046","0.1252","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013952","12.6348","0.0004","11.9337","0.0005","12.7904","0.0005","90","","92.549","0.002","90","","1926.63","0.13","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2RS,4RS)-N-Chloroacetyl-2,3,4,5-tetrahydro-2,4-diphenyl-1,5-benzothiazepine","","- C23 H20 Cl N O S -","- C23 H20 Cl N O S -","- C92 H80 Cl4 N4 O4 S4 -","4","1","FA1057","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","Molecular conformation and supramolecular aggregation in four 2,3,4,5-tetrahydro-3,4-diphenylbenzothiazepines","Acta Crystallographica Section C","2004","60","6","o421","o426","10.1107/S0108270104008753","","","0.71073","MoKα","","0.0828","0.043","","","0.0868","0.0984","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013953","30.1891","0.0008","14.8005","0.0003","9.7965","0.0003","90","","102.257","0.0016","90","","4277.4","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2RS,4RS)-N-Benzoyl-2,3,4,5-tetrahydro-2,4-diphenyl-1,5-benzothiazepine","","- C28 H23 N O S -","- C28 H23 N O S -","- C224 H184 N8 O8 S8 -","8","1","FA1057","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","Molecular conformation and supramolecular aggregation in four 2,3,4,5-tetrahydro-3,4-diphenylbenzothiazepines","Acta Crystallographica Section C","2004","60","6","o421","o426","10.1107/S0108270104008753","","","0.71073","MoKα","","0.0704","0.0428","","","0.0983","0.1088","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013954","12.227","0.004","12.936","0.003","21.51","0.006","90","","90","","90","","3402.2","1.7","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-{2-[(3,5-Di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl}- N-(5,7-dinitroquinolin-8-yl)-1-phenylmethanesulfonamide","","- C36 H35 N5 O7 S -","- C36 H35 N5 O7 S -","- C144 H140 N20 O28 S4 -","4","1","FG1728","Borbulevych, Oleg Ya.; Kurbatov, Sergey V.; Borisenko, Sergey N.; Olekhnovich, Lev P.","<i>N</i>-{2-[(3,5-Di-<i>tert</i>-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl}-<i>N</i>-(5,7-dinitroquinolin-8-yl)-1-phenylmethanesulfonamide: the nature of intramolecular shortened contacts","Acta Crystallographica Section C","2004","60","4","o235","o238","10.1107/S0108270104003439","","","0.71073","MoKα","","0.0627","0.0477","","","0.1118","0.1178","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013955","12.117","0.002","8.239","0.002","16.857","0.001","90","","108.804","0.008","90","","1593","0.5","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O2 Pd -","- C20 H14 N2 O2 Pd -","- C80 H56 N8 O8 Pd4 -","4","1","FG1730","Okabe, Nobuo; Hagihara, Kana; Odoko, Mamiko; Muranishi, Yasunori","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) and (2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section C","2004","60","4","m150","m152","10.1107/S0108270104002690","","","0.7107","MoKα","","","0.0267","","","","0.0783","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013956","9.859","0.005","19.67","0.01","10.922","0.005","90","","94.33","0.04","90","","2112","1.8","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N2 O2 Pd -","- C28 H18 N2 O2 Pd -","- C112 H72 N8 O8 Pd4 -","4","1","FG1730","Okabe, Nobuo; Hagihara, Kana; Odoko, Mamiko; Muranishi, Yasunori","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) and (2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')(2,3-naphthalenediolato-κ^2^<i>O</i>,<i>O</i>')palladium(II)","Acta Crystallographica Section C","2004","60","4","m150","m152","10.1107/S0108270104002690","","","0.7107","MoKα","","","0.0437","","","","0.1346","","","","","","0.975","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013957","18.9555","0.0014","8.0426","0.0004","17.1475","0.001","90","","90","","90","","2614.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","catena-Poly[europium(III)-tri-μ-2,3-dimethoxybenzoato]","","- C27 H27 Eu O12 -","- C27 H27 Eu O12 -","- C108 H108 Eu4 O48 -","4","1","FG1732","Li, Xia; Zou, Ying-Quan; Zheng, Bo; Hu, Huai-Ming","<i>catena</i>-Poly[europium(III)-tri-μ-2,3-dimethoxybenzoato]","Acta Crystallographica Section C","2004","60","5","m197","m199","10.1107/S0108270104006080","","","0.71073","MoKα","","0.0328","0.0277","","","0.0662","0.0674","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013958","8.4365","0.0005","9.0109","0.0007","15.408","0.0013","97.991","0.002","100.883","0.002","97.866","0.002","1122.95","0.15","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H35 Nd O9 -","- C20 H33 Nd O9 -","- C40 H66 Nd2 O18 -","2","1","FG1733","Borkowski, Lauren A.; Cahill, Christopher L.","Poly[[aquaneodymium(III)]-μ~3~-decane-1,10-dicarboxylato-μ~3~-9-carboxynonanecarboxylato]","Acta Crystallographica Section C","2004","60","4","m159","m161","10.1107/S0108270104003427","","","0.71073","MoKα","","0.0702","0.0589","","","0.103","0.1081","","","","","","0.978","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013959","12.885","0.002","14.089","0.002","13.519","0.003","90","","93.35","0.01","90","","2450","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[[1,8-bis(2-hydroxyethyl)-1,3,6,8,10,13- hexaazacyclotetradecane]copper(II)]-μ-cyano-[tricyanonitrosoiron(III)]- μ-cyano]","","- C17 H30 Cu Fe N12 O3 -","- C17 H30 Cu Fe N12 O3 -","- C68 H120 Cu4 Fe4 N48 O12 -","4","1","FG1736","Shen, Liang; Wang, Hua-Tong; Zhang, Yi-Jian; Jin, Zhi-Min","<i>catena</i>-Poly[[[1,8-bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]copper(II)]-μ-cyano-[tricyanonitrosoiron(III)]-μ-cyano]","Acta Crystallographica Section C","2004","60","4","m180","m182","10.1107/S0108270104004706","","","0.71073","MoKα","","0.0468","0.0316","","","0.072","0.0759","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013960","13.1381","0.0005","16.3486","0.0007","15.7094","0.0006","90","","94.003","0.001","90","","3366","0.2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H42 Cl5 N4 O Re S4 -","- C21 H42 Cl5 N4 O Re S4 -","- C84 H168 Cl20 N16 O4 Re4 S16 -","4","1","FG1741","Banerjee, Sangeeta Ray; Zubieta, Jon","A metal-mediated dimerization of the ligand bis(<i>N</i>,<i>N</i>-diethylamino)carbeniumdithiocarboxylate","Acta Crystallographica Section C","2004","60","5","m208","m209","10.1107/S0108270104006869","","","0.71073","MoKα","","0.0289","0.0245","","","0.0623","0.0642","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013961","9.1948","0.0002","9.8341","0.0002","12.2985","0.0003","83.145","0.001","82.933","0.001","80.865","0.001","1083.95","0.04","120","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 Cl4 N4 O4 -","- C12 H32 Cl4 N4 O4 -","- C24 H64 Cl8 N8 O8 -","2","1","FG1742","Philip J. Cox; Paul Kong Thoo Lin","Two oxazane macrocycles","Acta Crystallographica Section C","2004","60","5","o321","o324","10.1107/S0108270104006687","","","0.71073","MoKα","","0.0417","0.0315","","","0.0749","0.079","","","","","","1.047","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013962","7.6921","0.0002","8.392","0.0002","8.6696","0.0003","67.409","0.002","68.128","0.002","88.967","0.002","474.37","0.03","120","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H28 Cl4 N4 O4 -","- C10 H28 Cl4 N4 O4 -","- C10 H28 Cl4 N4 O4 -","1","0.5","FG1742","Philip J. Cox; Paul Kong Thoo Lin","Two oxazane macrocycles","Acta Crystallographica Section C","2004","60","5","o321","o324","10.1107/S0108270104006687","","","0.71073","MoKα","","0.0392","0.0302","","","0.072","0.0753","","","","","","1.047","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013963","6.024","0.002","10.371","0.003","9.917","0.003","90","","97.53","0.03","90","","614.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5,5-dimethoxy-2-phenoxy-1,3,2-dioxaphosphorinan-2-one","","- C11 H15 O6 P -","- C11 H15 O6 P -","- C22 H30 O12 P2 -","2","1","FG1743","Ślepokura, Katarzyna; Lis, Tadeusz","5,5-Dimethoxy-2-phenoxy-1,3,2-dioxaphosphorinane 2-oxide","Acta Crystallographica Section C","2004","60","5","o315","o317","10.1107/S0108270104006110","","","0.71073","MoKα","","0.0354","0.0328","","","0.0804","0.0819","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2013964","9.4916","0.001","10.7191","0.0011","17.836","0.0019","99.58","0.002","92.278","0.002","108.726","0.002","1686.2","0.3","300","2","300","2","","","","","","","","6","P -1","-P 1","2","[Ni(fupy)~4~(NCS)~2~].THF","tetrakis(furo[3,2-c]pyridine)bis(isothiocyanato)nickel(II) tetrahydrofuran solvate","","- C34 H28 N6 Ni O5 S2 -","- C34 H28 N6 Ni O5 S2 -","- C68 H56 N12 Ni2 O10 S4 -","2","1","FG1744","Miklovič, Jozef; Krutošíková, Alžbeta; Baran, Peter","Two furopyridine complexes of nickel(II) isothiocyanate","Acta Crystallographica Section C","2004","60","5","m227","m230","10.1107/S0108270104007796","","","0.71073","MoKα","","0.0444","0.0364","","","0.1035","0.1089","","","","","","1.045","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2013965","9.1663","0.001","10.5562","0.0011","12.1745","0.0013","79.863","0.002","79.03","0.002","74.521","0.002","1104.7","0.2","299","2","299","2","","","","","","","","6","P -1","-P 1","2","[Ni(Me~2~fupy)~4~(NCS)~2~].6.6H~2~O","tetrakis(2,3-dimethylfuro[3,2-c]pyridine)bis(isothiocyanato)nickel(II) 6.6-hydrate","","- C38 H49.2 N6 Ni O10.6 S2 -","- C38 H36 N6 Ni O4 S2 -","- C38 H36 N6 Ni O4 S2 -","1","0.5","FG1744","Miklovič, Jozef; Krutošíková, Alžbeta; Baran, Peter","Two furopyridine complexes of nickel(II) isothiocyanate","Acta Crystallographica Section C","2004","60","5","m227","m230","10.1107/S0108270104007796","","","0.71073","MoKα","","0.0706","0.0524","","","0.1356","0.1516","","","","","","1.064","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013966","8.8543","0.0015","11.1457","0.0019","11.5725","0.0019","109.624","0.003","106.173","0.003","107.339","0.003","931.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(pentane-1,5-diammonium) decaiodotriplumbate(II)","","- C10 H32 I10 N4 Pb3 -","- C10 H32 I10 N4 Pb3 -","- C10 H32 I10 N4 Pb3 -","1","0.5","FG1746","Billing, David G.; Lemmerer, Andreas","Bis(pentane-1,5-diammonium) decaiodotriplumbate(II)","Acta Crystallographica Section C","2004","60","5","m224","m226","10.1107/S0108270104007553","","","0.71073","MoKα","","0.0506","0.036","","","0.0993","0.1037","","","","","","1.101","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013967","19.663","0.004","7.5404","0.0013","21.929","0.004","90","","104.661","0.003","90","","3145.5","1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","benzene-1,4-dicarboxylic acid N,N-dimethylformamide disolvate","","- C14 H20 N2 O6 -","- C14 H20 N2 O6 -","- C112 H160 N16 O48 -","8","1","FG1747","Dale, Sophie H.; Elsegood, Mark R.J.","Hydrogen-bonding adducts of benzenepolycarboxylic acids with <i>N</i>,<i>N</i>-dimethylformamide: benzene-1,4-dicarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate, benzene-1,2,4,5-tetracarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate and benzene-1,2,3-tricarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate monohydrate","Acta Crystallographica Section C","2004","60","6","o444","o448","10.1107/S010827010400976X","","","0.71073","MoKα","","0.0873","0.0497","","","0.1195","0.1439","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013968","12.8905","0.001","7.9398","0.0006","13.8078","0.001","90","","108.162","0.002","90","","1342.79","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","benzene-1,2,4,5-tetracarboxylic acid N,N-dimethylformamide tetrasolvate","","- C22 H34 N4 O12 -","- C22 H34 N4 O12 -","- C44 H68 N8 O24 -","2","0.5","FG1747","Dale, Sophie H.; Elsegood, Mark R.J.","Hydrogen-bonding adducts of benzenepolycarboxylic acids with <i>N</i>,<i>N</i>-dimethylformamide: benzene-1,4-dicarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate, benzene-1,2,4,5-tetracarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate and benzene-1,2,3-tricarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate monohydrate","Acta Crystallographica Section C","2004","60","6","o444","o448","10.1107/S010827010400976X","","","0.71073","MoKα","","0.0499","0.0347","","","0.088","0.1","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013969","13.8441","0.0015","19.745","0.002","6.6606","0.0007","90","","90","","90","","1820.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","benzene-1,2,3-tricarboxylic acid N,N-dimethylformamide disolvate monohydrate","","- C15 H22 N2 O9 -","- C15 H22 N2 O9 -","- C60 H88 N8 O36 -","4","1","FG1747","Dale, Sophie H.; Elsegood, Mark R.J.","Hydrogen-bonding adducts of benzenepolycarboxylic acids with <i>N</i>,<i>N</i>-dimethylformamide: benzene-1,4-dicarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate, benzene-1,2,4,5-tetracarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate and benzene-1,2,3-tricarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate monohydrate","Acta Crystallographica Section C","2004","60","6","o444","o448","10.1107/S010827010400976X","","","0.71073","MoKα","","0.057","0.0494","","","0.1299","0.1381","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013970","4.1443","0.0005","10.4459","0.0008","24.1758","0.0019","90","","90","","90","","1046.59","0.17","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Bromophenyl)-2-methyl-4-nitro-1H-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C40 H32 Br4 N12 O8 -","4","1","FG1748","Kubicki, Maciej","1-(4-Bromophenyl)-2-methyl-4-nitro-1<i>H</i>-imidazole: bifurcated Br···O halogen‒nitro bonds","Acta Crystallographica Section C","2004","60","5","o341","o343","10.1107/S010827010400650X","","","0.71073","MoKα","","0.0527","0.0399","","","0.0862","0.0973","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013971","22.676","0.002","22.676","0.002","13.5195","0.0018","90","","90","","120","","6020.4","1.1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Tris{bis[hydrotris(1-pyrazolyl)borato-κ^2^N,N']iron(III)} hexaisothiocyanatoiron(III)","","- C60 H60 B6 Fe4 N42 S6 -","- C60 H60 B6 Fe4 N42 S6 -","- C180 H180 B18 Fe12 N126 S18 -","3","0.166667","FG1750","Wang, Shi; Li, Yi-Zhi; Zuo, Jing-Lin; Li, Cheng-Hui; You, Xiao-Zeng","Tris{bis[hydrotris(1-pyrazolyl)borato-κ^3^<i>N</i>^2^,<i>N</i>^2'^,<i>N</i>^2''^]iron(III)} hexaisothiocyanatoiron(III)","Acta Crystallographica Section C","2004","60","6","m258","m260","10.1107/S0108270104008741","","","0.71073","MoKα","","0.0668","0.0439","","","0.0992","0.1039","","","","","","1.11","","","","has coordinates","192308","2020-10-21","18:00:00",""
"2013972","12.1443","0.0012","12.2258","0.0012","14.5543","0.0014","99.774","0.002","103.547","0.002","117.775","0.002","1758.3","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Tris[N-(4-fluorophenyl)pyridine-2-carboxamide-κ^2^N,N']cobalt(III)","","- C36 H30 Co F3 N6 O6 -","- C36 H30 Co F3 N6 O6 -","- C72 H60 Co2 F6 N12 O12 -","2","1","FR1443","Qi, Jian Ying; Yang, Qi Yun; Chan, Shu Sun; Zhou, Zhong Yuan; Chan, Albert S. C.","Tris[<i>N</i>-(4-fluorophenyl)pyridine-2-carboxamidato-κ^2^<i>N</i>,<i>N</i>']cobalt(III) trihydrate: a novel meridional complex","Acta Crystallographica Section C","2004","60","5","m210","m211","10.1107/S0108270104005803","","","0.71073","MoKα","","0.0512","0.0409","","","0.1058","0.1119","","","","","","1.013","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013973","13.5688","0.001","7.5506","0.0006","18.0929","0.0014","90","","98.728","0.002","90","","1832.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3,4,4,5,5-Hexafluoro-1,2-bis(5-hydroxymethyl-2-methyl-3-thienyl)cyclopent-1- ene","","- C17 H14 F6 O2 S2 -","- C17 H14 F6 O2 S2 -","- C68 H56 F24 O8 S8 -","4","1","FR1446","Pu, Shou-Zhi; Zhang, Fu-Shi; Wang, Ru-Ji; Liang, Qiang","3,3,4,4,5,5-Hexafluoro-1,2-bis(5-hydroxymethyl-2-methyl-3-thienyl)cyclopent-1-ene","Acta Crystallographica Section C","2004","60","5","o305","o307","10.1107/S0108270104005815","","","0.71073","MoKα","","0.0784","0.0633","","","0.1138","0.1182","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013974","6.7602","0.0013","7.7124","0.0015","8.0237","0.0015","94.995","0.004","95.894","0.004","96.759","0.004","411.14","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,4-dimethoxybenzoic acid","","- C9 H10 O4 -","- C9 H10 O4 -","- C18 H20 O8 -","2","1","FR1460","Barich, Dewey H.; Zell, Mark T.; Powell, Douglas R.; Munson, Eric J.","2,4-Dimethoxybenzoic acid and 2,5-dimethoxybenzoic acid","Acta Crystallographica Section C","2004","60","4","o261","o262","10.1107/S0108270104003063","","","0.71073","MoKα","","0.0554","0.0465","","","0.1278","0.1355","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013975","10.081","0.0017","12.534","0.002","6.6408","0.0011","90","","92.729","0.004","90","","838.1","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-dimethoxybenzoic acid","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","FR1460","Barich, Dewey H.; Zell, Mark T.; Powell, Douglas R.; Munson, Eric J.","2,4-Dimethoxybenzoic acid and 2,5-dimethoxybenzoic acid","Acta Crystallographica Section C","2004","60","4","o261","o262","10.1107/S0108270104003063","","","0.71073","MoKα","","0.0665","0.0598","","","0.1631","0.1677","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013976","12.2779","0.0012","13.9092","0.0012","14.2565","0.0013","61.14","0.001","80.629","0.002","88.464","0.001","2100","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[aquabis(1H-benzimidazole-κN^3^)cadmium(II)]-μ-phthalato- κ^3^O,O':O''] hemihydrate]","","- C22 H19 Cd N4 O5.5 -","- C22 H19 Cd N4 O5.5 -","- C88 H76 Cd4 N16 O22 -","4","2","FR1465","Bing-Xin Liu; Jian-Rong Su; Duan-Jun Xu","<i>catena</i>-Poly[[[aquabis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cadmium(II)]-μ-phthalato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''] hemihydrate]","Acta Crystallographica Section C","2004","60","4","m183","m185","10.1107/S0108270104005529","","","0.71073","MoKα","","0.03","0.024","","","0.057","0.06","","","","","","1.066","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2013977","14.357","0.006","7.1964","0.0013","26.779","0.005","90","","100.35","0.04","90","","2721.8","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C112 H96 N32 O24 -","8","1","FR1466","Hörner, Manfredo; Brancher, Almir Luis; Silva, Angela; Bordinhao, Jairo; Mössmer, Cäcilia M.","3-(4-Acetylphenyl)-1-(4-nitrophenyl)triazene","Acta Crystallographica Section C","2004","60","5","o303","o304","10.1107/S0108270104004822","","","0.71073","MoKα","","","0.0523","","","","0.1423","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013978","10.354","0.002","8.269","0.002","13.512","0.003","90","","108.27","0.02","90","","1098.5","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-7-Oxo-1,2,3,4,4a,5,6,7-octahydronaphthalene-1-acetic acid","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","FR1467","Davison, Mark; Thompson, Hugh W.; Lalancette, Roger A.","(±)-7-Oxo-1,2,3,4,4a,5,6,7-octahydronaphthalene-1-acetic acid: catemeric hydrogen bonding and diastereomeric disorder in a bicyclic unsaturated ε-keto acid","Acta Crystallographica Section C","2004","60","4","o242","o244","10.1107/S0108270104003075","","","0.71073","MoKα","","0.122","0.062","","","0.142","0.171","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013979","13.618","0.003","7.2963","0.0013","18.316","0.005","90","","108.282","0.012","90","","1728","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Enoxacin","1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine- 3-carboxylic acid trihydrate","","- C15 H23 F N4 O6 -","- C15 H23 F N4 O6 -","- C60 H92 F4 N16 O24 -","4","1","FR1468","Parvez, Masood; Arayne, Saeed; Sultana, Najma; Siddiqi, Ahsan Zamir","Enoxacin trihydrate","Acta Crystallographica Section C","2004","60","4","o281","o283","10.1107/S0108270104004500","","","0.71073","MoKα","","0.051","0.036","","","0.089","0.097","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013980","4.6642","0.0012","7.831","0.002","20.607","0.005","90","","91.13","0.01","90","","752.5","0.3","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","p-decylphenyl isocyanide","","- C17 H25 N -","- C17 H25 N -","- C34 H50 N2 -","2","0.5","FR1469","Britton, Doyle; Sowa Jr, John R.; Mann, Kent R.","<i>p</i>-Decylphenyl isocyanide and <i>p</i>-decylbenzonitrile: isomorphous isonitrile/nitrile isomers","Acta Crystallographica Section C","2004","60","6","o418","o420","10.1107/S0108270104008388","","","0.71073","MoKα","","0.065","0.038","","","0.098","0.106","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013981","4.6526","0.0012","7.801","0.002","20.466","0.005","90","","90.5","0.01","90","","742.8","0.3","173","2","173","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","p-decylbenzonitrile","","- C17 H25 N -","- C17 H25 N -","- C34 H50 N2 -","2","0.5","FR1469","Britton, Doyle; Sowa Jr, John R.; Mann, Kent R.","<i>p</i>-Decylphenyl isocyanide and <i>p</i>-decylbenzonitrile: isomorphous isonitrile/nitrile isomers","Acta Crystallographica Section C","2004","60","6","o418","o420","10.1107/S0108270104008388","","","0.71073","MoKα","","0.128","0.046","","","0.093","0.107","","","","","","0.74","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013982","13.9423","0.0006","14.712","0.0008","17.2894","0.0007","90","","105.446","0.003","90","","3418.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-[1,3-bis(2,4-dimethylphenyl) imidazolidin-2-ylidene]dichlorotriphenyl phosphinepalladium(II)","","- C37 H37 Cl2 N2 P Pd -","- C37 H37 Cl2 N2 P Pd -","- C148 H148 Cl8 N8 P4 Pd4 -","4","1","FR1470","Gökçe, Aytaç Gürhan; Türkmen, Hayati; Aygün, Muhittin; Çetinkaya, Bekir; Kazak, Canan","<i>trans</i>-[1,3-Bis(2,4-dimethylphenyl)imidazolidin-2-ylidene]dichloro(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section C","2004","60","6","m254","m255","10.1107/S0108270104008479","","","0.71073","MoKα","","0.1049","0.0456","","","0.0809","0.0937","","","","","","0.827","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013983","9.732","0.004","11.31","0.004","11.638","0.004","94.61","0.03","113.08","0.03","115.24","0.03","1017.7","0.8","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","Rubidium bis(trifluoromethanesulfonyl)imidate dioxane disolvate","","- C10 H16 F6 N O8 Rb S2 -","- C10 H16 F6 N O8 Rb S2 -","- C20 H32 F12 N2 O16 Rb2 S4 -","2","1","FR1471","Xue, Lixin; Padgett, Clifford W.; DesMarteau, Darryl D.; Pennington, William T.","Rubidium bis(trifluoromethanesulfonyl)imidate dioxane disolvate","Acta Crystallographica Section C","2004","60","5","m200","m202","10.1107/S0108270104005797","","","0.71073","MoKα","","0.082","0.0374","","","0.0581","0.0606","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013984","6.9938","0.0011","21.636","0.003","8.1078","0.0013","90","","108.724","0.003","90","","1161.9","0.3","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(2-chlorophenyldiazenyl)salicylaldehyde","","- C13 H9 Cl N2 O2 -","- C13 H9 Cl N2 O2 -","- C52 H36 Cl4 N8 O8 -","4","1","FR1474","Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Lönnecke, Peter","5-(2-Chlorophenyldiazenyl)salicylaldehyde and 4-(2-chlorophenyldiazenyl)-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one","Acta Crystallographica Section C","2004","60","5","o318","o320","10.1107/S0108270104006122","","","0.71073","MoKα","","0.061","0.044","","","0.101","0.108","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013985","16.122","0.003","8.3847","0.0012","13.359","0.002","90","","110.689","0.003","90","","1689.4","0.5","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-chlorophenyldiazenyl)-2- {[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one","","- C17 H18 Cl N3 O4 -","- C17 H18 Cl N3 O4 -","- C68 H72 Cl4 N12 O16 -","4","1","FR1474","Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Lönnecke, Peter","5-(2-Chlorophenyldiazenyl)salicylaldehyde and 4-(2-chlorophenyldiazenyl)-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one","Acta Crystallographica Section C","2004","60","5","o318","o320","10.1107/S0108270104006122","","","0.71073","MoKα","","0.052","0.034","","","0.092","0.109","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013986","6.77","0.002","13.16","0.003","15.553","0.004","90","","90","","90","","1385.7","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-parasantonic acid","(-)-α,3a,7-trimethyl-5,8-dioxo-1,4-ethanoperhydropentalene-1-acetic acid","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","FR1475","Zinczuk, Juan; Ruveda, Edmundo A.; Thompson, Hugh W.; Lalancette, Roger A.","(‒)-Parasantonic acid and its enol lactone, (+)-parasantonide: observation of the rare acid-to-acid catemeric hydrogen-bonding mode in a γ,ε-diketocarboxylic acid","Acta Crystallographica Section C","2004","60","6","o408","o410","10.1107/S010827010400839X","","","0.71073","MoKα","","0.072","0.05","","","0.116","0.128","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013987","8.562","0.002","11.656","0.003","13.275","0.004","90","","90","","90","","1324.8","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-parasantonide","(-)-α,3a,7-trimethyl-5-oxo-1,4-ethenoperhydropentalene-1,8-carbolactone","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","FR1475","Zinczuk, Juan; Ruveda, Edmundo A.; Thompson, Hugh W.; Lalancette, Roger A.","(‒)-Parasantonic acid and its enol lactone, (+)-parasantonide: observation of the rare acid-to-acid catemeric hydrogen-bonding mode in a γ,ε-diketocarboxylic acid","Acta Crystallographica Section C","2004","60","6","o408","o410","10.1107/S010827010400839X","","","0.71073","MoKα","","0.106","0.052","","","0.079","0.093","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013988","12.644","0.0008","8.3499","0.0003","20.1529","0.0012","90","","96.693","0.005","90","","2113.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","2","FR1477","Kos̨ar, Bas̨ak; Büyükgüngör, Orhan; Albayrak, Çiğdem; Odabaşoğlu, Mustafa","3-Hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone and 2-hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone","Acta Crystallographica Section C","2004","60","6","o458","o460","10.1107/S0108270104010832","","","0.71073","MoKα","","0.0529","0.0341","","","0.0872","0.093","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013989","13.2579","0.0011","7.8772","0.0008","20.4502","0.0015","90","","91.369","0.006","90","","2135.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","1","FR1477","Kos̨ar, Bas̨ak; Büyükgüngör, Orhan; Albayrak, Çiğdem; Odabaşoğlu, Mustafa","3-Hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone and 2-hydroxy-6-[(4-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone","Acta Crystallographica Section C","2004","60","6","o458","o460","10.1107/S0108270104010832","","","0.71073","MoKα","","0.069","0.0435","","","0.1143","0.1233","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013990","5.5739","0.0012","12.814","0.003","14.396","0.003","80.425","0.014","85.53","0.02","82.67","0.02","1003.9","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(±)-3-Ethyl-2-methyl-4-oxocyclohexanecarboxylic acid","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","2","FR1484","Davison, Mark; Kikolski,Elizabeth M.; Lalancette, Roger A.; Thompson, Hugh W.","(<b>±</b>)-3-Ethyl-2-methyl-4-oxocyclohexanecarboxylic acid: catemeric hydrogen bonding in a cyclic δ-keto acid","Acta Crystallographica Section C","2004","60","6","o449","o451","10.1107/S0108270104010534","","","0.71073","MoKα","","0.07","0.048","","","0.119","0.133","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013991","9.0807","0.0009","9.155","0.0009","16.0629","0.0016","90","","100.409","0.002","90","","1313.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N3 O P -","- C15 H12 N3 O P -","- C60 H48 N12 O4 P4 -","4","1","GA1045","Bowen, Richard J.; Fernandes, Manuel A.; Gitari, Patricia W.; Layh, Marcus","Tris(2-pyridyl)phosphine oxide: how C—H···O and C—H···N interactions can affect crystal packing efficiency","Acta Crystallographica Section C","2004","60","4","o258","o260","10.1107/S0108270104003956","","","0.71073","MoKα","","0.0504","0.0362","","","0.089","0.0961","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013992","7.8263","0.0009","10.8009","0.0009","15.7878","0.0012","83.457","0.005","77.039","0.007","82.326","0.007","1284","0.2","294","1","293","1","","","","","","","","3","P -1","-P 1","2","4,6-diphenyl-2-pyrimidinylamine","4,6-diphenyl-2-pyrimidinylamine","","- C16 H13 N3 -","- C16 H13 N3 -","- C64 H52 N12 -","4","2","GD1292","Gallagher, John F.; Goswami, Shyamaprosad; Chatterjee, Baidyanath; Jana, Subrata; Dutta, Kalyani","N—H···N hydrogen bonding in 4,6-diphenyl-2-pyrimidinylamine isolated from the plant <i>Justicia secunda</i> (Acanthaceae)","Acta Crystallographica Section C","2004","60","4","o229","o231","10.1107/S0108270104002902","","","0.71073","MoKα","","0.085","0.047","","","0.101","0.119","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013993","15.01","0.001","9.036","0.0008","20.45","0.002","90","","98.773","0.009","90","","2741.2","0.4","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H26.5 Cu N4 O4 -","- C28.5 H26.5 Cu N4 O4 -","- C114 H106 Cu4 N16 O16 -","4","0.5","GD1293","A. van der Lee; M. Barboiu","A two-dimensional network of <i>R</i>_<b>2</b>^<b>2</b>(16) and <i>R</i>_<b>4</b>^<b>2</b>(8) rings in <i>trans</i>-bis(4-aminopyridine-κ<i>N</i>^1^)bis(benzoato-κ^2^<i>O</i>,<i>O</i>')copper(II) benzene 0.75-solvate","Acta Crystallographica Section C","2004","60","4","m156","m158","10.1107/S0108270104003749","","","0.71073","MoKα","","0.1386","0.0554","","0.1679","0.139","0.139","","","","","","0.9487","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2013994","20.685","0.0019","13.168","0.0013","10.488","0.011","90","","101.921","0.005","90","","2795","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-[Benzoyl(hydroxyimino)methylamino]benzoic acid","","- C15 H12 N2 O4 -","- C15 H12 N2 O4 -","- C120 H96 N16 O32 -","8","1","GD1303","Soylu, Serkan; Tas̨, Murat; Batı, Hümeyra; Çalıs̨kan, Nezihe; Büyükgüngör, Orhan","2-[Benzoyl(hydroxyimino)methylamino]benzoic acid","Acta Crystallographica Section C","2004","60","4","o263","o264","10.1107/S0108270104003890","","","0.71073","MoKα","","0.077","0.0412","","","0.0885","0.0973","","","","","","0.862","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013995","9.8976","0.0009","9.6168","0.0009","11.67","0.001","90","","103.313","0.007","90","","1080.94","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-methyl-4-nitro-1-phenyl-1H-imidazole-5-carbonitrile","","- C11 H8 N4 O2 -","- C11 H8 N4 O2 -","- C44 H32 N16 O8 -","4","1","GD1304","Kubicki, Maciej","Cyano‒cyano and chloro‒cyano interactions in two imidazole derivatives","Acta Crystallographica Section C","2004","60","4","o255","o257","10.1107/S0108270104003294","","","0.71073","MoKα","","0.0959","0.0386","","","0.0809","0.0932","","","","","","0.913","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013996","12.6819","0.0016","6.8018","0.0011","15.1799","0.0016","90","","114.497","0.011","90","","1191.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4-chlorophenyl)-2-methyl-4-nitro-1H-imidazole-5-carbonitrile","","- C11 H7 Cl N4 O2 -","- C11 H7 Cl N4 O2 -","- C44 H28 Cl4 N16 O8 -","4","1","GD1304","Kubicki, Maciej","Cyano‒cyano and chloro‒cyano interactions in two imidazole derivatives","Acta Crystallographica Section C","2004","60","4","o255","o257","10.1107/S0108270104003294","","","0.71073","MoKα","","0.0778","0.0416","","","0.0907","0.1018","","","","","","0.974","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013997","15.959","0.003","20.793","0.004","24.403","0.005","90","","90","","90","","8098","3","123","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","isoamylcobalamin acetone solvate hydrate","","","- C68.15 H126.61 Co N13 O27.03 P -","- C68.155 H122.11 Co N13 O27.035 P -","- C272.62 H488.44 Co4 N52 O108.14 P4 -","4","1","GD1306","Christopher B. Perry; Manuel A. Fernandes; Helder M. Marques","Isoamylcobalamin‒acetone‒water (1/0.385/12.650)","Acta Crystallographica Section C","2004","60","4","m165","m167","10.1107/S010827010400366X","","","0.71073","MoKα","","","0.0426","","","","0.1073","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013998","6.362","0.003","11.071","0.004","11.895","0.004","90","","90.22","0.02","90","","837.8","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrachlorodiaquatin(IV) monohydrate","","- Cl4 H6 O3 Sn -","- Cl4 H6 O3 Sn -","- Cl16 H24 O12 Sn4 -","4","1","GD1307","Genge, Anthony R. J.; Levason, William; Patel, Rina; Reid, Gillian; Webster, Michael","Hydrates of tin tetrachloride","Acta Crystallographica Section C","2004","60","4","i47","i49","10.1107/S0108270104005633","","","0.71073","MoKα","","0.0318","0.0286","","","0.0793","0.0815","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013999","23.987","0.004","6.714","0.006","11.58","0.003","90","","93.77","0.02","90","","1860.9","1.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Tetrachlorodiaquatin(IV) dihydrate","","- Cl4 H8 O4 Sn -","- Cl4 H8 O4 Sn -","- Cl32 H64 O32 Sn8 -","8","2","GD1307","Genge, Anthony R. J.; Levason, William; Patel, Rina; Reid, Gillian; Webster, Michael","Hydrates of tin tetrachloride","Acta Crystallographica Section C","2004","60","4","i47","i49","10.1107/S0108270104005633","","","0.71073","MoKα","","0.0291","0.0289","","","0.0741","0.0742","","","","","","1.127","","","","has coordinates,has Fobs","194546","2020-10-21","18:00:00",""
"2014000","10.8307","0.0007","23.9974","0.0015","8.6318","0.0006","90","","90.058","0.002","90","","2243.5","0.3","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4,4,12,12-Tetramethyl-5,8,11-triazapenta-2,14-dione 2-oxime 14-oximato-κ^5^N)copper(II) perchlorate","","- C16 H34 Cl Cu N5 O6 -","- C16 H34 Cl Cu N5 O6 -","- C64 H136 Cl4 Cu4 N20 O24 -","4","1","GD1308","Curtis, Neil F.; Gladkikh, Olga P.; Morgan, Keith R.; Heath, Sarah L.","(4,4,12,12-Tetramethyl-5,8,11-triazapenta-2,14-dione 2-oxime 14-oximato-κ^5^<i>N</i>)copper(II) perchlorate: a copper(II) compound with a pentadentate triamine‒oxime‒oximate ligand","Acta Crystallographica Section C","2004","60","6","m256","m257","10.1107/S0108270104008765","","","0.71073","MoKα","","0.0464","0.0403","","","0.0958","0.1004","","","","","","1.122","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014001","30.535","0.006","7.055","0.001","13.746","0.003","90","","109.18","0.03","90","","2796.8","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(1,1-dimethylbiguanido)copper(II) hydrate","","- C8 H22 Cu N10 O -","- C8 H22 Cu N10 O -","- C64 H176 Cu8 N80 O8 -","8","1","GD1310","Lu, Liping; Yang, pin; Qin, shidong; Zhu, Miaoli","Bis[1,1-dimethylbiguanide(1‒)-κ^2^<i>N</i>^2^,<i>N</i>^5^]copper(II) monohydrate","Acta Crystallographica Section C","2004","60","5","m219","m220","10.1107/S0108270104006729","","","0.71073","MoKα","","0.0569","0.0399","","","0.088","0.0935","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014002","19.2497","0.001","19.2497","0.001","6.9209","0.0004","90","","90","","90","","2564.5","0.2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","2-bromoresorcinol","1-Bromo-2,6-dihydroxybenzene","","- C6 H5 Br O2 -","- C6 H5 Br O2 -","- C96 H80 Br16 O32 -","16","1","GD1314","Kirsop, Peter; Storey, John M. D.; Harrison, William T. A.","1-Bromo-2,6-dihydroxybenzene containing <i>R</i>~4~^4^(8) rings and <i>C</i>(2) helices","Acta Crystallographica Section C","2004","60","5","o353","o355","10.1107/S0108270104006882","","","0.71073","MoKα","","0.0413","0.026","","","0.0615","0.0644","","","","","","0.967","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014003","22.535","0.002","11.9796","0.0012","16.4774","0.0017","90","","123.285","0.002","90","","3718.5","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-pivalamidato-κ^4^N,O- bis[(sulfato)(2,2'-bipyridine-κ^2^N,N')platinum(III)] tetrahydrate","","- C30 H44 N6 O14 Pt2 S2 -","- C30 H44 N6 O14 Pt2 S2 -","- C120 H176 N24 O56 Pt8 S8 -","4","0.5","GD1315","Yokokawa, Kazuo; Sakai, Ken","Di-μ-pivalamidato-κ^4^<i>N</i>:<i>O</i>;<i>O</i>:<i>N</i>-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)platinum(III)] tetrahydrate in a head-to-tail isomerism","Acta Crystallographica Section C","2004","60","6","m244","m247","10.1107/S010827010400811X","","","0.71073","MoKα","","0.0652","0.0437","","","0.1082","0.1277","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","199607","2020-10-21","18:00:00",""
"2014004","10.0619","0.0007","19.8127","0.0013","12.7511","0.0008","90","","99.594","0.002","90","","2506.4","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(dipiperidin-1-ylmethylene)propane-1,3-diamine","","- C25 H46 N6 -","- C25 H46 N6 -","- C100 H184 N24 -","4","1","GG1207","Herres, Sonja; Flörke, Ulrich; Henkel, Gerald","<i>N</i>,<i>N</i>'-Bis(dipiperidin-1-ylmethylene)propane-1,3-diamine and <i>N</i>,<i>N</i>'-bis(1,3-dimethylperhydropyrimidin-2-ylidene)propane-1,3-diamine","Acta Crystallographica Section C","2004","60","5","o358","o360","10.1107/S0108270104007012","","","0.71073","MoKα","","0.0682","0.042","","","0.0838","0.0899","","","","","","0.863","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014005","6.9057","0.0007","7.6661","0.0007","16.3568","0.0016","89.307","0.003","82.355","0.002","73.152","0.002","821.07","0.14","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(1,3-dimethylperhydropyrimidin-2-ylidene)propane-1,3-diamine","","- C15 H30 N6 -","- C15 H30 N6 -","- C30 H60 N12 -","2","1","GG1207","Herres, Sonja; Flörke, Ulrich; Henkel, Gerald","<i>N</i>,<i>N</i>'-Bis(dipiperidin-1-ylmethylene)propane-1,3-diamine and <i>N</i>,<i>N</i>'-bis(1,3-dimethylperhydropyrimidin-2-ylidene)propane-1,3-diamine","Acta Crystallographica Section C","2004","60","5","o358","o360","10.1107/S0108270104007012","","","0.71073","MoKα","","0.1233","0.054","","","0.082","0.113","","","","","","0.836","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014006","23.987","0.002","3.9394","0.0005","22.965","0.002","90","","90","","90","","2170.1","0.4","90","0.1","90","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C96 H72 Br8 N16 O8 -","8","2","GG1208","Ejsmont, Krzysztof; Domański, Andrzej A.; Kyzioł, Janusz B.; Zaleski, Jacek","<i>trans</i>-4-Bromo-<i>ONN</i>-azoxybenzene at 100K","Acta Crystallographica Section C","2004","60","5","o368","o370","10.1107/S0108270104007103","","","0.71073","MoKα","","0.0281","0.0269","","","0.0615","0.0622","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014007","5.0776","0.0001","8.6533","0.0003","10.7804","0.0003","111.261","0.0015","102.437","0.002","93.597","0.002","425.88","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(Cyclohexylideneamino)oxyacetic acid","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C16 H26 N2 O6 -","2","1","GG1209","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(Cyclohexylideneamino)oxyacetic acid and [chloro(phenyl)methyleneamino]oxyacetic acid: hydrogen-bonded <i>R</i>_2^2(8) dimers and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","4","o270","o272","10.1107/S0108270104004299","","","0.71073","MoKα","","0.0493","0.0379","","","0.0917","0.0976","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014008","6.7961","0.0001","7.3857","0.0002","10.8173","0.0003","98.4852","0.0009","93.4156","0.001","117.019","0.0012","473.44","0.02","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","[Chloro(phenyl)methyleneamino]oxyacetic acid","","- C9 H8 Cl N O3 -","- C9 H8 Cl N O3 -","- C18 H16 Cl2 N2 O6 -","2","1","GG1209","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(Cyclohexylideneamino)oxyacetic acid and [chloro(phenyl)methyleneamino]oxyacetic acid: hydrogen-bonded <i>R</i>_2^2(8) dimers and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","4","o270","o272","10.1107/S0108270104004299","","","0.71073","MoKα","","0.0444","0.0403","","","0.1293","0.1412","","","","","","1.2","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014009","12.5174","0.0007","4.2601","0.0003","16.0042","0.0009","90","","111.58","0.001","90","","793.61","0.08","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-iodo-3-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C24 H20 I4 N8 O8 -","4","1","GG1211","Garden, Simon J.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Hydrogen bonding in substituted nitroanilines: hydrogen-bonded sheets in 4-iodo-3-nitroaniline","Acta Crystallographica Section C","2004","60","5","o328","o330","10.1107/S0108270104006092","","","0.71073","MoKα","","0.0605","0.0387","","","0.0957","0.1069","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014010","5.1689","0.0001","14.3184","0.0003","16.1506","0.0004","98.121","0.001","97.963","0.001","99.033","0.001","1152.75","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1,3-Bis[(2,4,6-trimethylbenzenesulfonyl)aminooxy]propane","","- C21 H30 N2 O6 S2 -","- C21 H30 N2 O6 S2 -","- C42 H60 N4 O12 S4 -","2","1","GG1212","Wardell, Solange M. S. V.; Rangel e Silva, Marcus V. D.; Prado, Patricia F.; Low, John N.; Glidewell, Christopher","<i>N</i>,<i>N</i>'-Propylenedioxybis(2,4,6-trimethylbenzenesulfonamide): molecules of unexpected conformation form a molecular ladder built from two independent N—H···O=S hydrogen bonds","Acta Crystallographica Section C","2004","60","5","o325","o327","10.1107/S0108270104006109","","","0.71073","MoKα","","0.0543","0.0401","","","0.1001","0.1078","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014011","6.441","0.0013","9.633","0.0019","24.911","0.005","90","","92.98","0.03","90","","1543.5","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","GG1213","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Mark A. Minton","2-Amino-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile and 2-amino-7,7-dimethyl-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section C","2004","60","5","o334","o337","10.1107/S0108270104006924","","","0.71073","MoKα","","0.0879","0.0512","","","0.1355","0.1569","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014012","7.456","0.003","14.854","0.007","16.133","0.009","90","","96.16","0.02","90","","1776.4","1.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-7,7-dimethyl-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene- 3-carbonitrile","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","GG1213","Vladimir N. Nesterov; David J. Wiedenfeld; Svitlana V. Nesterova; Mark A. Minton","2-Amino-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile and 2-amino-7,7-dimethyl-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section C","2004","60","5","o334","o337","10.1107/S0108270104006924","","","0.71073","MoKα","","0.0703","0.0481","","","0.1175","0.1318","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014013","7.07","0.005","11.644","0.009","12.243","0.0011","90","","94.035","0.003","90","","1005.4","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-hydroxy-4-oxopent-2-en-3-yl)benzonitrile","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","HJ1000","Chen, Banglin; Fronczek, Frank R.; Maverick, Andrew W.","3-(4-Cyanophenyl)pentane-2,4-dione and its copper(II) complex","Acta Crystallographica Section C","2004","60","4","m147","m149","10.1107/S0108270104002938","","","0.71073","MoKα","","0.079","0.051","","","0.121","0.138","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014014","7.6087","0.001","9.26","0.002","15.198","0.003","91.327","0.008","92.814","0.008","107.509","0.012","1019.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","bis[3-(4-cyanophenyl)pentane-2,4-dionato-κ^2^O,O]copper(II)","","- C24 H20 Cu N2 O4 -","- C24 H20 Cu N2 O4 -","- C48 H40 Cu2 N4 O8 -","2","1","HJ1000","Chen, Banglin; Fronczek, Frank R.; Maverick, Andrew W.","3-(4-Cyanophenyl)pentane-2,4-dione and its copper(II) complex","Acta Crystallographica Section C","2004","60","4","m147","m149","10.1107/S0108270104002938","","","0.71073","MoKα","","0.056","0.038","","","0.08","0.087","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014015","22.174","0.004","7.9968","0.0016","22.519","0.005","90","","94.5","0.03","90","","3980.8","1.4","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 N P -","- C25 H22 N P -","- C200 H176 N8 P8 -","8","1","HJ1003","Pretorius, Marié; Williams, D. Bradley G.; Roodt, Andreas; Muller, Alfred","[2-(Anilinomethyl)phenyl]diphenylphosphine and {2-[(<i>N</i>-methylanilino)methyl]phenyl}diphenylphosphine","Acta Crystallographica Section C","2004","60","6","o384","o386","10.1107/S0108270104007693","","","0.71073","MoKα","","","0.0455","","","","0.1031","","","","","","0.862","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014016","23.518","0.005","8.2811","0.0017","21.892","0.004","90","","93.04","0.03","90","","4257.6","1.5","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N P -","- C26 H24 N P -","- C208 H192 N8 P8 -","8","1","HJ1003","Pretorius, Marié; Williams, D. Bradley G.; Roodt, Andreas; Muller, Alfred","[2-(Anilinomethyl)phenyl]diphenylphosphine and {2-[(<i>N</i>-methylanilino)methyl]phenyl}diphenylphosphine","Acta Crystallographica Section C","2004","60","6","o384","o386","10.1107/S0108270104007693","","","0.71073","MoKα","","","0.0464","","","","0.1142","","","","","","0.912","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014017","16.423","0.003","5.005","0.001","7.654","0.002","90","","90","","90","","629.1","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","Glycine lithium sulfate","","","- C2 H5 Li2 N O6 S -","- C2 H5 Li2 N O6 S -","- C8 H20 Li8 N4 O24 S4 -","4","1","HJ1004","Michel Fleck; Ladislav Bohatý","Three novel non-centrosymmetric compounds of glycine: glycine lithium sulfate, glycine nickel dichloride dihydrate and glycine zinc sulfate trihydrate","Acta Crystallographica Section C","2004","60","6","m291","m295","10.1107/S0108270104009825","","","0.71073","MoKα","","0.0266","0.0246","","","0.0646","0.066","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014018","8.203","0.002","5.475","0.001","8.311","0.002","90","","90.97","0.03","90","","373.21","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Glycine nickel dichloride dihydrate","","","- C2 H9 Cl2 N Ni O4 -","- C2 H9 Cl2 N Ni O4 -","- C4 H18 Cl4 N2 Ni2 O8 -","2","1","HJ1004","Michel Fleck; Ladislav Bohatý","Three novel non-centrosymmetric compounds of glycine: glycine lithium sulfate, glycine nickel dichloride dihydrate and glycine zinc sulfate trihydrate","Acta Crystallographica Section C","2004","60","6","m291","m295","10.1107/S0108270104009825","","","0.71073","MoKα","","0.0161","0.0157","","","0.0375","0.0376","","","","","","1.125","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014019","8.44","0.002","8.278","0.002","12.521","0.003","90","","90","","90","","874.8","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Glycine zinc sulfate trihydrate","","","- C2 H11 N O9 S Zn -","- C2 H11 N O9 S Zn -","- C8 H44 N4 O36 S4 Zn4 -","4","1","HJ1004","Michel Fleck; Ladislav Bohatý","Three novel non-centrosymmetric compounds of glycine: glycine lithium sulfate, glycine nickel dichloride dihydrate and glycine zinc sulfate trihydrate","Acta Crystallographica Section C","2004","60","6","m291","m295","10.1107/S0108270104009825","","","0.71073","MoKα","","0.0399","0.0301","","","0.0628","0.0669","","","","","","1.018","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014020","13.5603","0.001","7.8549","0.0006","15.8121","0.0011","90","","101.063","0.002","90","","1652.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","diospyrin","1',5-dihydroxy-3',7-dimethyl-2,2'-binaphthalene-1,4,5',8'-tetrone","","- C22 H14 O6 -","- C22 H14 O6 -","- C88 H56 O24 -","4","1","HJ1005","Harrison, William T. A.; Musgrave, Oliver C.","Diospyrin","Acta Crystallographica Section C","2004","60","6","o399","o401","10.1107/S0108270104007826","","","0.71073","MoKα","","0.0911","0.046","","","0.11","0.127","","","","","","0.918","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014021","23.448","0.002","6.351","0.0005","20.79","0.003","90","","109.94","0.01","90","","2910.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ethyl-α-anilinobenzylphosphonate","Monoethyl [α-(phenylaminio)benzyl]phosphonate","","- C15 H18 N O3 P -","- C15 H18 N O3 P -","- C120 H144 N8 O24 P8 -","8","1","HJ1006","Višnjevac, Aleksandar; Tušek-Božić, Ljerka","Two types of monoethyl α-anilinobenzylphosphonates: a zwitterion and a molecular compound","Acta Crystallographica Section C","2004","60","6","o434","o437","10.1107/S0108270104009497","","","1.54179","CuKα","","0.091","0.0499","","","0.1156","0.1329","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014022","35.2","0.02","6.419","0.004","22.86","0.01","90","","127.42","0.04","90","","4102","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","monoethyl {α-[4-(phenyldiazenyl)anilino]benzyl}phosphonate","","- C21 H22 N3 O3 P -","- C21 H22 N3 O3 P -","- C168 H176 N24 O24 P8 -","8","1","HJ1006","Višnjevac, Aleksandar; Tušek-Božić, Ljerka","Two types of monoethyl α-anilinobenzylphosphonates: a zwitterion and a molecular compound","Acta Crystallographica Section C","2004","60","6","o434","o437","10.1107/S0108270104009497","","","1.5418","CuKα","","0.1157","0.0611","","","0.1338","0.1605","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014023","17.08","0.003","14.691","0.0018","5.5356","0.0007","90","","90","","90","","1389","0.3","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","Magnesium Sodium Pyrovanadate","","","- Mg2 Na6 O15 V4 -","- Mg2 Na6 O15 V4 -","- Mg8 Na24 O60 V16 -","4","0.5","IZ1039","Mitiaev, Alexander, S; Mironov, Andrei, V.; Shpanchenko, Roman, V.; Antipov, Evgeny, V.","Sodium magnesium bis(vanadate) pyrovanadate: Na~6~Mg~2~(VO~4~)~2~(V~2~O~7~)","Acta Crystallographica Section C","2004","60","5","i56","i58","10.1107/S0108270104005384","","","0.71069","MoKα","","0.0372","0.0372","","","0.0498","0.0498","","","","","","1.71","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014024","9.201","0.0012","29.032","0.005","9.2079","0.0017","90","","115.45","0.03","90","","2221","0.8","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Barium zirconium oxalate hydrate","Triaquatetraoxalatodibarium(II)zirconium(IV)","","- C8 H6 Ba2 O19 Zr -","- C8 H6 Ba2 O19 Zr -","- C32 H24 Ba8 O76 Zr4 -","4","0.5","IZ1040","Vertruyen, Bénédicte; Robertz, Bénédicte; Guillaume, Bernard; Rulmont, André; Spirlet, Marie-Rose","Dibarium zirconium tetraoxalate trihydrate","Acta Crystallographica Section C","2004","60","6","m233","m234","10.1107/S0108270104006791","","","0.71073","MoKα","","0.0669","0.0468","","","0.1151","0.1244","","","","","","1.049","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2014025","9.5012","0.0001","9.5012","0.0001","56.4199","0.0006","90","","90","","120","","4410.83","0.08","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Dicaesium pentadecamolybdenum nonadecasulfide","","- Cs2 Mo15 S19 -","- Cs2 Mo15 S19 -","- Cs12 Mo90 S114 -","6","0.166667","IZ1041","Picard, S.; Salloum, D.; Gougeon, P.; Potel, M.","Cs~2~Mo~15~S~19~: a novel ternary reduced molybdenum sulfide containing Mo~6~ and Mo~9~ clusters","Acta Crystallographica Section C","2004","60","6","i61","i62","10.1107/S0108270104008248","","","0.71069","MoKα","","0.0403","0.03","","","0.0584","0.0617","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014026","11.567","0.004","12.833","0.004","17.572","0.006","108.031","0.006","95.774","0.006","111.805","0.006","2233.1","1.3","203","2","203","2","","","","","","","","3","P -1","-P 1","2","3,4,5-Triiodotetraphenylmethane","Triphenyl(3,4,5-triiodophenyl)methane","","- C25 H17 I3 -","- C25 H17 I3 -","- C100 H68 I12 -","4","2","JZ1609","Reddy, C. Malla; Nangia, Ashwini; Jetti, Ram K. R.; Boese, Roland","Triphenyl(3,4,5-triiodophenyl)methane","Acta Crystallographica Section C","2004","60","5","o331","o333","10.1107/S0108270104006146","","","0.71073","MoKα","","0.0758","0.0587","","","0.1707","0.1843","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014027","6.7444","0.0012","11.718","0.003","15.734","0.002","90","","90","","90","","1243.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 O5 -","- C12 H13 N3 O5 -","- C48 H52 N12 O20 -","4","1","JZ1612","Seela, Frank; Jawalekar, Anup M.; Eickmeier, Henning","1-(2-Deoxy-β-<small>D</small>-<i>erythro</i>-pentofuranosyl)-4-nitro-1<i>H</i>-indazole","Acta Crystallographica Section C","2004","60","6","o387","o389","10.1107/S0108270104008005","","","0.71073","MoKα","","0.0413","0.0375","","","0.101","0.105","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014028","32.322","0.005","32.322","0.005","8.084","0.002","90","","90","","120","","7314","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","N-{(1E)-Amino[3-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1- yl]methylene}-1H-imidazole-1-carboxamide","","- C16 H18 N6 O -","- C16 H18 N6 O -","- C288 H324 N108 O18 -","18","1","JZ1613","Viktor Kettmann; Jan Světlík; Jiří Kubišta","<i>N</i>-{(1<i>E</i>)-Amino[3-methyl-5-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]methylene}-1<i>H</i>-imidazole-1-carboxamide","Acta Crystallographica Section C","2004","60","6","o431","o433","10.1107/S010827010400890X","","","0.71073","MoKα","","0.0637","0.0402","","","0.0967","0.1081","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014029","5.2254","0.0004","12.9371","0.0009","10.5425","0.0006","90","","94.247","0.003","90","","710.73","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","catena-Poly[[dichloro-zinc(II)]-μ-1,3-di-4-pyridylpropane-κ^2^N:N']","","- C13 H14 Cl2 N2 Zn -","- C13 H14 Cl2 N2 Zn -","- C26 H28 Cl4 N4 Zn2 -","2","0.5","NA1639","Chen, Yu-Biao; Kang, Yao; Qin, Ye-Yan; Li, Zhao-Ji; Cheng, Jian-Kai; Hu, Rui-Feng; Wen, Yi-Hang; Yao, Yuan-Gen","<i>catena</i>-Poly[[dichlorozinc(II)]-μ-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","4","m168","m169","10.1107/S0108270104003592","","","0.71073","MoKα","","","0.0599","","","0.1376","0.1528","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014030","14.366","0.005","5.545","0.002","15.53","0.006","90","","92.36","0.006","90","","1236.1","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-chlorobenzoato-2-aminopyridinesilver(I)","","- C24 H20 Ag2 Cl2 N4 O4 -","- C24 H20 Ag2 Cl2 N4 O4 -","- C48 H40 Ag4 Cl4 N8 O8 -","2","0.5","NA1642","Zhu, Hai-Liang; Qiu, Xiao-Yang; Yang, Song; Shao, Si-Chang; Ma, Ji-Long; Sun, Lin","Bis(μ-4-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>)bis[(2-aminopyridine-κ<i>N</i>)silver(I)]","Acta Crystallographica Section C","2004","60","4","m170","m171","10.1107/S0108270104003609","","","0.71073","MoKα","","0.0592","0.0353","","","0.0832","0.1106","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014031","5.678","0.002","8.424","0.003","12.404","0.005","100.17","0.03","93.85","0.03","107.96","0.04","550.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(phenylaminomethylidene)cyclohexane-1,3-dione","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","NA1643","Viktor Kettmann; Jan Lokaj; Viktor Milata; Milan Marko; Magdaléna Štvrtecká","2-(Phenylaminomethylidene)cyclohexane-1,3-dione","Acta Crystallographica Section C","2004","60","4","o252","o254","10.1107/S0108270104003610","","","0.71073","MoKα","","0.1176","0.0645","","","0.1615","0.199","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014032","7.4895","0.0006","9.7648","0.0008","10.1427","0.0008","87.661","0.001","69.497","0.001","82.771","0.001","689.26","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Diazabicyclo[2.2.2]octane-1,4-diium Trichromate","","- C6 H14 Cr3 N2 O10 -","- C6 H14 Cr3 N2 O10 -","- C12 H28 Cr6 N4 O20 -","2","1","NA1645","Cheng Rong Ding; Zhi Min Jin; Hai Bin Wang; Mao Lin Hu; He Lin","1,4-Diazabicyclo[2.2.2]octane-1,4-diium trichromate","Acta Crystallographica Section C","2004","60","5","m203","m204","10.1107/S0108270104004007","","","0.71073","MoKα","","0.0301","0.0293","","","0.0844","0.0851","","","","","","1.073","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014033","5.637","0.0004","8.71","0.0008","8.8431","0.0006","96.219","0.007","93.414","0.006","97.604","0.007","426.63","0.06","298","2","","","","","","","","","","4","P -1","-P 1","2","","N,N,N',N'-Tetramethyldiammonium‒succinate‒succinic acid (1/1/1)","","- C14 H28 N2 O8 -","- C14 H28 N2 O8 -","- C14 H28 N2 O8 -","1","0.5","NA1646","Bruno, Giuseppe; Rotondo, Archimede; De Luca, Lidia; Sammartano, Silvio; Nicoló, Francesco","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediammonium‒succinate‒succinic acid (1/1/1)","Acta Crystallographica Section C","2004","60","4","o287","o289","10.1107/S0108270104005785","","","0.71073","MoKα","","","0.0419","","","","0.1169","","","","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014034","7.7094","0.0006","22.404","0.002","12.696","0.0014","90","","93.751","0.007","90","","2188.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,4,6,6-Tetrachlorocyclo-2,2-(propylenedioxydi-o-phenylenediimino)- 2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine","","- C15 H16 Cl4 N5 O2 P3 -","- C15 H16 Cl4 N5 O2 P3 -","- C60 H64 Cl16 N20 O8 P12 -","4","1","NA1648","Tercan, Barış; Hökelek, Tuncer; Bilge, Selen; Özgüç, Bilgehan; Kılıç, Zeynel","4,4,6,6-Tetrachloro-2,2-(propylenedioxydi-<i>o</i>-phenylenediimino)-2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene","Acta Crystallographica Section C","2004","60","6","o381","o383","10.1107/S0108270104006894","","","0.71073","MoKα","","0.0738","0.0384","","","0.0966","0.1095","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014035","5.635","0.0014","8.2897","0.0018","17.382","0.004","90","","99.256","0.009","90","","801.4","0.3","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Isoleucyl-L-phenylalanine","","- C15 H26 N2 O5 -","- C15 H26 N2 O5 -","- C30 H52 N4 O10 -","2","1","NA1649","Görbitz, Carl Henrik","<small>L</small>-Isoleucyl-<small>L</small>-phenylalanine dihydrate","Acta Crystallographica Section C","2004","60","5","o371","o373","10.1107/S0108270104007255","","","0.71073","MoKα","","0.0641","0.0389","","","0.0745","0.0816","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014036","18.534","0.003","18.534","0.003","14.693","0.004","90","","90","","90","","5047.2","1.8","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","Tetrakis(pyridinium-2-thiolato)zinc(II) dinitrate","","- C20 H20 N6 O6 S4 Zn -","- C20 H20 N6 O6 S4 Zn -","- C160 H160 N48 O48 S32 Zn8 -","8","0.25","NA1653","Wen, Yi-Hang; Zhang, Jian; Cheng, Jian-Kai; Li, Zhao-Ji; Qin, Ye-Yan; Kang, Yao; Hu, Rui-Feng; Yao, Yuan-Gen","Tetrakis(pyridinium-2-thiolato)zinc(II) dinitrate","Acta Crystallographica Section C","2004","60","6","m248","m249","10.1107/S0108270104008042","","","0.71073","MoKα","","","0.0201","","","0.0545","0.0545","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014037","6.015","0.002","13.073","0.004","29.501","0.01","90","","91.441","0.007","90","","2319.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-2-[4-phenyl-6-(pyridinium-2-yl)pyridin-2-yl]pyridinium diperchlorate","","- C22 H19 Cl2 N3 O8 -","- C22 H19 Cl2 N3 O8 -","- C88 H76 Cl8 N12 O32 -","4","1","NA1654","Schulz, Burkhard; Bricks, Julia; Li, Yan-Qin; Resch-Genger, Ute; Reck, Günter","Monoalkylated 4'-aryl-substituted terpyridines","Acta Crystallographica Section C","2004","60","6","o402","o404","10.1107/S010827010400825X","","","0.71073","MoKα","","0.0852","0.0542","","","0.163","0.1743","","","","","","0.985","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014038","13.854","0.004","13.448","0.004","12.141","0.004","90","","111.146","0.005","90","","2109.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[4-(methoxyphenyl)-2,2'-bipyridin-6-yl]-1-methylpyridinium iodide","","- C23 H20 I N3 O -","- C23 H20 I N3 O -","- C92 H80 I4 N12 O4 -","4","1","NA1654","Schulz, Burkhard; Bricks, Julia; Li, Yan-Qin; Resch-Genger, Ute; Reck, Günter","Monoalkylated 4'-aryl-substituted terpyridines","Acta Crystallographica Section C","2004","60","6","o402","o404","10.1107/S010827010400825X","","","0.71073","MoKα","","0.0418","0.0376","","","0.1218","0.1243","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014039","7.272","0.001","23.07","0.005","10.753","0.002","90","","106.82","0.03","90","","1726.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,6-Diaminohexanesilver(I) cinnamate dihydrate","","- C15 H27 Ag N2 O4 -","- C15 H27 Ag N2 O4 -","- C60 H108 Ag4 N8 O16 -","4","1","NA1655","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","<i>catena</i>-Poly[[silver(I)-μ-hexane-1,6-diamine-κ^2^<i>N</i>:<i>N</i>'] cinnamate dihydrate]","Acta Crystallographica Section C","2004","60","6","m231","m232","10.1107/S0108270104007802","","","0.71073","MoKα","","0.0633","0.0486","","","0.0916","0.0965","","","","","","1.13","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014040","9.441","0.006","9.805","0.006","13.936","0.009","102.385","0.011","98.58","0.012","101.351","0.011","1210.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","catena-Poly[[silver(I)-μ~3~-2,2'-[o-phenylenebis(methylenethio)]dianiline- κ^4^N:S,S':N'] nitrate chloroform solvate]","","- C21 H21 Ag Cl3 N3 O3 S2 -","- C21 H21 Ag Cl3 N3 O3 S2 -","- C42 H42 Ag2 Cl6 N6 O6 S4 -","2","1","NA1660","Zheng, Yan; Wang, Shu-Li","<i>catena</i>-Poly[[silver(I)-μ~3~-2,2'-[<i>o</i>-phenylenebis(methylenethio)]dianiline-κ^4^<i>N</i>:<i>S</i>,<i>S</i>':<i>N</i>'] nitrate chloroform solvate]","Acta Crystallographica Section C","2004","60","6","m278","m279","10.1107/S0108270104009473","","","0.71073","MoKα","","0.1042","0.0528","","","","0.1522","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014041","30.344","0.003","3.6676","0.0003","19.1508","0.0017","90","","107.578","0.001","90","","2031.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(μ-1,10-phenanthrolin-2-olato-κ^3^N,N',O)dicopper(I) monohydrate","","- C24 H16 Cu2 N4 O3 -","- C24 H14 Cu2 N4 O3 -","- C96 H56 Cu8 N16 O12 -","4","0.5","NA1661","Lu, Li-Ping; Feng, Si-Si; Zhang, Hong-Mei; Zhu, Miao-Li","Bis(μ-1,10-phenanthrolin-2-olato-κ^3^<i>N</i>,<i>N</i>':<i>O</i>)dicopper(I)(<i>Cu{—</i>Cu}) monohydrate","Acta Crystallographica Section C","2004","60","6","m283","m284","10.1107/S0108270104010078","","","0.71073","MoKα","","0.0693","0.0613","","","0.1919","0.1976","","","","","","1.135","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014042","8.7393","0.0009","8.9284","0.0009","15.9117","0.0017","90","","90","","90","","1241.6","0.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,3,10,10-Tetramethyl-1,2-dithia-5,8-diazacyclodeca-4,8-diene","","- C10 H18 N2 S2 -","- C10 H18 N2 S2 -","- C40 H72 N8 S8 -","4","1","OB1167","Jem-Mau Lo; Golam Mostafa; Ling-Yin Chang; Fen-Ling Liao; Tian-Huey Lu","3,3,10,10-Tetramethyl-1,2-dithia-5,8-diazacyclodeca-4,8-diene","Acta Crystallographica Section C","2004","60","4","o276","o277","10.1107/S0108270104004688","","","0.71073","MoKα","","0.076","0.0349","","","0.0688","0.0836","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014043","13.145","0.005","13.333","0.004","14.332","0.004","90","","90","","90","","2511.9","1.4","297.2","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C14 H36 Cl2 Cu N4 O10 -","- C14 H36 Cl2 Cu N4 O10 -","- C56 H144 Cl8 Cu4 N16 O40 -","4","0.25","OB1168","Akitsu, Takashiro; Einaga, Yasuaki","Bis(acetone-κ<i>O</i>)bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) diperchlorate","Acta Crystallographica Section C","2004","60","4","m162","m164","10.1107/S010827010400349X","","","0.7107","MoKα","","","0.0554","","","","0.1799","","","","","","1.081","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014044","8.6247","0.0012","14.7854","0.001","16.6181","0.0014","90","","99.352","0.012","90","","2091","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,14-Dioxa-5,10-diaza-2,3:12,13-dibenzocyclooctadeca-2,12-diene monohydrate","","- C22 H32 N2 O3 -","- C22 H32 N2 O3 -","- C88 H128 N8 O12 -","4","1","OB1170","Hökelek, Tuncer; Kaya, Elif Ece; Kılıç, Zeynel","1,14-Dioxa-5,10-diaza-2,3:12,13-dibenzocyclooctadeca-2,12-diene monohydrate","Acta Crystallographica Section C","2004","60","4","o278","o280","10.1107/S0108270104004949","","","0.71073","MoKα","","0.1294","0.0502","","","0.1264","0.1575","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014045","14.759","0.003","17.829","0.004","15.736","0.004","90","","92.669","0.012","90","","4136.3","1.6","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Azido[1,1'- bis(diphenylphosphino)ferrocene](pentamethylcyclopentadienyl)rhodium(III) hexafluorophosphate","Azido-2κN-bis[μ-(1η^5^:2κP)-diphenylphosphinocyclopentadienyl][2(η^5^)- pentamethylcyclopentadienyl]iron(III)rhodium(III) hexafluorophosphate","","- C44 H43 F6 Fe N3 P3 Rh -","- C44 H43 F6 Fe N3 P3 Rh -","- C176 H172 F24 Fe4 N12 P12 Rh4 -","4","1","OB1171","Han, Won Seok; Lee, Soon W.","Azido[1,1'-bis(diphenylphosphino)ferrocene](pentamethylcyclopentadienyl)rhodium(III) hexafluorophosphate","Acta Crystallographica Section C","2004","60","4","m189","m190","10.1107/S0108270104004779","","","0.71073","MoKα","","0.1448","0.0645","","","0.1255","0.1588","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014046","9.2663","0.0005","7.0716","0.0004","15.461","0.001","90","","90.194","0.002","90","","1013.12","0.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Amino-3-hydroxy-4-phenylthiazolium chloride","","- C9 H9 Cl N2 O S -","- C9 H9 Cl N2 O S -","- C36 H36 Cl4 N8 O4 S4 -","4","1","OB1172","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Amino-3-hydroxy-4-phenylthiazolium chloride: π-stacked hydrogen-bonded chains of edge-fused <i>R</i>_<b>4</b>^<b>2</b>(11) rings","Acta Crystallographica Section C","2004","60","4","o273","o275","10.1107/S0108270104004780","","","0.71073","MoKα","","0.0638","0.0448","","","0.1089","0.1192","","","","","","1.035","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014047","11.906","0.0001","14.795","0.0006","18.6611","0.0007","90","","97.057","0.002","90","","3262.24","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Pentaethylenehexamine manganese(II) pentaborate","","- C10 H36 B10 Mn N6 O20 -","- C10 H36 B10 Mn N6 O20 -","- C40 H144 B40 Mn4 N24 O80 -","4","0.5","OB1173","Hong-Xia Zhang; Shou-Tian Zheng; Guo-Yu Yang","Pentaethylenehexaminemanganese(II) pentaborate","Acta Crystallographica Section C","2004","60","6","m241","m243","10.1107/S0108270104007942","","","0.71073","MoKα","","0.1469","0.0764","","","0.1208","0.15","","","","","","1.192","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014048","6.9909","0.0014","11.719","0.002","11.2519","0.0016","90","","96.909","0.009","90","","915.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[iron(II)-di-μ-imidazole-4,5-dicarboxylato-κ^3^N^3^,O^4^:O^5^]","","- C10 H6 Fe N4 O8 -","- C10 H6 Fe N4 O8 -","- C20 H12 Fe2 N8 O16 -","2","0.5","OB1176","Xu, Ying; Wang, Rui-Hu; Lou, Ben-Yong; Han, Lei; Hong, Mao-Chun","Poly[iron(II)-di-μ-imidazole-4,5-dicarboxylato-κ^3^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^5^]","Acta Crystallographica Section C","2004","60","6","m296","m298","10.1107/S0108270104009813","","","0.71073","MoKα","","0.0546","0.0494","","","0.1714","0.1775","","","","","","1.177","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014049","10.412","0.002","8.996","0.002","10.836","0.002","90","","105.94","0.01","90","","975.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Potassium gadolinium polyphosphate","","- Gd K O12 P4 -","- Gd K O12 P4 -","- Gd4 K4 O48 P16 -","4","1","SK1694","Rekik, Walid; Naïli, Houcine; Mhiri, Tahar","Potassium gadolinium polyphosphate, KGd(PO~3~)~4~","Acta Crystallographica Section C","2004","60","4","i50","i52","10.1107/S0108270104004603","","","0.71073","MoKα","","0.0183","0.0176","","","0.0455","0.0458","","","","","","1.239","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014050","15.3979","0.0003","10.3781","0.0002","11.8825","0.0003","90","","109.979","0.0008","90","","1784.56","0.07","160","1","160","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(P,M)-1,2,3,9,10,11-hexamethoxy-5,7-dihydrodibenz[c,e]oxepine","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","0.5","SK1701","Linden, Anthony; Furegati, Markus; Rippert, Andreas J.","(<i>P</i>,<i>M</i>)-1,2,3,9,10,11-Hexamethoxy-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine and (<i>P</i>,<i>M</i>)-1,11-dimethyl-5,5,7,7-tetraphenyl-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine","Acta Crystallographica Section C","2004","60","4","o223","o225","10.1107/S010827010400294X","","","0.71073","MoKα","","0.0652","0.0442","","","0.1179","0.1297","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014051","16.6918","0.0004","9.6863","0.0003","17.5921","0.0005","90","","90","","90","","2844.32","0.14","160","1","160","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","(P,M)-1,11-dimethyl-5,5,7,7-tetraphenyl-5,7-dihydrodibenz[c,e]oxepine","","- C40 H32 O -","- C40 H32 O -","- C160 H128 O4 -","4","0.5","SK1701","Linden, Anthony; Furegati, Markus; Rippert, Andreas J.","(<i>P</i>,<i>M</i>)-1,2,3,9,10,11-Hexamethoxy-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine and (<i>P</i>,<i>M</i>)-1,11-dimethyl-5,5,7,7-tetraphenyl-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine","Acta Crystallographica Section C","2004","60","4","o223","o225","10.1107/S010827010400294X","","","0.71073","MoKα","","0.0634","0.0454","","","0.1149","0.1285","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014052","19.308","0.003","6.0911","0.0011","16.109","0.003","90","","113.405","0.003","90","","1738.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-{4-[(2-pyridylideneamino)sulfonyl]phenyldiazenyl}salicylic acid","","- C18 H14 N4 O5 S -","- C18 H14 N4 O5 S -","- C72 H56 N16 O20 S4 -","4","1","SK1702","Blake, Alexander J.; Lin, Xiang; Schröder, Martin; Wilson, Claire; Yuan, Rong-Xin","The imide tautomer of sulfasalazine","Acta Crystallographica Section C","2004","60","4","o226","o228","10.1107/S0108270104003026","","","0.71073","MoKα","","0.104","0.0665","","","0.166","0.195","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014053","9.3723","0.0002","9.4254","0.0002","12.308","0.0003","89.7146","0.0012","68.5508","0.0011","77.0903","0.001","982.85","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(E)-1-(2-Hydroxyphenyl)propan-2-one O-methyloxime","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","2","SK1704","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","(<i>E</i>)-1-(2-Hydroxyphenyl)propan-2-one <i>O</i>-methyloxime forms hydrogen-bonded chains of edge-fused <i>R</i>f̱{_4^4}(16) and <i>R</i>f̱{_4^4}(24) rings","Acta Crystallographica Section C","2004","60","4","o245","o247","10.1107/S0108270104003737","","","0.71073","MoKα","","0.0692","0.0508","","","0.1356","0.1543","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014054","8.7337","0.0009","19.8208","0.0014","13.6271","0.0015","90","","99.059","0.013","90","","2329.5","0.4","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5-Dicarbethoxy-3,4-dihydroxythiophene","diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate","","- C10 H12 O6 S -","- C10 H12 O6 S -","- C80 H96 O48 S8 -","8","2","SK1705","Faulmann, Christophe; Pullen, Anthony E.","A substituted EDOT precursor: diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate","Acta Crystallographica Section C","2004","60","5","o338","o340","10.1107/S0108270104006754","","","0.71073","MoKα","","0.06","0.0346","","","0.0659","0.072","","","","","","0.935","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014055","15.01","0.0005","14.7055","0.0006","22.6909","0.0006","90","","91.571","0.002","90","","5006.7","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","μ-ethane-1,2-diylbis(diphenylphosphine oxide)-κ^2^O:O'- bis[dibenzyldichlorotin(IV)]","","- C54 H52 Cl4 O2 P2 Sn2 -","- C54 H52 Cl4 O2 P2 Sn2 -","- C216 H208 Cl16 O8 P8 Sn8 -","4","0.5","SK1706","Mohamed, E. Mothi; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","μ-Ethane-1,2-diylbis(diphenylphosphine oxide)-κ^2^<i>O</i>:<i>O</i>'-bis[dibenzyldichlorotin(IV)]: a centrosymmetric complex containing trigonal-bipyramidal tin(IV), linked into chains of rings by C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","4","m172","m173","10.1107/S0108270104003981","","","0.71073","MoKα","","0.0841","0.0399","","","0.0718","0.083","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014056","5.9856","0.0003","18.1464","0.0009","10.7139","0.0004","90","","98.457","0.003","90","","1151.06","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,8,8-Trimethyl-6,7,8,9-tetrahydropyrazolo[2,3-a]quinazolin-6-one","","- C13 H15 N3 O -","- C13 H15 N3 O -","- C52 H60 N12 O4 -","4","1","SK1707","Low, John N.; Cobo, Justo; Mera, Jaime; Quiroga, Jairo; Glidewell, Christopher","Molecular conformation and supramolecular aggregation in two fused pyrazoles: π-stacked <i>R</i>_<b>2</b>^<b>2</b>(6) dimers in 2,8,8-trimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-one, and sheets of alternating <i>R</i>_2^2(12) and <i>R</i>_6^6(48) rings in 3-<i>tert</i>-butyl-4',4'-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","Acta Crystallographica Section C","2004","60","4","o265","o269","10.1107/S0108270104004159","","","0.71073","MoKα","","0.0574","0.0428","","","0.105","0.1138","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014057","10.0469","0.0002","16.4547","0.0004","12.7983","0.0002","90","","108.495","0.0012","90","","2006.52","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-tert-Butyl-4',4'-dimethyl-1-phenyl-4,5,6,7-tetrahydro- 1H-pyrazolo[3,4-b]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","","- C23 H29 N3 O2 -","- C23 H29 N3 O2 -","- C92 H116 N12 O8 -","4","1","SK1707","Low, John N.; Cobo, Justo; Mera, Jaime; Quiroga, Jairo; Glidewell, Christopher","Molecular conformation and supramolecular aggregation in two fused pyrazoles: π-stacked <i>R</i>_<b>2</b>^<b>2</b>(6) dimers in 2,8,8-trimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-one, and sheets of alternating <i>R</i>_2^2(12) and <i>R</i>_6^6(48) rings in 3-<i>tert</i>-butyl-4',4'-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione","Acta Crystallographica Section C","2004","60","4","o265","o269","10.1107/S0108270104004159","","","0.71073","MoKα","","0.0701","0.0421","","","0.1047","0.1237","","","","","","1.033","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014058","7.287","0.002","7.962","0.003","9.583","0.003","75.643","0.004","76.678","0.004","89.697","0.004","523.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","catena-Poly[[bis(1H-benzotriazole-κN^3^)cobalt(II)]-di-μ-tricyanomethanido- κ^2^N:N']","","- C20 H10 Co N12 -","- C20 H10 Co N12 -","- C20 H10 Co N12 -","1","0.5","SK1708","Ze-Huai, Shao; Jun, Luo; Rui-Fang, Cai; Xi-Geng, Zhou; Lin-Hong, Weng; Zhen-Xia, Chen","<i>catena</i>-Poly[[bis(1<i>H</i>-benzotriazole-κ<i>N</i>^3^)cobalt(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>'] and <i>catena</i>-poly[[bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","6","m250","m253","10.1107/S0108270104008406","","","0.71073","MoKα","","0.0524","0.0514","","","0.1294","0.1307","","","","","","1.052","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014059","16.107","0.009","7.547","0.004","17.437","0.01","90","","90","","90","","2120","2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-poly[[bis(3,5-dimethyl-1H-pyrazole-κN^2^)manganese(II)-di-μ- tricyanomethanido-κ^2^N:N']","","- C18 H16 Mn N10 -","- C18 H16 Mn N10 -","- C72 H64 Mn4 N40 -","4","0.5","SK1708","Ze-Huai, Shao; Jun, Luo; Rui-Fang, Cai; Xi-Geng, Zhou; Lin-Hong, Weng; Zhen-Xia, Chen","<i>catena</i>-Poly[[bis(1<i>H</i>-benzotriazole-κ<i>N</i>^3^)cobalt(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>'] and <i>catena</i>-poly[[bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","6","m250","m253","10.1107/S0108270104008406","","","0.71073","MoKα","","0.0578","0.035","","","0.0782","0.0861","","","","","","0.938","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014060","8.5855","0.0003","6.6129","0.0002","22.0221","0.0008","90","","91.833","0.0017","90","","1249.67","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Nitrophenoxyacetanilide","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","SK1709","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-Nitrophenoxyacetanilide: a chain of rings generated by C—H···O hydrogen bonds","Acta Crystallographica Section C","2004","60","4","o290","o292","10.1107/S010827010400513X","","","0.71073","MoKα","","0.0664","0.04","","","0.0972","0.108","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014061","7.4094","0.0009","14.5472","0.0016","12.8512","0.0019","90","","97.757","0.011","90","","1372.5","0.3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[[di-μ-azido-κ^4^N^1^:N^1^-bis[[bis(3-aminopropyl)methylamine- κ^3^N]copper(II)]]-μ-cyano-[dicyanonickel(II)]-μ-cyano]","","- C18 H38 Cu2 N16 Ni -","- C18 H38 Cu2 N16 Ni -","- C36 H76 Cu4 N32 Ni2 -","2","0.5","SK1710","Ghoshal, Debajyoti; Maji, Tapas Kumar; Rosair, Georgina; Mostafa, Golam","A heterometallic polymeric complex: [Cu~2~(N~3~)~2~(medpt)~2~{Ni(CN)~4~}]~<i>n~</i> [medpt is bis(3-aminopropyl)methylamine]","Acta Crystallographica Section C","2004","60","5","m212","m214","10.1107/S0108270104007152","","","0.71073","MoKα","","0.0632","0.0426","","","0.1041","0.1152","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014062","7.2644","0.0004","7.8657","0.0003","10.1522","0.0005","90","","103.19","0.002","90","","564.79","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine","","- C12 H17 N S -","- C12 H17 N S -","- C24 H34 N2 S2 -","2","1","SK1712","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","(<i>R</i>)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine and <i>rac</i>-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine: chains built from N—H···S and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","5","o346","o349","10.1107/S0108270104006857","","","0.71073","MoKα","","0.0318","0.0292","","","0.0688","0.07","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014063","16.1757","0.0002","12.5444","0.0003","8.2147","0.0002","90","","90","","90","","1666.88","0.06","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","rac-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine","","- C19 H21 N O S -","- C19 H21 N O S -","- C76 H84 N4 O4 S4 -","4","1","SK1712","Muthukumar, Manivannan; Thanikasalam, Kanagasabapathy; Mohamed, E. Mothi; Low, John N.; Glidewell, Christopher","(<i>R</i>)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine and <i>rac</i>-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine: chains built from N—H···S and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","5","o346","o349","10.1107/S0108270104006857","","","0.71073","MoKα","","0.0528","0.0453","","","0.119","0.1297","","","","","","1.257","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014064","6.8086","0.0001","10.5682","0.0003","32.5223","0.0007","80.7761","0.0009","87.7492","0.0013","74.1122","0.0011","2221.61","0.09","160","2","160","2","","","","","","","","5","P 1","P 1","1","","2'-(4-Fluorophenyl)-[1,2,3]triazolo[4',5':16,17]androst-5-en-3β-ol methanol hemisolvate","","- C25.5 H32 F N3 O1.5 -","- C25.5 H32 F N3 O1.5 -","- C102 H128 F4 N12 O6 -","4","4","SK1714","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D. P.; Linden, Anthony","2'-(4-Fluorophenyl)-[1,2,3]triazolo[4',5':16,17]androst-5-en-3β-ol methanol hemisolvate","Acta Crystallographica Section C","2004","60","6","o405","o407","10.1107/S0108270104008455","","","0.71073","MoKα","","0.0623","0.0417","","","0.0825","0.0927","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014065","9.6349","0.0003","22.5791","0.0007","9.1895","0.0004","90","","91.253","0.002","90","","1998.67","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Bis[(4-methylphenyl)sulfanyl]-4H-1-benzothiopyran-4-one 1,1-dioxide","","- C23 H18 O3 S3 -","- C23 H18 O3 S3 -","- C92 H72 O12 S12 -","4","1","SK1715","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2,3-Bis[(4-methylphenyl)sulfanyl]-4<i>H</i>-1-benzothiopyran-4-one 1,1-dioxide forms a framework built from C—H···O, C—H···π(arene) and π‒π interactions","Acta Crystallographica Section C","2004","60","5","o350","o352","10.1107/S0108270104006286","","","0.71073","MoKα","","0.0859","0.044","","","0.0945","0.1071","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014066","5.2539","0.0002","16.209","0.0008","26.5417","0.0009","84.85","0.002","88.951","0.002","87.607","0.002","2248.97","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-Phenoxybenzenesulfonamide","","- C12 H11 N O3 S -","- C12 H11 N O3 S -","- C96 H88 N8 O24 S8 -","8","4","SK1716","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Monoclinic pseudosymmetry in 2-phenoxybenzenesulfonamide, a triclinic structure having <i>Z</i>' = 4, and spontaneous resolution in monoclinic <i>N</i>-methyl-2-phenoxybenzenesulfonamide","Acta Crystallographica Section C","2004","60","5","o364","o367","10.1107/S010827010400719X","","","0.71073","MoKα","","0.1446","0.0655","","","0.1753","0.2027","","","","","","1.054","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014067","5.3804","0.0002","7.9959","0.0004","14.4462","0.0007","90","","95.226","0.002","90","","618.91","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-methyl-2-phenoxybenzenesulfonamide","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C26 H26 N2 O6 S2 -","2","1","SK1716","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Monoclinic pseudosymmetry in 2-phenoxybenzenesulfonamide, a triclinic structure having <i>Z</i>' = 4, and spontaneous resolution in monoclinic <i>N</i>-methyl-2-phenoxybenzenesulfonamide","Acta Crystallographica Section C","2004","60","5","o364","o367","10.1107/S010827010400719X","","","0.71073","MoKα","","0.0588","0.055","","","0.1411","0.1447","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014068","9.6413","0.0011","17.3888","0.0011","15.8778","0.0011","90","","95.373","0.008","90","","2650.2","0.4","300","1","300","1","","","","","","","","5","P 1 21 1","P 2yb","4","","(3aS,7aS)-1-{2-Oxo-1,3-bis[(S)-1-phenylethyl]perhydro-1,3,2λ^5^- benzodiazaphosphol-2-yl]-1-phenylmethanol:","","- C29 H35 N2 O2 P -","- C29 H35 N2 O2 P -","- C116 H140 N8 O8 P4 -","4","2","SK1717","Moreno, Gloria E.; Quintero, Leticia; Bernès, Sylvain; Anaya de Parrodi, Cecilia","(3a<i>S</i>,7a<i>S</i>)-1-{2-Oxo-1,3-bis[(<i>S</i>)-1-phenylethyl]perhydro-1,3,2λ^5^-benzodiazaphosphol-2-yl}-1-phenylmethanol: a mixture of diastereoisomers in a disordered crystal","Acta Crystallographica Section C","2004","60","6","o411","o414","10.1107/S0108270104008492","","","0.71073","MoKα","","0.0702","0.0466","","","0.1182","0.1293","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014069","22.077","0.003","5.9332","0.0009","7.956","0.0008","90","","94.76","0.01","90","","1038.5","0.2","298","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C40 H52 N4 O12 -","4","1","SK1718","Ohba, Shigeru; Ito, Yoshikatsu","Ammonium 4-methoxycinnamate","Acta Crystallographica Section C","2004","60","6","o393","o394","10.1107/S0108270104008261","","","0.7107","MoKα","","","0.0469","","","","0.1486","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014070","7.8495","0.0006","14.0847","0.0015","17.2325","0.0018","113.187","0.004","98.515","0.006","96.4","0.007","1701.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Nitrophenoxy)benzoic acid","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C78 H54 N6 O30 -","6","3","SK1719","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","2-(4-Nitrophenoxy)benzoic acid: a three-dimensional hydrogen-bonded framework in a triclinic structure having <i>Z</i>' = 3","Acta Crystallographica Section C","2004","60","5","o361","o363","10.1107/S0108270104007036","","","0.71073","MoKα","","0.2344","0.0596","","","0.104","0.1488","","","","","","0.869","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014071","7.899","0.0003","10.0386","0.0003","10.05","0.0003","74.938","0.002","84.271","0.002","81.842","0.002","760.1","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4',4'-Dimethyl-2-methylsulfanyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine- 6-spiro-1'-cyclohexane-2',4,6'-trione","","- C15 H19 N3 O3 S -","- C15 H19 N3 O3 S -","- C30 H38 N6 O6 S2 -","2","1","SK1722","Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher","Three hexahydropyridopyrimidine-spiro-cyclohexanetriones: supramolecular structures generated by O—H···O, N—H···O, C—H···O and C—H···π hydrogen bonds, and π‒π stacking interactions","Acta Crystallographica Section C","2004","60","6","o438","o443","10.1107/S0108270104009539","","","0.71073","MoKα","","0.0582","0.0457","","","0.1179","0.1253","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014072","6.6682","0.0002","11.0319","0.0003","12.3449","0.0004","109.268","0.0018","99.8329","0.0018","101.227","0.002","813.32","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","8-Hydroxymethyl-4',4'-dimethyl-2-methylsulfanyl-3,4,5,6,7,8- hexahydropyrido[2,3-d]pyrimidine-6-spiro-1'-cyclohexane-2',4,6'-trione","","- C16 H21 N3 O4 S -","- C16 H21 N3 O4 S -","- C32 H42 N6 O8 S2 -","2","1","SK1722","Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher","Three hexahydropyridopyrimidine-spiro-cyclohexanetriones: supramolecular structures generated by O—H···O, N—H···O, C—H···O and C—H···π hydrogen bonds, and π‒π stacking interactions","Acta Crystallographica Section C","2004","60","6","o438","o443","10.1107/S0108270104009539","","","0.71073","MoKα","","0.0883","0.0514","","","0.1227","0.14","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014073","8.9219","0.0005","9.9806","0.0005","11.3542","0.0007","75.662","0.003","85.58","0.003","66.526","0.003","898.22","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","8-Ethoxymethyl-4',4'-dimethyl-2-methoxy-3,4,5,6,7,8- hexahydropyrido[2,3-d]pyrimidine-6-spiro-1'-cyclohexane-2',4,6'-trione","","- C18 H25 N3 O5 -","- C18 H25 N3 O5 -","- C36 H50 N6 O10 -","2","1","SK1722","Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher","Three hexahydropyridopyrimidine-spiro-cyclohexanetriones: supramolecular structures generated by O—H···O, N—H···O, C—H···O and C—H···π hydrogen bonds, and π‒π stacking interactions","Acta Crystallographica Section C","2004","60","6","o438","o443","10.1107/S0108270104009539","","","0.71073","MoKα","","0.1493","0.0559","","","0.1207","0.164","","","","","","0.952","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014074","10.538","0.002","16.214","0.003","7.1988","0.0014","90","","95.85","0.03","90","","1223.6","0.4","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N6 O4 -","- C8 H16 N6 O4 -","- C32 H64 N24 O16 -","4","1","SQ1149","Choi, Chan Soo; Venkatraman, Ramaiyer; Kim, Eun Hee; Hwang, Hae Sook; Kang, Sung Kwon","Cocrystallization of melaminium levulinate monohydrate","Acta Crystallographica Section C","2004","60","4","o295","o296","10.1107/S0108270104005207","","","0.71073","MoKα","","","0.048","","","","0.1374","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014075","5.0127","0.0008","6.032","0.0009","21.79","0.003","90","","90","","90","","658.86","0.17","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-isocyano-4-nitrobenzene","p-Nitrophenyl isocyanide","","- C7 H4 N2 O2 -","- C7 H4 N2 O2 -","- C28 H16 N8 O8 -","4","1","SQ1151","Zeller, Matthias; Hunter, Allen D.","<i>p</i>-Nitrophenyl isocyanide","Acta Crystallographica Section C","2004","60","6","o415","o417","10.1107/S0108270104007115","","","0.71073","MoKα","","0.0308","0.0301","","","0.0801","0.0808","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014076","11.1738","0.0009","8.2212","0.0007","12.1466","0.001","90","","116.224","0.002","90","","1000.96","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Polymeric (μ~2~-nitrato-κ^2^O:O')(μ~2~-nitrato-κ^2^O:O)(μ~4~-pyridinium-4- thiolato-κ^4^S:S:S:S)disilver(I)(Ag—Ag)","","- C5 H5 Ag2 N3 O6 S -","- C5 H5 Ag2 N3 O6 S -","- C20 H20 Ag8 N12 O24 S4 -","4","1","SQ1154","Yu-Biao Chen; Yao Kang; Ye-Yan Qin; Zhao-Ji Li; Jian-Kai Cheng; Yuan-Gen Yao","Polymeric (μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>)(μ~4~-pyridinium-4-thiolato-κ^4^<i>S</i>:<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)","Acta Crystallographica Section C","2004","60","6","m263","m265","10.1107/S0108270104006936","","","0.71073","MoKα","","","0.0428","","","0.0994","0.1082","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014077","9.522","0.003","12.707","0.004","10.757","0.003","90","","99.418","0.006","90","","1284","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2-aminomethyl-1H-benzimidazole-κ^2^N^2^,N^3^)dithiocyanatocopper(II)","","- C10 H9 Cu N5 S2 -","- C10 H9 Cu N5 S2 -","- C40 H36 Cu4 N20 S8 -","4","1","SQ1155","Jiang, Yun-Bo; Kou, Hui-Zhong; Gao, Fei; Wang, Ru-Ji","A novel thiocyanate-bridged one-dimensional chain complex: [Cu(NCS)~2~(Hambi)] (Hambi is 2-aminomethyl-1<i>H</i>-benzimidazole)","Acta Crystallographica Section C","2004","60","6","m261","m262","10.1107/S0108270104009102","","","0.71073","MoKα","","0.0985","0.0493","","","0.0757","0.0849","","","","","","0.922","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014078","5.6432","0.0003","14.5521","0.0008","20.9417","0.0012","90","","96.799","0.007","90","","1707.65","0.17","173","2","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","SX1129","Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Grabowski, Sławomir J.; Epsztajn, Jan; Kowalska, Justyna A.","Isochroman derivatives and their tendency to crystallize in chiral space groups","Acta Crystallographica Section C","2004","60","4","o239","o241","10.1107/S0108270104003087","","","0.71073","MoKα","","","0.0328","","","","0.0883","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014079","6.4796","0.0004","17.968","0.0009","16.0587","0.0009","90","","90","","90","","1869.64","0.18","173","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","SX1129","Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Grabowski, Sławomir J.; Epsztajn, Jan; Kowalska, Justyna A.","Isochroman derivatives and their tendency to crystallize in chiral space groups","Acta Crystallographica Section C","2004","60","4","o239","o241","10.1107/S0108270104003087","","","0.71073","MoKα","","","0.0282","","","","0.0681","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014080","7.497","0.001","13.93","0.002","14.282","0.002","90","","90","","90","","1491.5","0.4","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","bergenin water solvate","4-methoxy-2-[tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl) pyran-2-yl]-α-resorcylic acid δ-lactone monohydrate","","- C14 H18 O10 -","- C14 H18 O10 -","- C56 H72 O40 -","4","1","SX1134","Ye, Yi-Ping; Sun, Hong-Xiang; Pan, Yuan-Jiang","Bergenin monohydrate from the rhizomae of <i>Astilbe chinensis</i>","Acta Crystallographica Section C","2004","60","6","o397","o398","10.1107/S0108270104008364","","","0.71073","MoKα","","0.0502","0.0364","","","0.084","0.0875","","","","","","0.956","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014081","11.1357","0.0017","11.8679","0.0014","12.3278","0.0019","90","","90","","90","","1629.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","nickel(II) (-)-sparteine dichloride","dichloro[(-)-sparteine-N,N']nickel(II)","","- C15 H26 Cl2 N2 Ni -","- C15 H26 Cl2 N2 Ni -","- C60 H104 Cl8 N8 Ni4 -","4","1","TA1437","Kang, Sung Kwon; Choi, Sung-Nak; Lee, Yong-Min","Dichloro[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>S</i>)-(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']nickel(II)","Acta Crystallographica Section C","2004","60","4","m174","m176","10.1107/S0108270104004494","","","0.71073","MoKα","","0.0841","0.0552","","","0.1174","0.1297","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014082","19.854","0.002","9.8278","0.0011","22.198","0.002","90","","109.006","0.01","90","","4095.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-methylpiridinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1H-pyrrol-2-olate","","- C14 H9 N5 O2 -","- C14 H9 N5 O2 -","- C168 H108 N60 O24 -","12","3","TA1438","Tafeenko, Viktor A.; Nikolaev, Aleksander N.; Peschar, Rene; Kaukova, Olga V.; Schenk, Henk; Aslanov, Leonid A.","<i>N</i>-Methylpyridinium 3-cyano-4-(dicyanomethylene)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate","Acta Crystallographica Section C","2004","60","4","o297","o299","10.1107/S0108270104005372","","","1.5418","CuKα","","0.1066","0.0567","","","0.1268","0.1525","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014083","19.309","0.004","6.421","0.0013","13.735","0.003","90","","113.2","0.03","90","","1565.2","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-tert-butoxycarbonyl-2-phenylpyrrolidine-2-carboxylic acid","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","TR1074","Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Martirosyan, Vahan; Harutyunyan, Gohar; Gasparyan, Sahak","1,2,5-Substituted derivatives of 2-phenylpyrrolidine","Acta Crystallographica Section C","2004","60","6","o390","o392","10.1107/S0108270104007930","","","0.71073","MoKα","","0.0679","0.0409","","","0.0873","0.0976","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2014084","8.8302","0.0018","10.077","0.002","10.094","0.002","99.74","0.03","92.53","0.03","111.39","0.03","818.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-ammoniomethyl-1-benzyl-5-oxo-2-phenylpyrrolidine chloride","","- C18 H21 Cl N2 O -","- C18 H21 Cl N2 O -","- C36 H42 Cl2 N4 O2 -","2","1","TR1074","Tamazyan, Rafael; Karapetyan, Harutyun; Martirisyan, Ashot; Martirosyan, Vahan; Harutyunyan, Gohar; Gasparyan, Sahak","1,2,5-Substituted derivatives of 2-phenylpyrrolidine","Acta Crystallographica Section C","2004","60","6","o390","o392","10.1107/S0108270104007930","","","0.71073","MoKα","","0.0471","0.0369","","","0.1007","0.1069","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014085","7.646","0.003","8.69","0.003","9.266","0.003","95.43","0.005","105.054","0.006","100.884","0.005","577.1","0.4","193.15","0.02","193","2","","","","","","","","4","P -1","-P 1","2","","catena-Poly[[bis[μ-1,1'-ethane-1,2-diylbis(1,2,4-triazole)- κ^2^N^4^:N^4'^]bis[azidozinc(II)]]-di-μ-azido-κ^4^N^1^:N^1^]","","- C12 H16 N24 Zn2 -","- C12 H16 N24 Zn2 -","- C12 H16 N24 Zn2 -","1","0.5","TR1078","Xia Zhu; Baozong Li; Junhui Zhou; Baolong Li; Zhang Yong","The infinite one-dimensional chain polymer <i>catena</i>-poly[[bis[μ-1,1'-ethane-1,2-diylbis(1,2,4-triazole)-κ^2^<i>N</i>^4^:<i>N</i>^4'^]bis[azidozinc(II)]]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1^]","Acta Crystallographica Section C","2004","60","4","m191","m193","10.1107/S0108270104005542","","","0.71073","MoKα","","0.0275","0.0254","","","0.0619","0.0629","","","","","","1.06","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2014086","9.616","0.005","10.395","0.005","12.477","0.005","86.112","0.005","83.778","0.005","88.08","0.005","1236.5","1","293","2","","","","","","","","","","5","P -1","-P 1","2","","cis-Diphenylbis(1,3,5-triaza-7-phosphaadamantane-κP)platinum(II)","","- C24 H34 N6 P2 Pt -","- C24 H34 N6 P2 Pt -","- C48 H68 N12 P4 Pt2 -","2","1","TR1089","Muller, Alfred; Roodt, Andreas","<i>cis</i>-Diphenylbis(1,3,5-triaza-7-phosphaadamantane-κ<i>P</i>)platinum(II)","Acta Crystallographica Section C","2004","60","6","m266","m268","10.1107/S0108270104009096","","","0.71069","MoKα","","","0.0453","","","","0.0833","","","","","","0.883","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014087","10.5166","0.0016","15.297","0.002","15.497","0.002","90.788","0.003","91.362","0.004","96.273","0.003","2477.1","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","Bis[tris(ethylenediamine)cobalt(III)] dichlorobis[μ-(1- hydroxyethylidene)diphosphonato(4-)]diruthenium(II,III)(Ru—Ru) chloride trihydrate","","- C16 H62 Cl3 Co2 N12 O17 P4 Ru2 -","- C16 H62 Cl3 Co2 N12 O17 P4 Ru2 -","- C32 H124 Cl6 Co4 N24 O34 P8 Ru4 -","2","1","AV1174","Peng, Yang; Li, Yi-Zhi; Bao, Song-Song; Zheng, Li-Min","Bis[tris(ethylenediamine)cobalt(III)] dichlorobis[μ-(1-hydroxyethylidene)diphosphonato(4‒)]diruthenium(II,III)(<i>Ru{‒</i>Ru}) chloride trihydrate","Acta Crystallographica Section C","2004","60","7","m302","m304","10.1107/S0108270104009333","","","0.71073","MoKα","","0.0482","0.0413","","","0.1085","0.1094","","","","","","1.086","","","","has coordinates,has Fobs","133636","2020-10-21","18:00:00",""
"2014088","10.292","0.003","11.564","0.003","13.944","0.004","95.843","0.003","109.438","0.003","103.123","0.003","1495.4","0.7","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","heptaaqua-1κ^3^O,2κ^2^O,3κ^2^O-(μ~3~-2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolato-1κO;2κ^4^O,O',N,O^1^;3κ^4^O^1^N',O'',O''')dinickel(II)sodium(I) pentahydrate","","- C16 H38 Cl N2 Na Ni2 O21 -","- C16 H38 Cl N2 Na Ni2 O21 -","- C32 H76 Cl2 N4 Na2 Ni4 O42 -","2","1","AV1181","Meng, Bian-Hong; Fei, Gao; Zhu, Miao-Li","A novel Na‒O‒Ni‒O‒Ni bridging complex of Cl-HXTA, where Cl-HXTA is 2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolate","Acta Crystallographica Section C","2004","60","7","m308","m310","10.1107/S0108270104011023","","","0.71073","MoKα","","0.0682","0.047","","","0.0771","0.0813","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014089","14.334","0.002","17.766","0.003","13.849","0.002","90","","90","","90","","3526.8","0.9","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","trans-bis(1-methylimidazole)[(R)-N,N'-bis(alpha-phenylsalicylidene)-1,2- propanediaminato]cobalt(III) perchlorate","","- C37 H36 Cl Co N6 O6 -","- C37 H36 Cl Co N6 O6 -","- C148 H144 Cl4 Co4 N24 O24 -","4","1","AV1186","Hirotsu, Masakazu; Kojima, Masaaki; Nakajima, Kiyohiko; Kashino, Setsuo; Yoshikawa, Yuzo","An unexpected chelate conformation in <i>trans</i>-[(<i>R</i>)-<i>N</i>,<i>N</i>'-bis(α-phenylsalicylidene)propane-1,2-diaminato(2‒)]bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(III) perchlorate","Acta Crystallographica Section C","2004","60","9","m431","m432","10.1107/S0108270104016877","","","0.71069","MoKα","","0.0712","0.0384","","","","0.1152","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014090","9.2623","0.0004","16.8814","0.0007","9.2119","0.0005","90","","96.281","0.003","90","","1431.73","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetramethylammonium pentaborate hydrate","","- C4 H16 B5 N O10.25 -","- C4 H16.5 B5 N O10.25 -","- C16 H66 B20 N4 O41 -","4","1","AV1187","Hong-Xia Zhang; Shou-Tian Zheng; Guo-Yu Yang","Tetramethylammonium pentaborate 0.25-hydrate","Acta Crystallographica Section C","2004","60","8","o545","o546","10.1107/S0108270104013915","","","0.71073","MoKα","","0.1044","0.0638","","","0.1475","0.1766","","","","","","1.118","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2014091","7.3232","0.0007","10.8613","0.001","12.0558","0.0011","97.28","0.001","100.32","0.002","91.15","0.001","934.9","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-2-sulfobenzenecarboxylato)bis[(1,10-phenanthroline)lead(II)] dihydrate","","- C38 H28 N4 O12 Pb2 S2 -","- C19 H14 N2 O6 Pb S -","- C38 H28 N4 O12 Pb2 S2 -","2","1","AV1191","Li, Xin-Hua; Yang, Sai-Zhen","Bis(μ-2-sulfonatobenzoato)bis[(1,10-phenanthroline)lead(II)] dihydrate","Acta Crystallographica Section C","2004","60","9","m423","m425","10.1107/S0108270104016889","","","0.71073","MoKα","","0.0272","0.0252","","","0.0607","0.0615","","","","","","1.053","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014092","15.487","0.003","22.117","0.004","10.442","0.002","90","","90","","90","","3576.7","1.2","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis{μ-2-[3-(cyclohexylamino)propyliminomethyl]phenolato}bis[dichlorocopper(II)]","","- C32 H48 Cl4 Cu2 N4 O2 -","- C32 H48 Cl4 Cu2 N4 O2 -","- C128 H192 Cl16 Cu8 N16 O8 -","4","0.5","AV1192","You, Zhong-Lu; Zhu, Hai-Liang","Bis{μ-2-[3-(cyclohexylammonio)propyliminomethyl]phenolato}bis[dichlorocopper(II)]","Acta Crystallographica Section C","2004","60","9","m445","m446","10.1107/S0108270104017718","","","0.71073","MoKα","","0.1394","0.0713","","","0.0883","0.1038","","","","","","0.957","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014093","10.2148","0.0014","10.2148","0.0014","7.174","0.0014","90","","90","","120","","648.26","0.18","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","catena-Poly[1,4-diazonia[2.2.2]octane [silver(I)-tri-μ-thiocyanato-κ^6^S:S]]","","- C9 H14 Ag N5 S3 -","- C9 H14 Ag N5 S3 -","- C18 H28 Ag2 N10 S6 -","2","0.166667","AV1193","Liu, Zhao-Di; Zou, Ying; Tan, Min-Yu; Zhu, Hai-Liang","<i>catena</i>-Poly[1,4-diazoniabicyclo[2.2.2]octane [silver(I)-tri-μ-thiocyanato-κ^6^<i>S</i>:<i>S</i>]]","Acta Crystallographica Section C","2004","60","9","m447","m448","10.1107/S010827010401772X","","","0.71073","MoKα","","0.0683","0.0668","","","0.1667","0.1677","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014094","21.487","0.005","3.92","0.001","11.738","0.005","90","","111.913","0.005","90","","917.2","0.5","95","","95","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","lithium hexavanadate","","","- Li3.24 O13 V6 -","- Li3.24 O13 V6 -","- Li12.96 O52 V24 -","4","0.5","BC1040","Höwing, Jonas; Gustafsson, Torbjörn; Thomas, John O.","Lithium vanadate Li~3+<i>x~</i>V~6~O~13~ at low temperature","Acta Crystallographica Section C","2004","60","7","i66","i68","10.1107/S0108270104012508","","","0.872","Synchrotron","","0.0764","0.0764","","","0.0687","0.0687","","","","","","2.15","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014095","7.503","0.002","18.766","0.004","7.733","0.002","90","","92.59","0.03","90","","1087.7","0.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","caesium silver nickel hexathiocyanate dihydrate","dicaesium disilver nickel hexathiocyanate dihydrate","","- C6 H4 Ag2 Cs2 N6 Ni O2 S6 -","- C6 H4 Ag2 Cs2 N6 Ni O2 S6 -","- C12 H8 Ag4 Cs4 N12 Ni2 O4 S12 -","2","0.5","BC1042","Fleck, Michel","Thiocyanates of nickel and caesium: Cs~2~NiAg~2~(SCN)~6~·2H~2~O and CsNi(SCN)~3~","Acta Crystallographica Section C","2004","60","7","i63","i65","10.1107/S0108270104008790","","","0.71073","MoKα","","0.0443","0.0315","","","0.0715","0.0767","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014096","5.554","0.001","13.294","0.003","12.589","0.003","90","","96.87","0.03","90","","922.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","caesium nickel(II) thiocyanate","caesium nickel trithiocyanate","","- C3 Cs N3 Ni S3 -","- C3 Cs N3 Ni S3 -","- C12 Cs4 N12 Ni4 S12 -","4","1","BC1042","Fleck, Michel","Thiocyanates of nickel and caesium: Cs~2~NiAg~2~(SCN)~6~·2H~2~O and CsNi(SCN)~3~","Acta Crystallographica Section C","2004","60","7","i63","i65","10.1107/S0108270104008790","","","0.71073","MoKα","","0.0258","0.0222","","","0.0548","0.0567","","","","","","1.049","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014097","9.3557","0.0011","5.3107","0.0007","6.5432","0.0012","90","","108.259","0.011","90","","308.73","0.08","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","lithium hypophosphite","lithium dihydrogenphosphate(I)","","- H2 Li O2 P -","- H2 Li O2 P -","- H8 Li4 O8 P4 -","4","0.5","BC1045","Naumov, Dmitry Yu.; Naumova, Marina I.; Podberezskaya, Nina V.; Kuratieva, Natalia V.","Lithium and beryllium hypophosphites","Acta Crystallographica Section C","2004","60","8","i73","i75","10.1107/S0108270104013691","","","0.71073","MoKα","","0.0391","0.0377","","","0.1046","0.1059","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014098","5.0117","0.0005","5.0117","0.0005","20.051","0.003","90","","90","","90","","503.62","0.1","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","beryllium bis(hypophosphite)","beryllium bis[dihydrogenphosphate(I)]","","- Be H4 O4 P2 -","- Be H4 O4 P2 -","- Be4 H16 O16 P8 -","4","0.5","BC1045","Naumov, Dmitry Yu.; Naumova, Marina I.; Podberezskaya, Nina V.; Kuratieva, Natalia V.","Lithium and beryllium hypophosphites","Acta Crystallographica Section C","2004","60","8","i73","i75","10.1107/S0108270104013691","","","0.71073","MoKα","","0.041","0.0327","","","0.0923","0.0983","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014099","10.096","0.002","10.096","0.002","5.961","0.001","90","","90","","120","","526.2","0.17","293","2","293","2","","","","","","","","3","P 63","P 6c","173","cerium iron sulfide","tricerium(III) diiron(II,III) heptasulfide","","- Ce3 Fe1.94 S7 -","- Ce3 Fe1.942 S7 -","- Ce6 Fe3.884 S14 -","2","0.333333","BC1047","Mills, Allison M.; Ruck, Michael","Cerium iron sulfide, Ce~3~Fe~1.94~S~7~","Acta Crystallographica Section C","2004","60","8","i71","i72","10.1107/S0108270104013708","","","0.71073","MoKα","","0.0508","0.0505","","","0.1346","0.1353","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014100","8.349","0.002","10.59","0.002","9.189","0.002","90","","109.37","0.03","90","","766.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium scandium hydrogen arsenate","potassium scandium hydrogen arsenate(V)","","- As2 H2 K O8 Sc -","- As2 H2 K O8 Sc -","- As8 H8 K4 O32 Sc4 -","4","0.5","BC1052","Schwendtner, Karolina; Kolitsch, Uwe","Alkali scandium arsenates. I. The framework structures of KSc(HAsO~4~)~2~ and RbScAs~2~O~7~","Acta Crystallographica Section C","2004","60","9","i79","i83","10.1107/S0108270104015938","","","0.71073","MoKα","","0.015","0.0142","","","0.0388","0.0391","","","","","","1.157","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014101","7.837","0.002","10.625","0.002","8.778","0.002","90","","106.45","0.03","90","","701","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rubidium scandium diarsenate","rubidium scandium diarsenate(V)","","- As2 O7 Rb Sc -","- As2 O7 Rb Sc -","- As8 O28 Rb4 Sc4 -","4","1","BC1052","Schwendtner, Karolina; Kolitsch, Uwe","Alkali scandium arsenates. I. The framework structures of KSc(HAsO~4~)~2~ and RbScAs~2~O~7~","Acta Crystallographica Section C","2004","60","9","i79","i83","10.1107/S0108270104015938","","","0.71073","MoKα","","0.0326","0.0232","","","0.0515","0.054","","","","","","1.049","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014102","7.52","0.002","9.39","0.002","10.05","0.002","65.48","0.03","70.66","0.03","70.1","0.03","592","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","caesium scandium hydrogen arsenate","caesium scandium hydrogen arsenate(V)","","- As2 Cs H2 O8 Sc -","- As2 Cs H2 O8 Sc -","- As6 Cs3 H6 O24 Sc3 -","3","1.5","BC1053","Schwendtner, Karolina; Kolitsch, Uwe","Alkali scandium arsenates. II. The framework structures of α- and β-CsSc(HAsO~4~)~2~","Acta Crystallographica Section C","2004","60","9","i84","i88","10.1107/S010827010401594X","","","0.71073","MoKα","","0.0283","0.0233","","","0.0551","0.057","","","","","","1.049","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014103","5.546","0.001","9.375","0.002","15.034","0.003","90","","95.16","0.03","90","","778.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","caesium scandium hydrogen arsenate","caesium scandium hydrogen arsenate(V)","","- As2 Cs H2 O8 Sc -","- As2 Cs H2 O8 Sc -","- As8 Cs4 H8 O32 Sc4 -","4","1","BC1053","Schwendtner, Karolina; Kolitsch, Uwe","Alkali scandium arsenates. II. The framework structures of α- and β-CsSc(HAsO~4~)~2~","Acta Crystallographica Section C","2004","60","9","i84","i88","10.1107/S010827010401594X","","","0.71073","MoKα","","0.0414","0.0353","","","0.0833","0.0852","","","","","","1.18","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014104","10.938","0.002","11.464","0.002","22.038","0.004","90","","90","","90","","2763.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cerium chromate hydrate","dicerium(IV) tetrachromate(VI) dihydrate","","- Ce2 Cr4 H4 O18 -","- Ce2 Cr4 H4 O18 -","- Ce16 Cr32 H32 O144 -","8","1","BC1054","Kolitsch, Uwe; Schwendtner, Karolina","A new chromate of tetravalent cerium: Ce~2~(CrO~4~)~4~·2H~2~O","Acta Crystallographica Section C","2004","60","9","i89","i90","10.1107/S0108270104017275","","","0.71073","MoKα","","0.0212","0.0176","","","0.0431","0.0442","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014105","8.3331","0.0012","14.695","0.002","9.2384","0.0013","90","","106.619","0.003","90","","1084","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5,6,7,8,13,14-hexahydrobis[1,2,5]oxadiazolo[3,4-b:3',4'-f] [1,8,4,5]dioxadiazacyclododecine","6,9,14,17-tetraoxa-2,3,5,7,16,18-hexaazatricyclo[13.3.0.0^4,8^]octadeca- 4,7,15,18-tetraene","","- C8 H10 N6 O4 -","- C8 H10 N6 O4 -","- C32 H40 N24 O16 -","4","1","BM1564","Averkiev, Boris B.; Timofeeva, Tatiana V.; Sheremetev, Aleksey B.; Shatunova, Elena V.; Antipin, Mikhail Yu.","Difurazano[3,4-<i>b</i>:3',4'-<i>f</i>]-4,5-diaza-1,8-dioxacyclododecine and an acyclic analogue","Acta Crystallographica Section C","2004","60","7","o520","o523","10.1107/S0108270104007541","","","0.71073","MoKα","","0.0616","0.0557","","","0.1592","0.1713","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014106","31.363","0.006","6.055","0.0012","15.724","0.003","90","","98.34","0.03","90","","2954.5","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-[2-(2-{2-[(4-amino-1,2,5-oxadiazol-3-yl)oxy]ethoxy}ethoxy)ethoxy]- 1,2,5-oxadiazol-3-amine","1,8-bis(5-aminofurazan-4-yloxy)-3,6-dioxaoctane","","- C10 H16 N6 O6 -","- C10 H16 N6 O6 -","- C80 H128 N48 O48 -","8","1","BM1564","Averkiev, Boris B.; Timofeeva, Tatiana V.; Sheremetev, Aleksey B.; Shatunova, Elena V.; Antipin, Mikhail Yu.","Difurazano[3,4-<i>b</i>:3',4'-<i>f</i>]-4,5-diaza-1,8-dioxacyclododecine and an acyclic analogue","Acta Crystallographica Section C","2004","60","7","o520","o523","10.1107/S0108270104007541","","","0.71073","MoKα","","0.064","0.0356","","","0.096","0.1092","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014107","21.6096","0.0008","7.216","0.0002","17.6529","0.0006","90","","90","","90","","2752.7","0.16","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H28 Cu2 N4 O8 -","- C28 H28 Cu2 N4 O8 -","- C112 H112 Cu8 N16 O32 -","4","0.5","BM1570","Yi-Hang Wen; Ye-Yan Qin; Jian Zhang; Zhao-Ji Li; Jian-Kai Cheng; Yao Kang; Yuan-Gen Yao","<i>catena</i>-Poly[[[aquacopper(I)]-μ-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>'] hemi(isophthalate) monohydrate]","Acta Crystallographica Section C","2004","60","8","m371","m372","10.1107/S0108270104014106","","","0.71073","MoKα","","0.0976","0.0586","","","0.139","0.164","","","","","","1.11","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2014108","7.2167","0.0006","14.6054","0.0014","8.499","0.0008","90","","98.716","0.005","90","","885.47","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(chloromethyl)pyridinium chloride","","- C7 H8 Cl3 N -","- C7 H8 Cl3 N -","- C28 H32 Cl12 N4 -","4","1","BM1577","Lozano, Virginia; Jones, Peter G.","Secondary interactions in the isomorphous compounds 2,6-bis(chloromethyl)pyridinium chloride and 2,6-bis(bromomethyl)pyridinium bromide","Acta Crystallographica Section C","2004","60","9","o653","o655","10.1107/S0108270104017007","","","0.71073","MoKα","","0.0454","0.031","","","0.0754","0.0807","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014109","7.4633","0.0006","15.0136","0.0012","8.7377","0.0006","90","","99.146","0.004","90","","966.62","0.13","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(bromomethyl)pyridinium bromide","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C28 H32 Br12 N4 -","4","1","BM1577","Lozano, Virginia; Jones, Peter G.","Secondary interactions in the isomorphous compounds 2,6-bis(chloromethyl)pyridinium chloride and 2,6-bis(bromomethyl)pyridinium bromide","Acta Crystallographica Section C","2004","60","9","o653","o655","10.1107/S0108270104017007","","","0.71073","MoKα","","0.0269","0.022","","","0.0549","0.0573","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014110","9.852","0.006","16.268","0.009","9.512","0.006","90","","119.904","0.006","90","","1321.5","1.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-chloro-N-[4-(dimethylamino)benzylidene]aniline","","- C15 H15 Cl N2 -","- C15 H15 Cl N2 -","- C60 H60 Cl4 N8 -","4","1","DE1245","Xiu-Li You; Cheng-Rong Lu; Yong Zhang; De-Chun Zhang","C—H···π, π‒π and C—H···Cl interactions in chloro-substituted Schiff bases and 4-chloro-<i>N</i>-[4-(dimethylamino)benzylidene]aniline","Acta Crystallographica Section C","2004","60","9","o693","o695","10.1107/S0108270104017871","","","0.7107","MoKα","","0.0603","0.0555","","","0.1401","0.1433","","","","","","1.162","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014111","15.6","0.003","14.235","0.003","5.8621","0.0011","90","","92.029","0.004","90","","1301","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methyl-4'-bromo-chalcone","1-(4-Bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one","","- C16 H13 Br O -","- C16 H13 Br O -","- C64 H52 Br4 O4 -","4","1","DE1246","Wang, Lei; Zhang, Yong; Lu, Cheng-Rong; Zhang, De-Chun","1-(4-Bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section C","2004","60","9","o696","o698","10.1107/S0108270104017883","","","0.7107","MoKα","","0.0477","0.0429","","","0.0896","0.0912","","","","","","1.242","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014112","7.882","0.002","12.05","0.003","12.602","0.004","90","","99.273","0.005","90","","1181.3","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methylpiperazine-1,4-diium 4-nitrophthalate(2-) 4-nitrophthalic acid monohydrate","","- C21 H24 N4 O13 -","- C21 H24 N4 O13 -","- C42 H48 N8 O26 -","2","1","DE1248","Guo Ming-Lin","1-Methylpiperazine-1,4-diium 4-nitrophthalate(2‒) 4-nitrophthalic acid monohydrate","Acta Crystallographica Section C","2004","60","9","o690","o692","10.1107/S0108270104018207","","","0.71073","MoKα","","0.0483","0.0366","","","0.0818","0.0904","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014113","8.184","0.005","19.786","0.011","12.884","0.007","90","","96.994","0.01","90","","2071","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{[1(E)-(4-methoxyphenyl)methylene]amino}-N-(3-methylphenyl)-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C96 H96 N8 O8 S4 -","4","1","DE1249","Vasu; K. A. Nirmala; Deepak Chopra; S. Mohan; J.Saravanan","Two biologically active thiophene-3-carboxamide derivatives","Acta Crystallographica Section C","2004","60","9","o636","o638","10.1107/S0108270104016014","","","0.71073","MoKa","","0.0469","0.0394","","","0.1103","0.1193","","","","","","0.825","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014114","7.658","0.007","12.365","0.011","12.569","0.011","108.49","0.013","103.745","0.014","106.02","0.013","1013.5","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(4-methylphenyl)-2-{[1(E)-(4-methylphenyl)methylene]amino}-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C24 H24 N2 O S -","- C24 H24 N2 O S -","- C48 H48 N4 O2 S2 -","2","1","DE1249","Vasu; K. A. Nirmala; Deepak Chopra; S. Mohan; J.Saravanan","Two biologically active thiophene-3-carboxamide derivatives","Acta Crystallographica Section C","2004","60","9","o636","o638","10.1107/S0108270104016014","","","0.71073","MoKα","","0.0672","0.0565","","","0.1761","0.1922","","","","","","0.868","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014115","10.589","0.002","17.537","0.003","11.686","0.002","90","","100.954","0.003","90","","2130.5","0.7","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Diacetato-κ^2^O-bis[(S)-1-(1-aminoethyl)-4-fluorophenyl-κN]palladium(II)","","- C20 H26 F2 N2 O4 Pd -","- C20 H26 F2 N2 O4 Pd -","- C80 H104 F8 N8 O16 Pd4 -","4","2","DN1048","Calmuschi, Beatrice; Jonas, Alexander Erik; Englert, Ulli","Diacetato-κ^2^<i>O</i>-bis[(<i>S</i>)-1-(4-fluorophenyl)ethylamine-κ<i>N</i>]palladium(II) and di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis{[(<i>S</i>)-2-(1-aminoethyl)-5-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} benzene hemisolvate","Acta Crystallographica Section C","2004","60","7","m320","m323","10.1107/S0108270104010856","","","0.71073","MoKα","","0.0225","0.0223","","","0.0607","0.0608","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014116","22.504","0.005","9.1632","0.0019","12.279","0.003","90","","109.131","0.004","90","","2392.2","0.9","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","di-μ-acetato-κ^4^O:O'-bis{[(S)-1-(1-aminoethyl)-4-fluorophenyl- k^2^C^2^,N]palladium(II)} benzene hemisolvate","","- C23 H27 F2 N2 O4 Pd2 -","- C23 H27 F2 N2 O4 Pd2 -","- C92 H108 F8 N8 O16 Pd8 -","4","1","DN1048","Calmuschi, Beatrice; Jonas, Alexander Erik; Englert, Ulli","Diacetato-κ^2^<i>O</i>-bis[(<i>S</i>)-1-(4-fluorophenyl)ethylamine-κ<i>N</i>]palladium(II) and di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis{[(<i>S</i>)-2-(1-aminoethyl)-5-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} benzene hemisolvate","Acta Crystallographica Section C","2004","60","7","m320","m323","10.1107/S0108270104010856","","","0.71073","MoKα","","0.042","0.0359","","","0.0685","0.0704","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014117","5.1173","0.0007","8.561","0.002","10.309","0.001","90","","94.63","0.01","90","","450.16","0.13","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","lithium molybdyl arsenate","β-LiMoO~2~AsO~4~","","- As2 Li2 Mo2 O12 -","- As Li Mo O6 -","- As4 Li4 Mo4 O24 -","4","2","DN1050","Hajji, Mounir; Zid, Mohamed Faouzi; Driss, Ahmed; Jouini, Tahar","β-LiMoO~2~(AsO~4~)","Acta Crystallographica Section C","2004","60","8","i76","i78","10.1107/S0108270104013162","","","0.71073","MoKα","","0.0274","0.0252","","","0.0629","0.0637","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014118","10.7716","0.0012","7.0104","0.0007","15.5546","0.0014","90","","90","","90","","1174.6","0.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","2-(6-bromo-pyridin-2-yl)-6-methyl-[1,3,6,2]dioxazaborocane","6a-(6-bromopyridin-2-yl)-3a-methyl-2,3,4,5-tetrahydro1,6-dioxa-3a-aza-6a- borapentalene","","- C10 H14 B Br N2 O2 -","- C10 H14 B Br N2 O2 -","- C40 H56 B4 Br4 N8 O8 -","4","1","DN1051","Sopková-de Oliveira Santos, Jana; Bouillon, Alexandre; Lancelot, Jean-Charles; Rault, Sylvain","2-(6-Bromopyridin-2-yl)-6-methyl-[1,3,6,2]dioxazaborocane, a new stable (pyridin-2-yl)boronic acid derivative","Acta Crystallographica Section C","2004","60","8","o582","o584","10.1107/S0108270104014520","","","0.71073","MoKα","","0.0706","0.0492","","","0.131","0.1442","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014119","11.734","0.003","10.566","0.002","13.418","0.003","90","","111.44","0.01","90","","1548.5","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(ethyl-acetoacetate)ethylenediimine","Diethyl 3,8-dimethyl-4,7-diazadec-2,8-dienedioate","","- C14 H24 N2 O4 -","- C14 H24 N2 O4 -","- C56 H96 N8 O16 -","4","0.5","DN1052","Jin, Zhi-Min; Li, Li; Li, Mei-Chao; Hu, Mao-Lin; Shen, Liang","Diethyl 3,8-dimethyl-4,7-diazadeca-2,8-dienedioate","Acta Crystallographica Section C","2004","60","9","o642","o643","10.1107/S0108270104016130","","","0.71073","MoKα","","0.0779","0.047","","","0.1037","0.1123","","","","","","0.914","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014120","11.007","0.001","13.061","0.001","24.298","0.001","90","","112.652","0.005","90","","3223.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-methyl-1-[4-(methylsulfonyl)phenyl]-5-phenyl-1H-pyrazole","","- C17 H16 N2 O2 S -","- C17 H16 N2 O2 S -","- C136 H128 N16 O16 S8 -","8","2","DN1055","Charlier, Caroline; Norberg, Bernadette; Goossens, Laurence; Hénichart, Jean-Pierre; Durant, François","1-[4-(Methylsulfonyl)phenyl]-5-phenyl-1<i>H</i>-pyrazole derivatives","Acta Crystallographica Section C","2004","60","9","o648","o652","10.1107/S0108270104016117","","","1.54178","CuKα","","0.0473","0.0398","","","0.1119","0.1182","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014121","19.479","0.001","5.61","0.001","33.586","0.003","90","","90","","90","","3670.2","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","ethyl 1-[4-(methylsulfonyl)phenyl]-5-phenyl-1H-pyrazole-3-carboxylate","","- C19 H18 N2 O4 S -","- C19 H18 N2 O4 S -","- C152 H144 N16 O32 S8 -","8","2","DN1055","Charlier, Caroline; Norberg, Bernadette; Goossens, Laurence; Hénichart, Jean-Pierre; Durant, François","1-[4-(Methylsulfonyl)phenyl]-5-phenyl-1<i>H</i>-pyrazole derivatives","Acta Crystallographica Section C","2004","60","9","o648","o652","10.1107/S0108270104016117","","","1.54178","CuKα","","0.0925","0.0378","","","0.0837","0.102","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014122","10.325","0.002","13.874","0.002","18.094","0.002","100.823","0.009","104.704","0.008","91.888","0.011","2453.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-[4-(methylsulfonyl)phenyl]-3-[3-(morpholino)phenoxymethyl]-5-phenyl-1H- pyrazole","","- C27 H27 N3 O4 S -","- C27 H27 N3 O4 S -","- C108 H108 N12 O16 S4 -","4","2","DN1055","Charlier, Caroline; Norberg, Bernadette; Goossens, Laurence; Hénichart, Jean-Pierre; Durant, François","1-[4-(Methylsulfonyl)phenyl]-5-phenyl-1<i>H</i>-pyrazole derivatives","Acta Crystallographica Section C","2004","60","9","o648","o652","10.1107/S0108270104016117","","","1.54178","CuKα","","0.0672","0.0561","","","0.1565","0.1681","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014123","7.768","0.002","8.75","0.002","12.703","0.002","89.01","0.01","81.59","0.02","68.05","0.01","791.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","7-methoxy-2-[3-(trifluoromethyl)phenyl]-9H-indeno[1,2-c]pyridazin-9-one","","- C19 H11 F3 N2 O2 -","- C19 H11 F3 N2 O2 -","- C38 H22 F6 N4 O4 -","2","1","DN1056","Frédérick, Raphaël; Norberg, Bernadette; Durant, François; Ooms, Frederic; Wouters, Johan","Three 5<i>H</i>-indeno[1,2-<i>c</i>]pyridazin-5-one derivatives, potent type-B monoamine oxidase inhibitors","Acta Crystallographica Section C","2004","60","9","o623","o626","10.1107/S0108270104014660","","","1.54178","CuKα","","0.0593","0.048","","","0.1293","0.1392","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014124","10.306","0.001","10.798","0.001","14.986","0.001","73.453","0.006","79.592","0.007","89.422","0.007","1570.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6-methoxy-2-[3-(trifluoromethyl)phenyl]-9H-indeno[1,2-c]pyridazin-9-one","","- C19 H11 F3 N2 O2 -","- C19 H11 F3 N2 O2 -","- C76 H44 F12 N8 O8 -","4","2","DN1056","Frédérick, Raphaël; Norberg, Bernadette; Durant, François; Ooms, Frederic; Wouters, Johan","Three 5<i>H</i>-indeno[1,2-<i>c</i>]pyridazin-5-one derivatives, potent type-B monoamine oxidase inhibitors","Acta Crystallographica Section C","2004","60","9","o623","o626","10.1107/S0108270104014660","","","1.54178","CuKα","","0.0901","0.0481","","","0.1259","0.1468","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014125","4.918","0.002","11.978","0.006","24.659","0.005","90","","96.65","0.02","90","","1442.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methyl-6-(4,4,4-trifluorobutoxy)-9H-indeno[1,2-c]pyridazin-9-one","","- C16 H13 F3 N2 O2 -","- C16 H13 F3 N2 O2 -","- C64 H52 F12 N8 O8 -","4","1","DN1056","Frédérick, Raphaël; Norberg, Bernadette; Durant, François; Ooms, Frederic; Wouters, Johan","Three 5<i>H</i>-indeno[1,2-<i>c</i>]pyridazin-5-one derivatives, potent type-B monoamine oxidase inhibitors","Acta Crystallographica Section C","2004","60","9","o623","o626","10.1107/S0108270104014660","","","1.54178","CuKα","","0.1852","0.0676","","","0.1861","0.2486","","","","","","0.976","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014126","10.1418","0.0005","11.3396","0.0006","11.9874","0.0006","97.422","0.001","104.139","0.001","108.644","0.001","1234.03","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aquabis(2-nitrobenzoato-kO)(1,10-phenanthroline-k^2^N,N')zinc(II)","","- C26 H18 N4 O9 Zn -","- C26 H18 N4 O9 Zn -","- C52 H36 N8 O18 Zn2 -","2","1","DN1058","Kou-Lin Zhang; Jian-Guo Lin; Ya-Qiong Wang; Wen-Lin Xu; Jiu-Tong Chen","Aquabis(2-nitrobenzoato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)","Acta Crystallographica Section C","2004","60","9","m454","m456","10.1107/S0108270104018165","","","0.71073","MoKα","","0.0529","0.044","","","0.0981","0.1049","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014127","10.1039","0.001","11.3131","0.0016","17.4278","0.0019","90","","105.314","0.009","90","","1921.4","0.4","296","1","296","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena(Bromo-ω-thiocaprolactam-gold(I))","catena-Poly[bromo(ω-thiocaprolactam-κS)gold(I)](Au—Au)","","- C6 H11 Au Br N S -","- C6 H11 Au Br N S -","- C48 H88 Au8 Br8 N8 S8 -","8","2","FA1058","Núñez Gaytán, María-Elena; Bernès, Sylvain; Rodríguez de San Miguel, Eduardo; De Gyves, Josefina","<i>catena</i>-Poly[bromo(ω-thiocaprolactam-κ<i>S</i>)gold(I)](<i>Au{—</i>Au})","Acta Crystallographica Section C","2004","60","8","m414","m417","10.1107/S0108270104014532","","","0.71073","Mo-Kα","","0.0693","0.043","","","0.0937","0.1062","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014128","9.3078","0.0019","10.329","0.002","12.898","0.003","93.51","0.03","105.33","0.03","100.75","0.03","1166.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Carbonyl(5-nitrotropolonato-κ^2^O^1^,O^2^)(triphenylphosphine-κP)rhodium(I)","","- C26 H19 N O5 P Rh -","- C26 H19 N O5 P Rh -","- C52 H38 N2 O10 P2 Rh2 -","2","1","FA1061","Steyl, Gideon; Roodt, Andreas","Carbonyl(5-nitrotropolonato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(triphenylphosphine-κ<i>P</i>)rhodium(I)","Acta Crystallographica Section C","2004","60","7","m324","m326","10.1107/S0108270104011102","","","0.71069","MoKα","","0.095","0.0485","","","0.0912","0.1069","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014129","8.4478","0.0007","8.8751","0.0007","12.3854","0.0009","81.56","0.006","72.655","0.006","64.257","0.006","798.24","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(pyridine-2-carboxamide-κ^2^N^1^,O^2^)nickel(II) disaccharinate tetrahydrate","","- C26 H32 N6 Ni O14 S2 -","- C26 H32 N6 Ni O14 S2 -","- C26 H32 N6 Ni O14 S2 -","1","0.5","FA1063","Paşaoğlu, Hümeyra; Tezcan, Fatma; Yeşilel, Okan Z.; ölmez, Halis; Içbudak, Hasan; Büyükgüngör, Orhan","Diaquabis(pyridine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>^2^)nickel(II) disaccharinate tetrahydrate","Acta Crystallographica Section C","2004","60","7","m335","m337","10.1107/S0108270104012648","","","0.71073","MoKα","","0.0463","0.0344","","","0.088","0.0915","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014130","9.135","0.005","10.972","0.005","11.968","0.005","71.537","0.005","70.118","0.005","86.582","0.005","1068.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H31 Cd N2 O11 -","- C16 H31 Cd N2 O11 -","- C32 H62 Cd2 N4 O22 -","2","1","FA1064","Uçar, İbrahim; Yeşilel, Okan Zafer; Bulut, Ahmet; İçbudak, Hasan; Ölmez, Halis; Kazak, Canan","A capped trigonal prismatic cadmium complex with tetra- and tridentate ligands: bis(triethanolamine)-κ^3^<i>N</i>,<i>O</i>,<i>O</i>';κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>''-cadmium(II) squarate monohydrate","Acta Crystallographica Section C","2004","60","8","m392","m394","10.1107/S0108270104013174","","","0.71069","MoKα","","0.0516","0.044","","","0.1157","0.1179","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014131","7.79","0.002","9.971","0.002","10.832","0.002","72.59","0.03","74.79","0.03","75.64","0.03","761.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (E)-3-(2-hydroxyphenyl)-2-(morpholinocarbonyl)propenoate","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C32 H38 N2 O10 -","2","1","FA1065","Juana E. Pérez-Vargas; Francisco J. Martínez-Martínez; Itzia I. Padilla-Martínez; Herbert Höpfl; Efrén V. García-Báez","Ethyl (<i>E</i>)-3-(2-hydroxyphenyl)-2-(morpholinocarbonyl)propenoate","Acta Crystallographica Section C","2004","60","7","o517","o519","10.1107/S0108270104012806","","","0.71073","MoKα","","0.0914","0.0475","","","0.0939","0.1041","","","","","","1.014","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014132","8.3891","0.0007","13.894","0.0008","14.553","0.0012","90","","94.025","0.007","90","","1692.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 N6 Ni O2 S2 -","- C10 H24 N6 Ni O2 S2 -","- C40 H96 N24 Ni4 O8 S8 -","4","1","FA1069","Karadag, Ahmet; Bulut, Ahmet; Büyükgüngör, Orhan","<i>trans</i>-Bis[<i>N</i>-(2-hydroxyethyl)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']bis(isothiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section C","2004","60","8","m402","m404","10.1107/S010827010401488X","","","0.71073","MoKα","","0.0624","0.0314","","","0.0716","0.077","","","","","","0.939","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014133","13.0945","0.0003","16.5699","0.0003","13.1869","0.0002","90","","96.488","0.001","90","","2842.9","0.09","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Amidobis[η^5^-1,3-bis(trimethylsilyl)cyclopentadienyl]titanium","Amidobis[η^5^-1,3-bis(trimethylsilyl)cyclopentadienyl]titanium(III)","","- C22 H44 N Si4 Ti -","- C22 H44 N Si4 Ti -","- C88 H176 N4 Si16 Ti4 -","4","1","FA1076","Sofield, Chadwick D.; Walter, Marc D.; Andersen, Richard A.","Amidobis[η^5^-1,3-bis(trimethylsilyl)cyclopentadienyl]titanium(III)","Acta Crystallographica Section C","2004","60","9","m465","m466","10.1107/S0108270104018840","","","0.71073","MoKα","","0.0828","0.054","","","0.1","0.1132","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014134","7.981","0.003","11.388","0.003","12.497","0.003","117.065","0.003","100.394","0.01","94.856","0.003","976.6","0.5","293","","293","2","","","","","","","","3","P -1","-P 1","2","Tetrahydrocurcumin","1,7-Bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione","","- C21 H24 O6 -","- C21 H24 O6 -","- C42 H48 O12 -","2","1","FG1755","Girija, C. R.; Begum, Noor Shahina; Syed, Akheel Ahmed; Thiruvenkatam, Vijay","Hydrogen-bonding and C—H···π interactions in 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione (tetrahydrocurcumin)","Acta Crystallographica Section C","2004","60","8","o611","o613","10.1107/S0108270104015549","","","0.71073","MoKa","","0.0632","0.0554","","","0.1617","0.1709","","","","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014135","9.256","0.006","10.939","0.007","15.169","0.009","90","","97.75","0.01","90","","1521.9","1.7","100","0.2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1H-indole","","- C20 H18 F N -","- C20 H18 F N -","- C80 H72 F4 N4 -","4","1","FG1756","Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","Crystal engineering <i>via</i> C—H···F and C—H···π interactions in two substituted indoles","Acta Crystallographica Section C","2004","60","9","o644","o647","10.1107/S0108270104016865","","","0.71073","MoKα","","0.0463","0.0381","","","0.092","0.097","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014136","9.273","0.002","10.786","0.002","10.936","0.002","61.647","0.003","65.525","0.003","69.21","0.003","858.8","0.3","100","0.2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(4-fluorophenyl)-6,6-dimethyl-2-phenyl-4,5,6,7-tetrahydro-1H-indole","","- C22 H22 F N -","- C22 H22 F N -","- C44 H44 F2 N2 -","2","1","FG1756","Choudhury, A. R; Nagarajan, K.; Guru Row, T. N.","Crystal engineering <i>via</i> C—H···F and C—H···π interactions in two substituted indoles","Acta Crystallographica Section C","2004","60","9","o644","o647","10.1107/S0108270104016865","","","0.71073","MoKα","","0.0406","0.0377","","","0.0943","0.0966","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014137","12.856","0.001","15.689","0.001","10.727","0.001","90","","100.27","0.01","90","","2128.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(3,4-Dichlorophenyl)-9-(4-methylphenylsulfonyl)-4,9- diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione","","- C22 H18 Cl2 N2 O4 S -","- C22 H18 Cl2 N2 O4 S -","- C88 H72 Cl8 N8 O16 S4 -","4","1","FG1757","Bortoluzzi, Adailton J.; Andrade, Evilazio S.; Nunes, Ricardo J.","4-(3,4-Dichlorophenyl)-9-(4-methylphenylsulfonyl)-4,9-diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione and 4-(4-chlorophenyl)-9-(4-methylphenylsulfonyl)-4,9-diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione","Acta Crystallographica Section C","2004","60","8","o614","o616","10.1107/S0108270104015550","","","0.71069","MoKα","","0.1181","0.0491","","","0.1158","0.1367","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014138","8.975","0.002","10.167","0.005","12.876","0.001","105.06","0.02","109.89","0.02","100.97","0.03","1015.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(4-chlorophenyl)-9-(4-methylphenylsulfonyl)-4,9- diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione","","- C22 H19 Cl N2 O4 S -","- C22 H19 Cl N2 O4 S -","- C44 H38 Cl2 N4 O8 S2 -","2","1","FG1757","Bortoluzzi, Adailton J.; Andrade, Evilazio S.; Nunes, Ricardo J.","4-(3,4-Dichlorophenyl)-9-(4-methylphenylsulfonyl)-4,9-diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione and 4-(4-chlorophenyl)-9-(4-methylphenylsulfonyl)-4,9-diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione","Acta Crystallographica Section C","2004","60","8","o614","o616","10.1107/S0108270104015550","","","0.71069","MoKα","","0.0495","0.0355","","","0.0911","0.0973","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014139","10.1655","0.0005","15.156","0.0007","13.8914","0.0006","90","","108.302","0.002","90","","2031.96","0.16","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Poly[[bis[aqua(1,10-phenanthroline)lanthanum(III)]-μ-aqua-di-μ-5- sulfonatoisophthalato] monohydrate]","","- C40 H30 La2 N4 O18 S2 -","- C40 H30 La2 N4 O18 S2 -","- C80 H60 La4 N8 O36 S4 -","2","0.5","FG1760","Hu, Mao-Lin; Miao, Qian; Shi, Qian; Ye, Ming-De","Poly[[bis[aqua(1,10-phenanthroline)lanthanum(III)]-μ-aqua-di-μ-5-sulfonatoisophthalato] monohydrate] and poly[[[triaqualanthanum(III)]-μ-5-sulfonatoisophthalato] monohydrate]","Acta Crystallographica Section C","2004","60","9","m460","m464","10.1107/S0108270104018645","","","0.71073","MoKα","","0.0449","0.0425","","","0.1054","0.1146","","","","","","1.397","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014140","7.9902","0.0002","15.4229","0.0004","10.5753","0.0002","90","","92.606","0.001","90","","1301.87","0.05","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[triaqualanthanum(III)-μ-5-sulfonatoisophthalato] monohydrate]","","- C8 H11 La O11 S -","- C8 H11 La O11 S -","- C32 H44 La4 O44 S4 -","4","1","FG1760","Hu, Mao-Lin; Miao, Qian; Shi, Qian; Ye, Ming-De","Poly[[bis[aqua(1,10-phenanthroline)lanthanum(III)]-μ-aqua-di-μ-5-sulfonatoisophthalato] monohydrate] and poly[[[triaqualanthanum(III)]-μ-5-sulfonatoisophthalato] monohydrate]","Acta Crystallographica Section C","2004","60","9","m460","m464","10.1107/S0108270104018645","","","0.71073","MoKα","","0.0185","0.0179","","","0.0463","0.0467","","","","","","1.146","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014141","11.0484","0.0017","11.3415","0.0018","25.919","0.004","82.62","0.003","86.414","0.003","82.697","0.003","3191.2","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis(η^5^-cyclopentadienyl)[rel-(1R,5S,7R,14S)-(1,3,5,7,9,11,14- heptacyclopentyl-7,14-dihydroxytricyclo[7.3.3.0^15,11^]heptasiloxan-3- yl)bis(pentafluorophenyl)borinato(2-)]zirconium","","- C57 H73 B F10 O12 Si7 Zr -","- C57 H73 B F10 O12 Si7 Zr -","- C114 H146 B2 F20 O24 Si14 Zr2 -","2","1","FR1472","Garrison, Jered C.; Kim, Hoon; Collins, Scott; Youngs, Wiley J.","A fluorophenylboron-functionalized zirconium silsesquioxane complex","Acta Crystallographica Section C","2004","60","7","m357","m359","10.1107/S0108270104012296","","","0.71073","MoKα","","0.1154","0.0686","","","0.1382","0.16","","","","","","0.927","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014142","36.228","0.003","5.5729","0.0006","8.9677","0.0007","90","","96.205","0.009","90","","1799.9","0.3","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,6-Dibenzyl-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-s-indacene","N,N'-di-N-benzylbispyrrolidino[3,4-5,6]pyrazine","","- C22 H22 N4 -","- C22 H22 N4 -","- C88 H88 N16 -","4","1","FR1478","Gilles Gasser; Helen Stoeckli-Evans","2,6-Dibenzyl-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-<i>s</i>-indacene and 2,6-bis(4-methoxybenzyl)-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-<i>s</i>-indacene","Acta Crystallographica Section C","2004","60","7","o514","o516","10.1107/S0108270104009485","","","0.71069","MoKα","","0.1132","0.0683","","","0.1672","0.1812","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014143","20.852","0.002","5.6574","0.0005","8.6905","0.0009","90","","94.4","0.013","90","","1022.18","0.17","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-bis(4-methoxybenzyl)-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-s-indacene","N,N'-di-4'-methoxybenzylbispyrrolidino[2,3-5,6]pyrazine","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C48 H52 N8 O4 -","2","0.5","FR1478","Gilles Gasser; Helen Stoeckli-Evans","2,6-Dibenzyl-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-<i>s</i>-indacene and 2,6-bis(4-methoxybenzyl)-1,2,3,5,6,7-hexahydro-2,4,6,8-tetraaza-<i>s</i>-indacene","Acta Crystallographica Section C","2004","60","7","o514","o516","10.1107/S0108270104009485","","","0.71073","MoKα","","0.0656","0.0304","","","0.0638","0.0708","","","","","","0.812","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014144","10.4012","0.0015","4.9254","0.0007","19.162","0.003","90","","102.484","0.003","90","","958.5","0.2","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-aminopyridinium‒fumarate‒fumaric acid (2/1/1)","","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","- C36 H40 N8 O16 -","2","0.5","FR1480","Büyükgüngör, Orhan; Odabaşoğlu, Mustafa; Albayrak, Çiğdem; Lönnecke, Peter","2-Aminopyridinium‒fumarate‒fumaric acid (2/1/1)","Acta Crystallographica Section C","2004","60","7","o470","o472","10.1107/S0108270104010546","","","0.71073","MoKα","","0.0489","0.0423","","","0.1081","0.1122","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014145","6.1497","0.0007","14.6894","0.0019","16.922","0.002","90","","92.6","0.01","90","","1527.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(Benzofuran-2-yl)(3-methyl-3-phenylcyclobutyl)methanone","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","FR1482","Yüksektepe, Çiĝdem; Saraçoĝlu, Hanife; Koca, Murat; Çukurovali, Alaaddin; Çalıs̨kan, Nezihe","(Benzofuran-2-yl)(3-methyl-3-phenylcyclobutyl)methanone","Acta Crystallographica Section C","2004","60","7","o509","o510","10.1107/S0108270104012302","","","0.71073","MoKα","","0.0724","0.0412","","","0.0908","0.0983","","","","","","0.828","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014146","20.031","0.0004","10.2199","0.0002","20.0399","0.0003","90","","96.303","0.002","90","","4077.67","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Biphenyl-2,2'-dithiolato-κ^2^S:S'bis[(triphenylphosphine-κP)gold(I)]","","- C48 H38 Au2 P2 S2 -","- C48 H38 Au2 P2 S2 -","- C192 H152 Au8 P8 S8 -","4","1","FR1487","Scott A. Larkin; Jeanette A. Krause Bauer; V. E. Konoplev; Victor P. Dyadchenko; Dmitrii A. Lemenovskii; Mitchell R. M. Bruce; Alice E. Bruce","μ-Biphenyl-2,2'-dithiolato-κ^2^<i>S</i>:<i>S</i>'-bis[(triphenylphosphine-κ<i>P</i>)gold(I)]","Acta Crystallographica Section C","2004","60","9","m440","m442","10.1107/S0108270104016099","","","0.71073","MoKα","","0.0708","0.0365","","","0.0621","0.071","","","","","","1.001","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014147","10.385","0.006","18.024","0.004","14.229","0.005","90","","102.05","0.05","90","","2604.7","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[N,N-Bis(2-hydroxyimino-2-phenylethyl)amino]-2,3-dimethyl-2-phenyl- 2,3-dihydropyrazol-3-one monohydrate","","- C27 H29 N5 O4 -","- C27 H29 N5 O4 -","- C108 H116 N20 O16 -","4","1","FR1488","S̨engül, Abdurrahman; Karadayı, Nevzat","4-[<i>N</i>,<i>N</i>-Bis(2-hydroxyimino-2-phenylethyl)amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one monohydrate","Acta Crystallographica Section C","2004","60","8","o539","o541","10.1107/S0108270104012314","","","0.71073","MoKα","","0.0928","0.0552","","","0.1326","0.1551","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014148","10.322","0.001","14.239","0.001","14.138","0.001","90","","110.254","0.004","90","","1949.4","0.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rel-(1R,4aR,9S,9aS,10R)-4a,9,9a,10-tetrahydro-9,10-diphenylspiro[9,10- epoxyanthracene-1(4H),2'-oxiran]-4‒one","","- C27 H20 O3 -","- C27 H20 O3 -","- C108 H80 O12 -","4","1","FR1490","Gallucci, Judith C.; Tamura, Yukiko; Paquette, Leo A.","Preference for the Diels‒Alder addition of dienes <i>syn</i> to the O atom in cross-conjugated spirocyclic cyclohexadienones","Acta Crystallographica Section C","2004","60","9","o656","o658","10.1107/S0108270104015951","","","0.71073","MoKα","","0.0611","0.0436","","","0.1092","0.1178","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014149","8.434","0.001","13.586","0.001","17.597","0.002","90","","90.646","0.004","90","","2016.2","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","rel-(1R,4aS,9R,9aS,10S)-4a,9,9a,10-tetrahydro-9,10-diphenyl- spiro[9,10-epoxyanthracene-1(4H),2'-oxetane]-4-one","","- C28 H22 O3 -","- C28 H22 O3 -","- C112 H88 O12 -","4","1","FR1490","Gallucci, Judith C.; Tamura, Yukiko; Paquette, Leo A.","Preference for the Diels‒Alder addition of dienes <i>syn</i> to the O atom in cross-conjugated spirocyclic cyclohexadienones","Acta Crystallographica Section C","2004","60","9","o656","o658","10.1107/S0108270104015951","","","0.71073","MoKα","","0.0584","0.041","","","0.1037","0.1123","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014150","10.1077","0.0005","20.0087","0.0011","14.302","0.0008","90","","99.483","0.001","90","","2852.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","fac-(CO)~3~((4,4'-dimethyl-2,2'-bpy)rhenium(I)Ph~3~tin(II)","fac-tricarbonyl-2κ^3^C-(4,4'-dimethyl-2,2'-bipyridine)-2κ^2^N,N'-triphenyl- 1κ^3^C^1^-tin(II)rhenium(I)(Sn—Re)","","- C33 H27 N2 O3 Re Sn -","- C33 H27 N2 O3 Re Sn -","- C132 H108 N8 O12 Re4 Sn4 -","4","1","FR1491","Gibson, Dorothy H.; Mashuta, Mark S.; Yin, Xiao-Long","<i>fac</i>-Tricarbonyl(4,4'-dimethyl-2,2'-bipyridine)triphenyltin(II)rhenium(I)","Acta Crystallographica Section C","2004","60","8","m366","m367","10.1107/S0108270104013836","","","0.71073","MoKα","","0.0162","0.015","","","0.0385","0.0388","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014151","8.841","0.002","7.746","0.001","16.326","0.003","90","","98.092","0.002","90","","1106.9","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Bis(acetoxy)curcumin","4-[7-(4-Acetoxy-3-methoxyphenyl)-5-hydroxy-3-oxohepta-1,4,6-trienyl]-2- methoxyphenyl acetate","","- C25 H24 O8 -","- C25 H24 O8 -","- C50 H48 O16 -","2","1","FR1497","Mague, Joel T.; Alworth, William L.; Payton, Florastina L.","Curcumin and derivatives","Acta Crystallographica Section C","2004","60","8","o608","o610","10.1107/S0108270104015434","","","0.71073","MoKα","","0.0614","0.0461","","","0.1068","0.1131","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014152","8.897","0.003","9.003","0.003","14.577","0.005","90","","90","","90","","1167.6","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-bromomethyl-3-ethyl-1,4-dioxo-tetrahydro-pyrrolo[2,1-c][1,4]oxazine","","- C10 H14 Br N O3 -","- C10 H14 Br N O3 -","- C40 H56 Br4 N4 O12 -","4","1","GA1049","Yun-Yan, Kuang; Ming, Huo; Fen-Er, Chen","3-Bromomethyl-3-ethyl-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]oxazine-1,4-dione","Acta Crystallographica Section C","2004","60","7","o505","o506","10.1107/S010827010401131X","","","0.71073","MoKα","","0.0387","0.0297","","","0.0659","0.0692","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014153","8.198","0.002","9.303","0.002","22.644","0.005","90","","90","","90","","1727","0.7","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-Amino-3-methoxypyrimidino[5',4':16,17]oestra-1,3,5(10),16-tetraene","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C84 H100 N12 O4 -","4","1","GA1051","Matsumoto, Tomohiro; Matsumoto, Taisuke; Watanabe, Masataka; Mataka, Shuntaro; Thiemann, Thies","2'-Amino-3-methoxypyrimidino[5',4':16,17]estra-1,3,5(10),16-tetraene","Acta Crystallographica Section C","2004","60","7","o501","o502","10.1107/S0108270104012326","","","0.7107","MoKα","","","0.041","","","","0.112","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014154","8.929","0.002","10.022","0.003","19.651","0.009","90","","90","","90","","1758.5","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-methyl-3,17-dioxo-16,17-seco-4-androstene-16-carbonitrile","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","GA1054","Lazar, Dušan; Klisurić, Olivera; Stanković, Slobodanka; Penov-Gaši, Katarina; Djurendić, Evgenija; Kovačević, Radmila","Structure‒activity relationships in 4- and 5-androstene: 3β-acetoxy-17-methyl-17-oxo-16,17-seco-5-androstene-16-carbonitrile and 17-methyl-3,17-dioxo-16,17-seco-4-androstene-16-carbonitrile","Acta Crystallographica Section C","2004","60","9","o671","o673","10.1107/S0108270104017457","","","1.5418","CuKα","","0.0473","0.0363","","","0.1074","0.1191","","","","","","0.908","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014155","5.946","0.002","16.12","0.002","20.746","0.003","90","","90","","90","","1988.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β-acetoxy-17-methyl-17-oxo-16,17-seco-5-androstene-16-carbonitrile","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","GA1054","Lazar, Dušan; Klisurić, Olivera; Stanković, Slobodanka; Penov-Gaši, Katarina; Djurendić, Evgenija; Kovačević, Radmila","Structure‒activity relationships in 4- and 5-androstene: 3β-acetoxy-17-methyl-17-oxo-16,17-seco-5-androstene-16-carbonitrile and 17-methyl-3,17-dioxo-16,17-seco-4-androstene-16-carbonitrile","Acta Crystallographica Section C","2004","60","9","o671","o673","10.1107/S0108270104017457","","","1.5418","CuKα","","0.0774","0.0401","","","0.1096","0.1358","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014156","7.862","0.0003","12.6448","0.0005","14.0134","0.0002","90","","97.755","0.002","90","","1380.38","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[diaqua(nicotinato-κ^2^O,O')cadmium(II)]-μ-nicotinato-κ^3^N:O,O']","","- C12 H12 Cd N2 O6 -","- C12 H12 Cd N2 O6 -","- C48 H48 Cd4 N8 O24 -","4","1","GA1055","Jian Zhang; Zhao-Ji Li; Yi-Hang Wen; Yao Kang; Ye-Yan Qin; Yuan-Gen Yao","<i>catena</i>-Poly[[diaqua(nicotinato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-nicotinato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']","Acta Crystallographica Section C","2004","60","8","m389","m391","10.1107/S0108270104010558","","","0.71073","MoKα","","","0.0385","","","0.0984","0.1175","","","","","","1.044","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014157","8.764","0.0004","12.109","0.0006","17.044","0.0008","90","","101.846","0.001","90","","1770.24","0.15","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[[[(1,10-phenanthroline-κ^2^N,N')zinc(II)]-μ~3~- 5-hydroxyisophthalato-κ^4^O'O':O'':O'''] monohydrate]","","- C20 H14 N2 O6 Zn -","- C20 H14 N2 O6 Zn -","- C80 H56 N8 O24 Zn4 -","4","1","GA1056","Cao, Xin-Yi; Zhang, Jian; Kang, Yao; Cheng, Jian-Kai; Li, Zhao-Ji; Wang, Xiao-Qin; Wen, Yi-Hang; Yao, Yuan-Gen","Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ~3~-5-hydroxyisophthalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'''] monohydrate]","Acta Crystallographica Section C","2004","60","7","m350","m352","10.1107/S010827010401056X","","","0.71073","MoKα","","0.0766","0.0551","","","0.1381","0.1556","","","","","","1.135","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014158","26.126","0.009","9.337","0.005","23.649","0.009","90","","122.48","0.05","90","","4867","5","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[N,N'-bis(diphenylmethylene)ethylenediamine-κ^2^N,N']copper(I) dichlorocuprate(I)","","- C56 H48 Cl2 Cu2 N4 -","- C56 H48 Cl2 Cu2 N4 -","- C224 H192 Cl8 Cu8 N16 -","4","0.5","GA1057","Mirkhani, Valiollah; Harkema, Sybolt; Kia, Reza","Bis[<i>N</i>,<i>N</i>'-bis(diphenylmethylene)ethylenediamine-κ^2^<i>N</i>,<i>N</i>']copper(I) dichlorocuprate(I)","Acta Crystallographica Section C","2004","60","7","m343","m344","10.1107/S0108270104012338","","","1.54184","CuKα","","","0.053","","","0.068","0.137","","","","","","1.55","","","","has coordinates,has Fobs","191976","2020-10-21","18:00:00",""
"2014159","7.1667","0.0001","15.1733","0.0002","11.8894","0.0002","90","","92.976","0.001","90","","1291.14","0.03","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,2-Bis(thiomethyl)-1,2-dicarba-closo-dodecaborane(12)","1,2-Bis(thiomethyl)-1,2-dicarba-closo-dodecaborane(12)","","- C4 H16 B10 S2 -","- C4 H16 B10 S2 -","- C16 H64 B40 S8 -","4","1","GA1059","Laromaine, Anna; Viñas, Clara; Sillanpää, Reijo; Kivekäs, Raikko","1,2-Bis(methylsulfanyl)-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","2004","60","7","o524","o526","10.1107/S0108270104013423","","","0.71073","Mokα","","0.0351","0.0321","","","0.0842","0.0863","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014160","6.4331","0.001","10.715","0.0015","12.299","0.002","75.054","0.012","82.12","0.012","77.258","0.011","796","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N^1^-(4-tert-Butylphenyl)-N^2^-hydroxy-α-oxo-α-phenylacetamidine","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","GA1061","Soylu, Serkan; Taş, Murat; Saraçoĝlu, Hanife; Batı, Hümeyra; Çalıs̨kan, Nezihe; Büyükgüngör, Orhan","<i>N</i>^1^-(4-<i>tert</i>-Butylphenyl)-<i>N</i>^2^-hydroxy-α-oxo-α-phenylacetamidine and <i>N</i>^2^-hydroxy-<i>N</i>^1^-(4-nitrophenyl)-α-oxo-α-phenylacetamidine hemihydrate","Acta Crystallographica Section C","2004","60","9","o702","o704","10.1107/S0108270104017366","","","0.71073","MoKα","","0.1432","0.0612","","","0.0938","0.1141","","","","","","0.951","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014161","6.8298","0.0005","15.5454","0.0015","26.097","0.002","90","","92.08","0.007","90","","2768.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^1^-(4-nitrophenyl)-N^2^-hydroxy-α-oxo-α-phenylacetamidine hemihydrate","","- C14 H12 N3 O4.5 -","- C14 H12 N3 O4.5 -","- C112 H96 N24 O36 -","8","2","GA1061","Soylu, Serkan; Taş, Murat; Saraçoĝlu, Hanife; Batı, Hümeyra; Çalıs̨kan, Nezihe; Büyükgüngör, Orhan","<i>N</i>^1^-(4-<i>tert</i>-Butylphenyl)-<i>N</i>^2^-hydroxy-α-oxo-α-phenylacetamidine and <i>N</i>^2^-hydroxy-<i>N</i>^1^-(4-nitrophenyl)-α-oxo-α-phenylacetamidine hemihydrate","Acta Crystallographica Section C","2004","60","9","o702","o704","10.1107/S0108270104017366","","","0.71073","MoKα","","0.1187","0.0364","","","0.0402","0.0465","","","","","","0.805","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014162","6.302","0.005","9.076","0.005","17.531","0.005","90","","90","","90","","1002.7","1","293","2","293","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C10 H8 N2 O5 -","- C10 H8 N2 O5 -","- C40 H32 N8 O20 -","4","0.5","GA1062","Uçar, İbrahim; Bulut, Ahmet; Yes̨ilel, Okan Zafer; Büyükgüngör, Orhan","Picolinamidium squarate and di-<i>p</i>-toluidinium squarate dihydrate","Acta Crystallographica Section C","2004","60","8","o585","o588","10.1107/S0108270104013964","","","0.71069","MoKα","","0.0371","0.0306","","","0.0825","0.0851","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014163","7.761","0.005","22.288","0.005","10.684","0.005","90","","90","","90","","1848.1","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C72 H96 N8 O24 -","4","0.5","GA1062","Uçar, İbrahim; Bulut, Ahmet; Yeşilel, Okan Zafer; Büyükgüngör, Orhan","Picolinamidium squarate and di-<i>p</i>-toluidinium squarate dihydrate","Acta Crystallographica Section C","2004","60","8","o585","o588","10.1107/S0108270104013964","","","0.71069","MoKα","","0.0806","0.0368","","","0.0823","0.0939","","","","","","0.835","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014164","8.7932","0.0018","9.4508","0.0019","22.629","0.005","89.95","0.03","82.97","0.03","82.84","0.03","1851.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(2,2':6',2''-terpyridine-κ^3^N)zinc(II) hexaoxo-μ-peroxo-disulfate(VI) dihydrate N,N-dimethylformamide solvate","","- C33 H33 N7 O11 S2 Zn -","- C33 H33 N7 O11 S2 Zn -","- C66 H66 N14 O22 S4 Zn2 -","2","1","GA1063","Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo","Three zinc(II) complexes presenting a ZnN~6~ chromophore and with peroxodisulfate as the counter-ion","Acta Crystallographica Section C","2004","60","8","m375","m381","10.1107/S0108270104014337","","","0.71073","MoKα","","0.1816","0.0579","","","0.1201","0.1554","","","","","","0.812","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014165","8.949","0.0018","9.782","0.002","43.031","0.009","90","","92.95","0.03","90","","3761.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[2,4,6-tris(2-pyridyl)-1,3,5-triazine-κ^2^N^2^,N^4^]zinc(II) hexaoxo-μ-peroxo-disulfate(VI) dihydrate","","- C36 H28 N12 O10 S2 Zn -","- C36 H28 N12 O10 S2 Zn -","- C144 H112 N48 O40 S8 Zn4 -","4","1","GA1063","Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo","Three zinc(II) complexes presenting a ZnN~6~ chromophore and with peroxodisulfate as the counter-ion","Acta Crystallographica Section C","2004","60","8","m375","m381","10.1107/S0108270104014337","","","0.71073","MoKα","","0.1398","0.051","","","0.103","0.1195","","","","","","0.829","","","","has coordinates,has disorder,has Fobs","203832","2020-10-21","18:00:00",""
"2014166","12.301","0.003","13.984","0.003","16.183","0.003","102.83","0.03","105.49","0.03","98.69","0.03","2549.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis[2,6-bis(2-benzimidazolyl)pyridine-κ^2^N^2^,N^6^]zinc(II) hexaoxo-μ-peroxo-disulfate(VI) N,N-dimethylformamide trisolvate","","- C47 H47 N13 O11 S2 Zn -","- C47 H45 N13 O11 S2 Zn -","- C94 H90 N26 O22 S4 Zn2 -","2","1","GA1063","Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo","Three zinc(II) complexes presenting a ZnN~6~ chromophore and with peroxodisulfate as the counter-ion","Acta Crystallographica Section C","2004","60","8","m375","m381","10.1107/S0108270104014337","","","0.71073","MoKα","","0.1884","0.058","","","0.178","0.1976","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014167","38.507","0.0003","5.68","0.0003","14.2961","0.0008","90","","108.366","0.002","90","","2967.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Benzidine penta-molybdate, 2[(C~12~H~13~N~2~)^+^].(Mo~5~O~16~)^2-^","","- C24 H26 Mo5 N4 O16 -","- C24 H26 Mo5 N4 O16 -","- C96 H104 Mo20 N16 O64 -","4","0.5","GD1318","Shu-Fang Zhang; Yan-Qiong Sun; Guo-Yu Yang","Bis[benzidinium(1‒)] pentamolybdate","Acta Crystallographica Section C","2004","60","7","m299","m301","10.1107/S010827010401090X","","","0.71073","MoKα","","0.0203","0.0189","","","0.0476","0.0486","","","","","","0.898","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014168","7.9407","0.0006","8.9815","0.0007","10.9523","0.001","91.072","0.01","91.061","0.01","101.29","0.009","765.67","0.11","193","1","193","1","","","","","","","","6","P -1","-P 1","2","","diaquabis(ethylenediamine-κ^2^N,N')copper(II)hexacyanoiron(II) tetrahydrate","","- C14 H47.74 Cu2 Fe N14 O7.86 -","- C14 H44.322 Cu2 Fe N14 O7.86 -","- C14 H44.322 Cu2 Fe N14 O7.86 -","1","0.5","GD1319","Kuchár, Juraj; Černák, Juraj; Massa, Werner","Hydrate isomerism in [Cu(en)~2~(H~2~O)~1.935~]~2~[Fe(CN)~6~]·4H~2~O","Acta Crystallographica Section C","2004","60","8","m418","m420","10.1107/S0108270104014581","","","0.71069","MoKα","","0.0344","0.0286","","","0.0707","0.0729","","","","","","0.992","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014169","12.2895","0.0016","20.015","0.003","13.4042","0.0018","90","","98.739","0.002","90","","3258.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dimethyl 10b'-(4-fluorostyryl)-8',9'-dimethoxy-4-nitro-5',6'-dihydro-spiro[9H- fluorene-9,1'(10b'H)-pyrrolo[2,1-a]isoquinoline]-2',3'-dicarboxylate","","- C38 H31 F N2 O8 -","- C38 H31 F N2 O8 -","- C152 H124 F4 N8 O32 -","4","1","GD1322","Li Feng; Zhi-Ming Li; Yong-Sheng Tan; Min-Qin Chen; Lin-Hong Weng; Feng-Gang Tao","A new photochromic tetrahydroindolizine","Acta Crystallographica Section C","2004","60","7","o473","o474","10.1107/S0108270104010583","","","0.71073","MoKα","","0.0671","0.0511","","","0.1306","0.1426","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014170","8.582","0.002","9.079","0.001","13.092","0.004","100.59","0.01","103.66","0.01","97.83","0.01","957","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","aqua(suberato)(hydrogen suberato)lanthanum(III)","catena-Poly[[aqualanthanum(III)]-μ-(8-carboxyoctanoato)-μ-octanedioato]","","- C16 H27 La O9 -","- C16 H27 La O9 -","- C32 H54 La2 O18 -","2","1","GD1323","Belkacem Benmerad; Achoura Guehria-Laïdoudi; Slimane Dahaoui; Claude Lecomte","The first suberate lanthanum(III) complex without uncoordinated water","Acta Crystallographica Section C","2004","60","8","m407","m409","10.1107/S0108270104014751","","","0.71073","MoKα","","0.0263","0.0229","","","0.0593","0.0604","","","","","","1.091","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014171","8.7922","0.0012","12.3094","0.0016","13.2806","0.0019","90","","90","","90","","1437.3","0.3","292","2","292","2","","","","","","","","5","I m m m","-I 2 2","71","","bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]","","- C16 H40 Cl6 N2 Pd2 -","- C16 H40 Cl6 N2 Pd2 -","- C32 H80 Cl12 N4 Pd4 -","2","0.125","GD1325","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Němec, Ivan","Two phases of bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]","Acta Crystallographica Section C","2004","60","9","m426","m430","10.1107/S0108270104016725","","","0.71069","MoKα","","0.0459","0.025","","","0.0642","0.0728","","","","","","1.61","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014172","8.7249","0.0012","12.238","0.003","13.062","0.002","90","","91.973","0.017","90","","1393.9","0.4","130","","230","0.2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]","","- C16 H40 Cl6 N2 Pd2 -","- C16 H40 Cl6 N2 Pd2 -","- C32 H80 Cl12 N4 Pd4 -","2","0.25","GD1325","Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Němec, Ivan","Two phases of bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]","Acta Crystallographica Section C","2004","60","9","m426","m430","10.1107/S0108270104016725","","","0.71069","MoKα","","0.085","0.0289","","","0.0606","0.0751","","","","","","1.15","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014173","7.3054","0.0004","22.7966","0.0011","10.5956","0.0008","90","","91.679","0.006","90","","1763.82","0.19","148","","148","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-dichloro-5,5'-dipropoxybenzidine","","- C18 H22 Cl2 N2 O2 -","- C18 H22 Cl2 N2 O2 -","- C72 H88 Cl8 N8 O8 -","4","1","GD1327","El-Shafei, Ahmed; Hinks, David; Boyle, Paul D.; Freeman, Harold S.","Non-mutagenic organic pigment intermediates. II. Isomorphous 2,2'-dichloro-5,5'-dipropoxybenzidine and 2,2'-dimethyl-5,5'-dipropoxybenzidine","Acta Crystallographica Section C","2004","60","8","o569","o571","10.1107/S0108270104014763","","","0.71073","MoKα","","0.03","0.03","","0.039","","0.039","","","","","","2.56","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014174","7.1703","0.0003","23.0083","0.0009","10.8483","0.0006","90","","91.704","0.003","90","","1788.92","0.14","148","","148","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,2'-dimethyl-5,5'-dipropoxybenzidine","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","GD1327","El-Shafei, Ahmed; Hinks, David; Boyle, Paul D.; Freeman, Harold S.","Non-mutagenic organic pigment intermediates. II. Isomorphous 2,2'-dichloro-5,5'-dipropoxybenzidine and 2,2'-dimethyl-5,5'-dipropoxybenzidine","Acta Crystallographica Section C","2004","60","8","o569","o571","10.1107/S0108270104014763","","","0.71073","MoKα","","0.081","0.051","","0.058","","0.056","","","","","","1.43","","","","has coordinates,has Fobs","191977","2020-10-21","18:00:00",""
"2014175","9.5785","0.0015","9.5785","0.0015","9.713","0.002","90","","90","","90","","891.1","0.3","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","Bis[1,3-bis(2-methyltetrazol-5-yl-κ^2^N^4^)triazenido-κN^2^]nickel(II)","","- C8 H12 N22 Ni -","- C8 H12 N22 Ni -","- C16 H24 N44 Ni2 -","2","0.25","GD1336","Lyakhov, Alexander S.; Gaponik, Pavel N.; Pytleva, Darya S.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis[1,3-bis(2-methyltetrazol-5-yl-κ<i>N</i>^4^)triazenido-κ<i>N</i>^2^]nickel(II)","Acta Crystallographica Section C","2004","60","9","m421","m422","10.1107/S0108270104016087","","","0.71073","MoKα","","0.0438","0.0394","","","0.1139","0.1205","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014176","14.49","0.003","4.147","0.0008","16.848","0.003","90","","90","","90","","1012.4","0.3","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-chloro-3,6-dimethoxy-2,5-dimethylbenzene","","- C10 H13 Cl O2 -","- C10 H13 Cl O2 -","- C40 H52 Cl4 O8 -","4","1","GG1216","Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Montoya, Crystal L.","1-Chloro-3,6-dimethoxy-2,5-dimethylbenzene and 1-chloro-3,6-dimethoxy-2,4-dimethylbenzene","Acta Crystallographica Section C","2004","60","7","o536","o538","10.1107/S0108270104013551","","","0.71073","MoKα","","0.0979","0.0633","","","0.1417","0.1627","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014177","6.074","0.0012","9.125","0.0018","9.445","0.0019","90","","103.11","0.03","90","","509.85","0.19","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-chloro-3,6-dimethoxy-2,4-dimethylbenzene","","- C10 H13 Cl O2 -","- C10 H13 Cl O2 -","- C20 H26 Cl2 O4 -","2","1","GG1216","Wiedenfeld, David J.; Nesterov, Vladimir N.; Minton, Mark A.; Montoya, Crystal L.","1-Chloro-3,6-dimethoxy-2,5-dimethylbenzene and 1-chloro-3,6-dimethoxy-2,4-dimethylbenzene","Acta Crystallographica Section C","2004","60","7","o536","o538","10.1107/S0108270104013551","","","0.71073","MoKα","","0.103","0.0514","","","0.1342","0.155","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014178","10.6052","0.0006","8.3553","0.0006","13.0588","0.001","90","","94.167","0.006","90","","1154.08","0.14","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-4-(4-Fluorophenyl)1-[2-hydroxy-2-(3-methyl-1-benzofuran-2- yl)ethyl]piperazinium chloride propan-1-ol solvate","","- C24 H32 Cl F N2 O3 -","- C24 H32 Cl F N2 O3 -","- C48 H64 Cl2 F2 N4 O6 -","2","1","GG1217","Kurfürst, Pavel; Marek, Jaromír; Vančo, Ján; Csöllei, Jozef","(<i>R</i>)-4-(4-Fluorophenyl)-1-[2-hydroxy-2-(3-methyl-1-benzofuran-2-yl)ethyl]piperazinium chloride propan-1-ol solvate","Acta Crystallographica Section C","2004","60","7","o494","o495","10.1107/S0108270104011369","","","0.71073","MoKα","","0.0259","0.0247","","","0.0655","0.0662","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014179","6.1514","0.0002","10.3171","0.0005","15.7351","0.0008","71.722","0.002","85.78","0.003","85.306","0.003","943.84","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-tert-Butyl-7,7-dimethyl-1-phenyl-5,6,7,8- tetrahydroimidazo[3,4-b]quinolin-5-one","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C44 H50 N6 O2 -","2","1","GG1220","Low, John N.; Cobo, Justo; Mera, Jaime; Quiroga, Jairo; Glidewell, Christopher","3-<i>tert</i>-Butyl-7,7-dimethyl-1-phenyl-5,6,7,8-tetrahydroimidazo[3,4-<i>b</i>]quinolin-5-one and 2,8,8-trimethyl-5-phenyl-6,7,8,9-tetrahydroimidazo[2,3-<i>a</i>]quinolin-6-one: chains generated by C—H···N hydrogen bonds","Acta Crystallographica Section C","2004","60","7","o479","o482","10.1107/S0108270104011291","","","0.71073","MoKα","","0.1123","0.0592","","","0.1367","0.16","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014180","7.7988","0.0003","17.095","0.0006","12.0231","0.0003","90","","108.8","0.0018","90","","1517.41","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,8,8-Trimethyl-5-phenyl-6,7,8,9-tetrahydroimidazo[2,3-a]quinolin-6-one","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","GG1220","Low, John N.; Cobo, Justo; Mera, Jaime; Quiroga, Jairo; Glidewell, Christopher","3-<i>tert</i>-Butyl-7,7-dimethyl-1-phenyl-5,6,7,8-tetrahydroimidazo[3,4-<i>b</i>]quinolin-5-one and 2,8,8-trimethyl-5-phenyl-6,7,8,9-tetrahydroimidazo[2,3-<i>a</i>]quinolin-6-one: chains generated by C—H···N hydrogen bonds","Acta Crystallographica Section C","2004","60","7","o479","o482","10.1107/S0108270104011291","","","0.71073","MoKα","","0.0804","0.0511","","","0.1201","0.1342","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014181","8.447","0.002","13.051","0.002","13.218","0.002","102.11","0.02","91.61","0.02","96.81","0.02","1412.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","manganium phthalocyanine","Iodo[phthalocyaninato(2-)]manganese(III) hemi(diiodine)","","- C64 H32 I4 Mn2 N16 -","- C64 H32 I4 Mn2 N16 -","- C64 H32 I4 Mn2 N16 -","1","0.5","GG1221","Janczak, Jan","Iodo[phthalocyaninato(2‒)]manganese(III) bridged by a neutral I~2~ molecule","Acta Crystallographica Section C","2004","60","7","m330","m332","10.1107/S0108270104012387","","","0.71073","MoKα","","0.0922","0.0564","","","0.0688","0.0792","","","","","","1.003","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2014182","4.4395","0.0007","7.4724","0.0007","17.972","0.003","90","","91.304","0.013","90","","596.04","0.15","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N'-Bis[1-(pyrazin-2-yl)ethylidene]hydrazine","","- C12 H12 N6 -","- C12 H12 N6 -","- C24 H24 N12 -","2","0.5","HJ1007","Şengül, Abdurrahman; Karadayı, Nevzat; Büyükgüngör, Orhan","<i>N</i>,<i>N</i>'-Bis[1-(pyrazin-2-yl)ethylidene]hydrazine","Acta Crystallographica Section C","2004","60","7","o507","o508","10.1107/S010827010401220X","","","0.71073","MoKα","","0.0523","0.0385","","","0.1066","0.1116","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014183","11.3624","0.0003","35.224","0.001","13.718","0.0004","90","","96.991","0.002","90","","5449.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","t-butyl-Calix[4]arene-diacid","(5,11,17,23-Tetra-tert-butyl-26,28-dihydroxycalix[4]arene-25,27-dioxy)diacetic acid N,N-dimethylformamide trisolvate","","- C57 H81 N3 O11 -","- C57 H81 N3 O11 -","- C228 H324 N12 O44 -","4","1","HJ1009","Schlientz, Leah M.; Hagen, Karl S.","(5,11,17,23-Tetra-<i>tert</i>-butyl-26,28-dihydroxycalix[4]arene-25,27-dioxy)diacetic acid <i>N</i>,<i>N</i>-dimethylformamide trisolvate","Acta Crystallographica Section C","2004","60","7","o533","o535","10.1107/S010827010401323X","","","1.54178","CuKα","","0.0606","0.0435","","","0.1195","0.1269","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014184","6.8229","0.0005","8.9565","0.0011","20.31","0.006","90","","90","","90","","1241.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N6 O4 -","- C11 H12 N6 O4 -","- C44 H48 N24 O16 -","4","1","HJ1011","Lin, Wenqing; Seela, Frank; Eickmeier, Henning; Reuter, Hans","1,<i>N</i>^6^-Etheno derivative of 7-deaza-2,8-diazaadenosine","Acta Crystallographica Section C","2004","60","8","o566","o568","10.1107/S010827010401409X","","","0.71073","MoKα","","0.0597","0.0435","","","0.1037","0.1141","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014185","8.3619","0.0015","9.4973","0.0018","12.349","0.002","83.167","0.003","76.646","0.004","66.027","0.003","871.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(acetato-κ^2^O,O')(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')mercury(II)","","- C18 H18 Hg N2 O4 -","- C18 H6 Hg N2 O4 -","- C36 H12 Hg2 N4 O8 -","2","1","HJ1012","Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')mercury(II) in two differently hydrated crystal forms","Acta Crystallographica Section C","2004","60","8","m382","m385","10.1107/S0108270104014131","","","0.71073","MoKα","","0.1106","0.0501","","","0.0729","0.0842","","","","","","0.807","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014186","13.738","0.003","14.076","0.003","20.615","0.004","93.11","0.03","90.85","0.03","118.93","0.03","3480","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tris[bis(acetato-κ^2^O,O')(2,9-dimethyl-1,10-phenanthroline- κ^2^N,N')mercury(II)] hexadecahydrate","","- C54 H86 Hg3 N6 O28 -","- C54 H18 Hg3 N6 O28 -","- C108 H36 Hg6 N12 O56 -","2","1","HJ1012","Harvey, Miguel Angel; Baggio, Sergio; Ibañez, Andrés; Baggio, Ricardo","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')mercury(II) in two differently hydrated crystal forms","Acta Crystallographica Section C","2004","60","8","m382","m385","10.1107/S0108270104014131","","","0.71073","MoKα","","0.0825","0.0446","","","0.1011","0.1144","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014187","13.1572","0.0019","13.1572","0.0019","7.7434","0.0015","90","","90","","120","","1160.9","0.3","293","2","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B3 O6 Rb3 -","- B3 O6 Rb3 -","- B18 O36 Rb18 -","6","0.166667","IZ1042","Sabine Schmid; Wolfgang Schnick","Rubidium metaborate, Rb~3~B~3~O~6~","Acta Crystallographica Section C","2004","60","7","i69","i70","10.1107/S0108270104010066","","","0.71073","MoKα","","","0.0194","","","","0.0462","","","","","","1.221","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014188","14.6525","0.0013","14.6357","0.0008","6.1793","0.0005","90","","93.801","0.01","90","","1322.23","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2, 2, 6, 6-Tetramethylpiperidin-1-yloxy)propane-1,3-diol","","- C12 H25 N O3 -","- C12 H25 N O3 -","- C48 H100 N4 O12 -","4","1","JZ1616","Schmittel, Michael; Lal, Mukul; Schlosser, Marc; Deiseroth, Hans-Jörg","A supramolecular ladder motif in 2-(2,2,6,6-tetramethylpiperidin-1-yloxy)propane-1,3-diol","Acta Crystallographica Section C","2004","60","8","o589","o591","10.1107/S0108270104014647","","","0.71073","MoKα","","0.0663","0.0364","","","0.0846","0.093","","","","","","0.926","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014189","7.264","0.002","11.669","0.004","12.745","0.003","95.91","0.02","104.37","0.02","92.93","0.03","1037.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[bis(cis-4-phenyltetrazole-κN^1^)copper(II)]-di-μ-chloro] 1-phenyltetrazole hemisolvate]","","- C17.5 H15 Cl2 Cu N10 -","- C17.5 H15 Cl2 Cu N10 -","- C35 H30 Cl4 Cu2 N20 -","2","1","JZ1625","Ivashkevich, Dmitry O.; Lyakhov, Alexander S.; Degtyarik, Mikhail M.; Gaponik, Pavel N.","<i>catena</i>-Poly[[[<i>cis</i>-bis(1-phenyltetrazole-κ<i>N</i>^4^)copper(II)]-di-μ-chloro] hemi(1-phenyltetrazole)]","Acta Crystallographica Section C","2004","60","8","m368","m370","10.1107/S0108270104014428","","","0.71073","MoKα","","0.041","0.0372","","","0.1069","0.111","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014190","10.01","0.002","11.9","0.002","11.92","0.002","76.51","0.03","70.23","0.03","78.13","0.03","1286.8","0.5","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 Fe3 O2 P -","- C30 H29 Fe3 O2 P -","- C60 H58 Fe6 O4 P2 -","2","1","JZ1629","Muller, Alfred; Steyl, Gideon; Roodt, Andreas","Triferrocenylphosphine oxide monohydrate","Acta Crystallographica Section C","2004","60","8","m386","m388","10.1107/S0108270104014908","","","0.71073","MoKα","","","0.0283","","","","0.0728","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014191","9.0937","0.0011","5.6809","0.0006","10.383","0.0011","90","","90","","90","","536.39","0.1","193","2","193","2","","","","","","","","5","P m n 21","P 2ac -2","31","","4-(Trimethylammonio)phenyl-4-thiosulfate","","- C9 H13 N O3 S2 -","- C9 H13 N O3 S2 -","- C18 H26 N2 O6 S4 -","2","0.5","JZ1631","Chen, Jin-Xiang; Xu, Qing-Feng; Zhang, Yong; Zain, Sharifuddin M.; Ng, Seik Weng; Lang, Jian-Ping","<i>S</i>-[4-(Trimethylammonio)phenyl]thiosulfate, an aromatic organic thiosulfate","Acta Crystallographica Section C","2004","60","8","o572","o574","10.1107/S010827010401443X","","","0.7107","MoKα","","0.0241","0.0234","","","0.0593","0.0598","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014192","6.9636","0.0016","14.819","0.003","10.256","0.002","90","","96.702","0.005","90","","1051.1","0.4","193.15","0.02","193.15","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[diazidomanganese(II)]-di-μ-1,2-bis(imidazol-1-yl)ethane]","","- C16 H20 Mn N14 -","- C16 H20 Mn N14 -","- C32 H40 Mn2 N28 -","2","0.5","JZ1634","Li, Bao-Long; Zhu, Xia; Zhou, Jun-Hui; Zhang, Yong","A novel two-dimensional Mn^II^ coordination polymer with 1,2-bis(imidazol-1-yl)ethane","Acta Crystallographica Section C","2004","60","8","m373","m374","10.1107/S0108270104014453","","","0.71073","MoKα","","0.0436","0.0395","","","0.0851","0.0871","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014193","7.3485","0.0004","10.2458","0.0006","10.5738","0.0006","67.725","0.001","74.742","0.001","70.468","0.001","685.76","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","trans-bis(N-propyl-N'-benzoylthiourea)diiodoplatinum(II)","trans-diiodobis(N-propyl-N'-benzoylthiourea-κS)platinum(II)","","- C22 H28 I2 N4 O2 Pt S2 -","- C22 H28 I2 N4 O2 Pt S2 -","- C22 H28 I2 N4 O2 Pt S2 -","1","0.5","JZ1636","Westra, Arjan N.; Esterhuysen, Catharine; Koch, Klaus R.","Intramolecular hydrogen-bond-directed coordination: <i>trans</i>-bis(<i>N</i>-benzoyl-<i>N</i>'-propylthiourea-κ<i>S</i>)diiodoplatinum(II) and <i>trans</i>-bis(<i>N</i>-benzoyl-<i>N</i>'-propylthiourea-κ<i>S</i>)dibromoplatinum(II)","Acta Crystallographica Section C","2004","60","8","m395","m398","10.1107/S0108270104014933","","","0.71073","MoKα","","0.0151","0.0151","","","0.0373","0.0373","","","","","","1.057","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014194","8.6641","0.0011","8.8178","0.0011","9.7472","0.0012","104.609","0.002","112.263","0.002","98.663","0.002","641.18","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","trans-bis(N-propyl-N'-benzoylthiourea)dibromoplatinum(II)","trans-dibromobis(N-propyl-N'-benzoylthiourea-κS)platinum(II)","","- C22 H28 Br2 N4 O2 Pt S2 -","- C22 H28 Br2 N4 O2 Pt S2 -","- C22 H28 Br2 N4 O2 Pt S2 -","1","0.5","JZ1636","Westra, Arjan N.; Esterhuysen, Catharine; Koch, Klaus R.","Intramolecular hydrogen-bond-directed coordination: <i>trans</i>-bis(<i>N</i>-benzoyl-<i>N</i>'-propylthiourea-κ<i>S</i>)diiodoplatinum(II) and <i>trans</i>-bis(<i>N</i>-benzoyl-<i>N</i>'-propylthiourea-κ<i>S</i>)dibromoplatinum(II)","Acta Crystallographica Section C","2004","60","8","m395","m398","10.1107/S0108270104014933","","","0.71073","MoKα","","0.0248","0.0239","","","0.0598","0.0603","","","","","","1.062","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014195","16.069","0.002","16.069","0.002","11.836","0.004","90","","90","","90","","3056.2","1.2","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Hexa-μ~2~-chloro-μ~4~-oxo-tetrakis[(2-ethyltetrazole-kN^4^)copper(II)]","","- C12 H24 Cl6 Cu4 N16 O -","- C12 H24 Cl6 Cu4 N16 O -","- C48 H96 Cl24 Cu16 N64 O4 -","4","0.25","JZ1637","Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.","Hexa-μ~2~-chloro-μ~4~-oxo-tetrakis[(2-ethyltetrazole-κ<i>N</i>^4^)copper(II)]","Acta Crystallographica Section C","2004","60","8","m399","m401","10.1107/S0108270104014921","","","0.71073","MoKα","","0.0403","0.0337","","","0.0879","0.0925","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014196","9.894","0.002","9.887","0.002","20.016","0.004","90","","90.909","0.004","90","","1957.8","0.7","299","2","299","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetraaqua(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^N,N')zinc(II) thiosulfate","","- C16 H24 N2 O7 S2 Zn -","- C16 H24 N2 O7 S2 Zn -","- C64 H96 N8 O28 S8 Zn4 -","4","1","JZ1648","M. Enriqueta Díaz de Vivar; Sergio Baggio; Andrés Ibañez; Ricardo Baggio","Tetraaqua(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) thiosulfate","Acta Crystallographica Section C","2004","60","9","m451","m453","10.1107/S0108270104018219","","","0.71073","MoKα","","0.1258","0.0531","","","0.1306","0.1407","","","","","","0.812","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014197","18.737","0.003","3.727","0.001","16.617","0.002","90","","114.57","0.02","90","","1055.3","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C3 H3 N3 O2 S -","- C3 H3 N3 O2 S -","- C24 H24 N24 O16 S8 -","8","2","NA1637","Jacek Zaleski; Grzegorz Spaleniak; Kyzioł, Janusz B.","<i>N</i>-(3<i>H</i>-Thiazol-2-ylidene)nitramine and <i>N</i>-methyl-<i>N</i>-(thiazol-2-yl)nitramine","Acta Crystallographica Section C","2004","60","9","o627","o629","10.1107/S0108270104001428","","","0.71073","MoKα","","0.0536","0.0326","","","0.079","0.093","","","","","","1.041","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014198","8.667","0.002","11.473","0.002","12.919","0.003","90","","96.8","0.03","90","","1275.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N3 O2 S -","- C4 H5 N3 O2 S -","- C32 H40 N24 O16 S8 -","8","2","NA1637","Jacek Zaleski; Grzegorz Spaleniak; Kyzioł, Janusz B.","<i>N</i>-(3<i>H</i>-Thiazol-2-ylidene)nitramine and <i>N</i>-methyl-<i>N</i>-(thiazol-2-yl)nitramine","Acta Crystallographica Section C","2004","60","9","o627","o629","10.1107/S0108270104001428","","","0.71073","MoKα","","0.0615","0.029","","","0.0727","0.0955","","","","","","1.058","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014199","9.871","0.002","13.119","0.003","13.438","0.003","88.421","0.003","84.029","0.002","84.05","0.003","1721.2","0.7","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","Hexaaquamagnesium(II) (μ-2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4- chlorophenolato)bis[diaquamagnesium(II)] decahydrate","","- C32 H96 Cl2 Mg5 N4 O52 -","- C32 H96 Cl2 Mg5 N4 O52 -","- C32 H96 Cl2 Mg5 N4 O52 -","1","0.5","NA1658","Gao, Fei; Meng, Bian-Hong; Wei, Yi-Bin","Hemi[hexaaquamagnesium(II)] (μ-2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolato)bis[diaquamagnesium(II)] decahydrate","Acta Crystallographica Section C","2004","60","7","m360","m362","10.1107/S0108270104012867","","","0.71073","MoKα","","0.0608","0.0495","","","0.1303","0.1372","","","","","","1.053","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2014200","8.806","0.0018","12.097","0.002","14.809","0.003","90","","105.88","0.03","90","","1517.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Benzoyl-N-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide","","- C17 H14 N4 O S -","- C17 H14 N4 O S -","- C68 H56 N16 O4 S4 -","4","1","NA1659","Fangfang Jian; Hailian Xiao; Yongqi Qin; Liangzhong Xu","2-Benzoyl-<i>N</i>-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide and 2-(4-methoxybenzoyl)-<i>N</i>-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide","Acta Crystallographica Section C","2004","60","7","o492","o493","10.1107/S0108270104012351","","","0.71073","MoKα","","0.0634","0.0404","","","0.0956","0.103","","","","","","1.093","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014201","9.806","0.002","11.677","0.002","16.002","0.005","90","","112.55","0.02","90","","1692.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-methoxybenzoyl)-N-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide","","- C18 H16 N4 O2 S -","- C18 H16 N4 O2 S -","- C72 H64 N16 O8 S4 -","4","1","NA1659","Fangfang Jian; Hailian Xiao; Yongqi Qin; Liangzhong Xu","2-Benzoyl-<i>N</i>-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide and 2-(4-methoxybenzoyl)-<i>N</i>-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide","Acta Crystallographica Section C","2004","60","7","o492","o493","10.1107/S0108270104012351","","","0.71073","MoKα","","0.1268","0.078","","","0.2146","0.2401","","","","","","1.122","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014202","8.6797","0.0017","8.7749","0.0018","10.057","0.002","96.09","0.03","100.55","0.03","100.89","0.03","731.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(μ-dihydrogen phosphato-κO:O')bis[(bipyridine-κ^2^N,N')(dihydrogen phosphato-κO)cobalt(II)]","","- C20 H24 Co2 N4 O16 P4 -","- C20 H24 Co2 N4 O16 P4 -","- C20 H24 Co2 N4 O16 P4 -","1","0.5","NA1662","Jian, Fang-Fang; Tong, Yu-Ping; Xiao, Hai-Lian; Sun, Ping-Ping; Zhao, Pu-Su","A dinuclear Co^II^ complex: bis(μ-dihydrogen phosphato-κ^2^<i>O</i>:<i>O</i>')bis[(bipyridine-κ^2^<i>N</i>,<i>N</i>')(dihydrogen phosphato-κ<i>O</i>)cobalt(II)]","Acta Crystallographica Section C","2004","60","7","m348","m349","10.1107/S0108270104013022","","","0.71073","MoKα","","0.0492","0.04","","","0.0869","0.091","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014203","9.98","0.002","11.853","0.003","14.575","0.004","90","","94.147","0.004","90","","1719.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 2-benzyl-2-(formylamino)-3-phenylpropionate","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","NA1665","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha","Conformational switching caused by biphenyl substitution at the C^{α^} position: ethyl 2-benzyl-2-(formylamino)-3-phenylpropionate and ethyl 3-(1,1'-biphenyl-4-yl)-2-(formylamino)-2-(4-phenylbenzyl)propionate","Acta Crystallographica Section C","2004","60","7","o527","o530","10.1107/S0108270104013150","","","0.71073","MoKα","","0.1051","0.0615","","","0.1394","0.1613","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","211196","2020-10-21","18:00:00",""
"2014204","26.761","0.005","10.9424","0.0019","8.5818","0.0015","90","","95.068","0.003","90","","2503.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 3-(1,1'-biphenyl-4-yl)-2-(formylamino)-2-(4-phenylbenzyl)propionate","","- C31 H29 N O3 -","- C31 H29 N O3 -","- C124 H116 N4 O12 -","4","1","NA1665","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha","Conformational switching caused by biphenyl substitution at the C^{α^} position: ethyl 2-benzyl-2-(formylamino)-3-phenylpropionate and ethyl 3-(1,1'-biphenyl-4-yl)-2-(formylamino)-2-(4-phenylbenzyl)propionate","Acta Crystallographica Section C","2004","60","7","o527","o530","10.1107/S0108270104013150","","","0.71073","MoKα","","0.1716","0.0796","","","0.1325","0.1611","","","","","","1.054","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2014205","9.928","0.0008","19.9509","0.0017","9.5841","0.0014","90","","107.875","0.009","90","","1806.7","0.4","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Benzoylamino-3-bromo-4-(4-methoxy-phenyl)-4,5-dihydro-isoxazole- 5-carboxylic acid","","- C18 H15 Br N2 O5 -","- C18 H15 Br N2 O5 -","- C72 H60 Br4 N8 O20 -","4","1","NA1666","Bruno, Giuseppe; Rotondo, Archimede; Grassi, Giovanni; Foti, Francesco; Risitano, Francesco; Nicoló, Francesco","5-Benzoylamino-3-bromo-4-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid","Acta Crystallographica Section C","2004","60","7","o496","o497","10.1107/S010827010401265X","","","0.71073","MoKα","","","0.0587","","","","0.1492","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014206","12.8717","0.0017","11.5173","0.0012","12.6441","0.0013","90","","120.507","0.012","90","","1615","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Dichloro(norbornadiene)platinum(II)","(bicyclo[2.2.1]hepta-2,5-diene)dichloroplatinum(II)","","- C7 H8 Cl2 Pt -","- C7 H8 Cl2 Pt -","- C56 H64 Cl16 Pt8 -","8","1","NA1667","Butikofer, Jeffrey L.; Kalberer, Eric W.; Schuster, William C.; Roddick, Dean M.","Dichloro(norbornadiene)platinum(II): a comparison with dichloro(cyclooctadiene)platinum(II)","Acta Crystallographica Section C","2004","60","7","m353","m354","10.1107/S0108270104012491","","","0.71073","MoKα","","0.0441","0.0352","","","0.0849","0.09","","","","","","1.056","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014207","13.2826","0.0005","8.7162","0.0003","12.7914","0.0004","90","","111.483","0.0017","90","","1378.03","0.08","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N-Benzo[b]thiophen-3-ylmethylene-N-(2,5-dichloro-phenyl)hydrazine","","- C15 H10 Cl2 N2 S -","- C15 H10 Cl2 N2 S -","- C60 H40 Cl8 N8 S4 -","4","1","NA1668","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-<i>N</i>-[(Benzo[<i>b</i>]thiophen-3-yl)methylene]-<i>N</i>'-(2,5-dichlorophenyl)hydrazine","Acta Crystallographica Section C","2004","60","8","o550","o551","10.1107/S0108270104013873","","","0.71073","MoKα","","0.1015","0.0503","","","0.1043","0.1206","","","","","","1.421","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014208","17.3805","0.0003","14.8094","0.0002","11.0596","0.0002","90","","90.7798","0.0006","90","","2846.42","0.08","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,5-Dichlorophenyl)-3-methyl-5-phenyl-1H-pyrazole","","- C16 H12 Cl2 N2 -","- C16 H12 Cl2 N2 -","- C128 H96 Cl16 N16 -","8","2","NA1669","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","1-(2,5-Dichlorophenyl)-3-methyl-5-phenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2004","60","8","o547","o549","10.1107/S0108270104013848","","","0.71073","MoKα","","0.0547","0.0351","","","0.082","0.0889","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014209","19.4758","0.0009","12.2344","0.0006","22.1493","0.001","90","","100.38","0.005","90","","5191.2","0.4","173","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3,4,5,5-tetraphenyl-1,3-thiazolidine-2,2-dicarboxylate","","- C31 H27 N O4 S -","- C31 H27 N O4 S -","- C248 H216 N8 O32 S8 -","8","2","NA1671","Domagała, Małgorzata; Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Urbaniak, Katarzyna; Mlostoń, Grzegorz; Grabowski, Sławomir J.","Dimethyl 3,4,5,5-tetraphenyl-1,3-thiazolidine-2,2-dicarboxylate and 3,3-dichloro-2,2,4,4,3'-pentamethyl-<i>r</i>-2',<i>t</i>-4'-diphenylcyclobutane-1-spiro-5'-1,3-thiazolidine","Acta Crystallographica Section C","2004","60","8","o595","o599","10.1107/S0108270104015045","","","0.71073","MoKα","","","0.0367","","","","0.0918","","","","","","0.91","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014210","11.3371","0.0008","12.7769","0.0009","29.1481","0.0018","90","","90","","90","","4222.2","0.5","173","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,3-dichloro-2,2,4,4,3'-pentamethyl-r-2',t-4'-diphenylcyclobutane-1-spiro-5'- 1,3-thiazolidine","","- C23 H27 Cl2 N S -","- C23 H27 Cl2 N S -","- C184 H216 Cl16 N8 S8 -","8","1","NA1671","Domagała, Małgorzata; Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Urbaniak, Katarzyna; Mlostoń, Grzegorz; Grabowski, Sławomir J.","Dimethyl 3,4,5,5-tetraphenyl-1,3-thiazolidine-2,2-dicarboxylate and 3,3-dichloro-2,2,4,4,3'-pentamethyl-<i>r</i>-2',<i>t</i>-4'-diphenylcyclobutane-1-spiro-5'-1,3-thiazolidine","Acta Crystallographica Section C","2004","60","8","o595","o599","10.1107/S0108270104015045","","","0.71073","MoKα","","","0.0326","","","","0.0802","","","","","","0.924","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014211","11.7497","0.0002","14.054","0.0003","17.9014","0.0004","70.154","0.001","78.165","0.001","81.29","0.001","2710.63","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","di-μ-cyano-1:2κ^2^C:N;1:3κ^2^C:N-tetracyano-1κ^4^N-bis(13-ethyl-5,7,7- trimethyl-13-nitro-1,4,8,11-tetraazacyclotetradec-4-ene)- 2κ^4^N^1^,N^4^,N^8^,N^11^;3κ^4^N^1^,N^4^,N^8^,N^11^-dicopper(II)nickel(II) diaqua-1,3κ^2^O-di-μ-cyano-1:2κ^2^C:N;1:3κ^2^C:N-tetracyano-1κ^4^N- bis(13-ethyl-5,7,7-trimethyl-13-nitro-1,4,8,11-tetraazacyclotetradec-4-ene)- 2κ^4^N^1^,N^4^,N^8^,N^11^;3κ^4^N^1^,N^4^,N^8^,N^11^-dicopper(II)nickel(II) bis[tetracyanonickelate(II)] octahydrate","","- C76 H144 Cu4 N36 Ni4 O18 -","- C76 H144 Cu4 N36 Ni4 O18 -","- C76 H144 Cu4 N36 Ni4 O18 -","1","0.5","NA1674","Neil F. Curtis; Horst Puschman","A compound of a novel tetraaza-macrocycle with trinuclear tetracyanonickelate-bridged cations","Acta Crystallographica Section C","2004","60","8","m410","m413","10.1107/S0108270104015483","","","0.71073","MoKα","","0.1007","0.0628","","","0.1432","0.1622","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014212","9.045","0.002","11.647","0.003","12.225","0.002","103.663","0.017","107.458","0.019","109.78","0.02","1071.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl4 N5 O2 P3 -","- C14 H14 Cl4 N5 O2 P3 -","- C28 H28 Cl8 N10 O4 P6 -","2","1","OB1177","Çaylak, Nagihan; Hökelek, Tuncer; Bilge, Selen; Özgüç, Bilgehan; Kılıç, Zeynel","4,4,6,6-Tetrachloro-2,2-(ethylenedioxydi-<i>o</i>-phenylenediimino)-2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene","Acta Crystallographica Section C","2004","60","7","o461","o463","10.1107/S0108270104010169","","","0.71073","MoKα","","0.0937","0.056","","","0.1514","0.1724","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014213","8.4789","0.0017","9.5233","0.0011","10.3607","0.0017","108.811","0.009","92.172","0.013","105.561","0.013","755.8","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-methylimidazolium) hydroxodiphosphatoaluminium","","- C8 H15 Al N4 O8 P2 -","- C8 H15 Al N4 O8 P2 -","- C16 H30 Al2 N8 O16 P4 -","2","1","OB1178","Junya Takashima; Kazumasa Sugiyama; Tokuhei Tagai; Osamu Terasaki; Jihong Yu","Bis(2-methylimidazolium) hydroxodiphosphatoaluminium","Acta Crystallographica Section C","2004","60","7","m333","m334","10.1107/S0108270104011990","","","0.71069","MoKα","","0.0844","0.0518","","","0.1149","0.1298","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014214","10.577","0.002","8.112","0.002","19.661","0.004","90","","105.6","0.03","90","","1624.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[diaquabis(2-chloronicotinato)cadmium(II)]","","- C12 H10 Cd Cl2 N2 O6 -","- C12 H10 Cd Cl2 N2 O6 -","- C48 H40 Cd4 Cl8 N8 O24 -","4","1","OB1179","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Ng, Seik Weng; Sun, Zhi-Zhong; Gao, Jin-Sheng","<i>catena</i>-Poly[[diaquabis(2-chloronicotinato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-2-chloronicotinato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>]","Acta Crystallographica Section C","2004","60","8","m363","m365","10.1107/S0108270104013435","","","0.71073","MoKα","","0.033","0.03","","","0.076","0.078","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014215","13.606","0.008","16.379","0.009","14.289","0.009","90","","104.118","0.007","90","","3088","3","150.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Mn2 N6 O8 -","- C32 H28 Mn2 N6 O8 -","- C128 H112 Mn8 N24 O32 -","4","0.5","OB1180","Bian, Guo-Qing; Kuroda-Sowa, Takayoshi; Konaka, Hisashi; Maekawa, Masahiko; Munakata, Megumu","Bis(μ-6-hydroxypicolinato)-μ-oxo-bis[dipyridinemanganese(III)] monohydrate","Acta Crystallographica Section C","2004","60","7","m338","m340","10.1107/S0108270104012624","","","0.7107","MoKα","","","0.0495","","","","0.1091","","","","","","1.116","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014216","8.9834","0.0001","9.511","0.0002","11.9857","0.0002","82.131","0.002","87.598","0.001","81.992","0.002","1004.26","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4',4',6',6'-Tetrachloro-3,4-dihydro-3-(6-methylpyridin-2-yl)spiro[1,3,2- benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)]","","- C13 H12 Cl4 N5 O P3 -","- C13 H12 Cl4 N5 O P3 -","- C26 H24 Cl8 N10 O2 P6 -","2","1","OB1184","Tercan, Barış; Hökelek, Tuncer; Dal, Hakan; Süzen, Yasemin; Kılıç, Zeynel","4',4',6',6'-Tetrachloro-3,4-dihydro-3-(6-methylpyridin-2-yl)spiro[1,3,2-benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)]","Acta Crystallographica Section C","2004","60","9","o639","o641","10.1107/S0108270104016518","","","1.54184","CuKα","","0.0787","0.0631","","","0.152","0.1659","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014217","16.392","0.003","16.392","0.003","22.784","0.006","90","","90","","90","","6122","2","296.2","","","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C12 H40 Br4 Ir2 N6 O2 S6 -","- C12 H40 Br4 Ir2 N6 O2 S6 -","- C96 H320 Br32 Ir16 N48 O16 S48 -","8","0.5","OB1185","Mitsuharu Fujita; Yoshitaro Miyashita; Nagina Amir; Yasunori Yamada; Kiyoshi Fujisawa; Ken-ichi Okamoto","Bis(μ-cystamine-κ^4^<i>N</i>,<i>S</i>:<i>S</i>',<i>N</i>')bis[(2-aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)iridium(III)] tetrabromide dihydrate","Acta Crystallographica Section C","2004","60","9","m435","m436","10.1107/S0108270104016816","","","0.7107","MoKα","","","0.0465","","","","0.117","","","","","","1.012","","","","has coordinates,has Fobs","199684","2020-10-21","18:00:00",""
"2014218","6.8414","0.0006","10.7408","0.0009","10.7597","0.0009","64.042","0.002","77.298","0.002","72.81","0.002","675.34","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis[μ-6-(ethoxycarbonyl)pyridine-2-carboxylato]- 1:2κ^4^O^6^,N,O^2^:O^2^;1:2κ^4^O^2^:O^2^,N,O^6^-bis[diaquachlorocadmium(II)] dihydrate","","- C18 H28 Cd2 Cl2 N2 O14 -","- C18 H28 Cd2 Cl2 N2 O14 -","- C18 H28 Cd2 Cl2 N2 O14 -","1","0.5","OB1187","Yang, E.; Li, Zhao-Ji; Zhang, Jian; Chen, Yu-Biao; Yao, Yuan-Gen","Bis(μ-ethyl pyridine-2,6-dicarboxylato)bis[diaquachlorocadmium(II)] dihydrate","Acta Crystallographica Section C","2004","60","9","m457","m459","10.1107/S0108270104017378","","","0.71073","MoKα","","","0.0327","","","0.0838","0.0892","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014219","8.8356","0.0007","5.752","0.0005","30.803","0.002","90","","95.821","0.006","90","","1557.4","0.2","250","","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-1-phenyl-3-[1-hydroxyimino-2-(succinimido)ethyl]cyclobutane","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","OB1188","Dinçer, Muharrem; Özdemir, Namık; Yılmaz, İbrahim; Çukurovalı, Alaaddin; Büyükgüngör, Orhan","1-Methyl-1-phenyl-3-[1-hydroxyimino-2-(succinimido)ethyl]cyclobutane","Acta Crystallographica Section C","2004","60","9","o674","o676","10.1107/S0108270104018074","","","0.71073","MoKα","","0.0649","0.0571","","","0.1396","0.1458","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014220","9.0221","0.0014","9.1427","0.0014","11.9077","0.0018","85.111","0.002","68.812","0.002","78.911","0.002","898.6","0.2","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","1-(n-hexyl)-3-methyl-4-(1-phenylaminopropylidene)-2-pyrazolin-5-one","","- C19 H27 N3 O -","- C19 H27 N3 O -","- C38 H54 N6 O2 -","2","1","OB1196","Belmar, Julio; Pérez, Fredy R.; Moreno, Yanko; Baggio, Ricardo","Two enamines derived from 1-<i>n</i>-alkyl-3-methylpyrazol-5-ones","Acta Crystallographica Section C","2004","60","9","o705","o708","10.1107/S0108270104018736","","","0.71073","MoKα","","0.0773","0.0488","","","0.133","0.1584","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014221","8.0168","0.0013","9.5029","0.0015","10.7032","0.0017","71.357","0.002","86.811","0.002","85.112","0.003","769.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis{1-[1-(n-hexyl)-3-methyl-5-oxo-2-pyrazolin-4-ylidene]ethyl}hexane- 1,6-diamine","","- C30 H52 N6 O2 -","- C30 H52 N6 O2 -","- C30 H52 N6 O2 -","1","0.5","OB1196","Belmar, Julio; Pérez, Fredy R.; Moreno, Yanko; Baggio, Ricardo","Two enamines derived from 1-<i>n</i>-alkyl-3-methylpyrazol-5-ones","Acta Crystallographica Section C","2004","60","9","o705","o708","10.1107/S0108270104018736","","","0.71073","MoKα","","0.0932","0.0481","","","0.1174","0.1518","","","","","","0.933","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014222","20.661","0.009","9.795","0.004","17.249","0.007","90","","99.182","0.012","90","","3446","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-[(4-Chlorobenzoyl)methyl]-4-(N,N-dimethylamino)pyridinium bromide sesquihydrate","","- C15 H19 Br Cl N2 O2.5 -","- C15 H19 Br Cl N2 O2.5 -","- C120 H152 Br8 Cl8 N16 O20 -","8","1","SK1711","Sundar, T.V.; Parthasarathi, V.; Sarkunam, K.; Nallu, M.; Walfort, B.; Lang, H.","1-[(4-Chlorobenzoyl)methyl]-4-(<i>N</i>,<i>N</i>-dimethylamino)pyridinium bromide sesquihydrate and 1-[(4-bromobenzoyl)methyl]-4-(<i>N</i>,<i>N</i>-dimethylamino)pyridinium bromide sesquihydrate","Acta Crystallographica Section C","2004","60","7","o464","o466","10.1107/S0108270104010923","","","0.71073","MoKα","","0.0747","0.0404","","","0.0924","0.1066","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014223","20.403","0.006","10.022","0.003","17.386","0.004","90","","100.182","0.008","90","","3499.1","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-[(4-Bromobenzoyl)methyl]-4-(N,N-dimethylamino)pyridinium bromide sesquihydrate","","- C15 H19 Br2 N2 O2.5 -","- C15 H19 Br2 N2 O2.5 -","- C120 H152 Br16 N16 O20 -","8","1","SK1711","Sundar, T.V.; Parthasarathi, V.; Sarkunam, K.; Nallu, M.; Walfort, B.; Lang, H.","1-[(4-Chlorobenzoyl)methyl]-4-(<i>N</i>,<i>N</i>-dimethylamino)pyridinium bromide sesquihydrate and 1-[(4-bromobenzoyl)methyl]-4-(<i>N</i>,<i>N</i>-dimethylamino)pyridinium bromide sesquihydrate","Acta Crystallographica Section C","2004","60","7","o464","o466","10.1107/S0108270104010923","","","0.71073","MoKα","","0.0673","0.0383","","","0.0969","0.1108","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014224","6.905","0.003","13.116","0.005","18.969","0.011","90","","90","","90","","1717.9","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","p-nitrophenyl sufate potassium salt","potassium p-nitrophenyl sulfate","","- C6 H4 K N O6 S -","- C6 H4 K N O6 S -","- C48 H32 K8 N8 O48 S8 -","8","1","SK1726","Sierosławski, Krzysztof; Popek, Tomasz; Lis, Tadeusz","Potassium <i>p</i>-nitrophenyl sulfate","Acta Crystallographica Section C","2004","60","7","m327","m329","10.1107/S0108270104010984","","","0.71073","MoKα","","0.0696","0.0364","","","0.0772","0.0848","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014225","5.7056","0.0004","5.7056","0.0004","8.1002","0.0009","90","","90","","90","","263.69","0.04","293","","293","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","strontium niobium dioxygen nitride","","- N3.72 Nb4 O8.28 Sr4 -","- N3.72 Nb4 O8.28 Sr4 -","- N3.72 Nb4 O8.28 Sr4 -","1","0.03125","SK1729","Ebbinghaus, Stefan G.; Weidenkaff, Anke; Rachel, Anita; Reller, Armin","Powder neutron diffraction of SrNbO~2~N at room temperature and 1.5K","Acta Crystallographica Section C","2004","60","9","i91","i93","10.1107/S0108270104016105","","neutron","1.49328","neutron","","","","","","","","","","1.63","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014226","5.6938","0.0004","5.6938","0.0004","8.0974","0.0008","90","","90","","90","","262.51","0.04","1.5","","1.5","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","strontium niobium dioxygen nitride","","- N3.84 Nb4 O8.16 Sr4 -","- N3.84 Nb4 O8.16 Sr4 -","- N3.84 Nb4 O8.16 Sr4 -","1","0.03125","SK1729","Ebbinghaus, Stefan G.; Weidenkaff, Anke; Rachel, Anita; Reller, Armin","Powder neutron diffraction of SrNbO~2~N at room temperature and 1.5K","Acta Crystallographica Section C","2004","60","9","i91","i93","10.1107/S0108270104016105","","neutron","1.49328","neutron","","","","","","","","","","1.57","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014227","6.1997","0.0006","10.6324","0.0012","15.8948","0.0014","90","","97.145","0.007","90","","1039.61","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6β-Azido-7α-hydroxy-17-oxo-5α-androst-3β-yl acetate","","- C21 H31 N3 O4 -","- C21 H31 N3 O4 -","- C42 H62 N6 O8 -","2","1","SK1730","Paixão, J. I. F.; Salvador, J. A. R.; Paixão, J. A.; Beja, A. M.; Ramos Silva, M.; Gonsalves, A. M. d'A. R.","6β-Azido-7α-hydroxy-17-oxo-5α-androstan-3β-yl acetate","Acta Crystallographica Section C","2004","60","9","o630","o632","10.1107/S0108270104011989","","","0.71073","MoKα","","0.0699","0.0474","","","0.1335","0.1481","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014228","10.7937","0.0004","11.3989","0.0002","14.2448","0.0005","79.993","0.002","83.349","0.0014","89.852","0.002","1714.07","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","rac-3-(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-phenyl-thiazolidin-4-one","","- C19 H18 N4 O S -","- C19 H18 N4 O S -","- C76 H72 N16 O4 S4 -","4","2","SK1731","Low, John N.; Cobo, Justo; Insuasty, Braulio; Orozco, Fabián; Glidewell, Christopher","<i>rac</i>-3-(5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-2-phenylthiazolidin-4-one: sheets built from N—H···N and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","7","o486","o488","10.1107/S0108270104011540","","","0.71073","MoKα","","0.0918","0.065","","","0.1655","0.1836","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014229","8.963","0.001","16.303","0.001","16.673","0.001","90","","104.784","0.007","90","","2355.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Triphenylphosphine oxide‒1-naphthoic acid (1/1)","","- C29 H23 O3 P -","- C29 H23 O3 P -","- C116 H92 O12 P4 -","4","1","SK1732","Khalid A. Al-Farhan","Triphenylphosphine oxide‒1-naphthoic acid (1/1)","Acta Crystallographica Section C","2004","60","7","o531","o532","10.1107/S010827010401279X","","","0.71073","MoKα","","0.066","0.0412","","","0.0978","0.1111","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014230","21.819","0.0005","8.4596","0.0002","23.1792","0.0005","90","","94.514","0.0014","90","","4265.15","0.17","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","S-Ethyl N-benzoyldithiocarbamate","","- C10 H11 N O S2 -","- C10 H11 N O S2 -","- C160 H176 N16 O16 S32 -","16","2","SK1733","Low, John N.; Cobo, Justo; Insuasty, Henry; Estrada, Martin; Cortés, Edward; Glidewell, Christopher","<i>S</i>-Ethyl <i>N</i>-benzoyldithiocarbamate: two independent hydrogen-bonded <i>R</i>_<b>2</b>^<b>2</b>(8) dimers of different symmetry linked into chains by a C—H···π(arene) interaction","Acta Crystallographica Section C","2004","60","7","o483","o485","10.1107/S0108270104012090","","","0.71073","MoKα","","0.0632","0.0374","","","0.0803","0.0886","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014231","9.1392","0.0004","11.8931","0.0003","13.6025","0.0005","105.725","0.002","92.472","0.002","101.934","0.002","1384.67","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","{2-[(benzoylmethylene)diphenyl-λ^5^-phosphino]ethyl}diphenylphosphine monohydrate","","- C34 H32 O2.68 P2 -","- C34 H32 O2.678 P2 -","- C68 H64 O5.356 P4 -","2","1","SK1734","Mohamed, E. Mothi; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Partially oxidized {2-[(benzoylmethylene)diphenyl-λ^5^-phosphino]ethyl}diphenylphosphine as a monohydrate","Acta Crystallographica Section C","2004","60","7","o475","o478","10.1107/S0108270104012211","","","0.71073","MoKα","","0.0824","0.0544","","","0.1144","0.1433","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014232","7.4467","0.0001","5.8383","0.0001","7.99","0.0001","90","","93.46","0.01","90","","346.741","0.009","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","diacetato-palladat(II)","catena-poly[palladium(II)-di-μ-acetato-κ^4^O:O']","","- C4 H6 O4 Pd -","- C4 H6 O4 Pd -","- C8 H12 O8 Pd2 -","2","0.5","SK1735","Kirik, Sergei D.; Mulagaleev Ruslan F.; Blokhin Alexander I.","[Pd(CH~3~COO)~2~]~<i>n~</i> from X-ray powder diffraction data","Acta Crystallographica Section C","2004","60","9","m449","m450","10.1107/S0108270104016129","","","1.5418","CuKα","","","","","","","","","","1.38","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014233","3.7492","0.0013","6.9376","0.0014","23.099","0.008","90","","90.118","0.011","90","","600.8","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(4-Fluorophenyl)-4-nitrophthalimide","","- C14 H7 F N2 O4 -","- C14 H7 F N2 O4 -","- C28 H14 F2 N4 O8 -","2","1","SK1736","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","<i>N</i>-(4-Fluorophenyl)-4-nitrophthalimide: tripartite hydrogen-bonded sheets","Acta Crystallographica Section C","2004","60","7","o511","o513","10.1107/S0108270104013575","","","0.71073","MoKα","","0.1188","0.0701","","","0.1343","0.1539","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014234","5.898","0.0005","14.8324","0.0012","10.7092","0.0008","90","","101.974","0.004","90","","916.47","0.13","120","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-2-thiazoline","","- C3 H6 N2 S -","- C3 H6 N2 S -","- C24 H48 N16 S8 -","8","2","SK1737","Daniel E. Lynch","2-Amino-2-thiazoline and its 1:1 organic salt with 2-naphthoxyacetic acid","Acta Crystallographica Section C","2004","60","9","o677","o679","10.1107/S0108270104015604","","","0.71073","MoKα","","0.1293","0.0607","","","0.1328","0.1602","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014235","8.3669","0.0002","6.3707","0.0001","26.3457","0.0006","90","","92.1992","0.0009","90","","1403.27","0.05","120","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-2-thiazolium 2-naphthoxyacetate","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","SK1737","Daniel E. Lynch","2-Amino-2-thiazoline and its 1:1 organic salt with 2-naphthoxyacetic acid","Acta Crystallographica Section C","2004","60","9","o677","o679","10.1107/S0108270104015604","","","0.71073","MoKα","","0.0608","0.0458","","","0.112","0.121","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014236","10.6248","0.0008","8.6055","0.0005","13.0135","0.0009","90","","92.977","0.004","90","","1188.24","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate","","- C10 H16 N2 O2 S -","- C10 H16 N2 O2 S -","- C40 H64 N8 O8 S4 -","4","1","SK1738","Lynch, Daniel E.; McClenaghan, Ian","Ethyl 2-amino-4-<i>tert</i>-butyl-1,3-thiazole-5-carboxylate and 6-methylimidazo[2,1-<i>b</i>]thiazole‒2-amino-1,3-thiazole (1/1)","Acta Crystallographica Section C","2004","60","8","o592","o594","10.1107/S0108270104015471","","","0.71073","MoKα","","0.0568","0.041","","","0.0986","0.1063","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014237","6.9195","0.0002","9.186","0.0002","9.6953","0.0003","69.5204","0.0017","71.4823","0.0016","74.277","0.0017","538.48","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","6-Methylimidazo[2,1-b]thiazole 2-amino-1,3-thiazole","","- C9 H10 N4 S2 -","- C9 H10 N4 S2 -","- C18 H20 N8 S4 -","2","1","SK1738","Lynch, Daniel E.; McClenaghan, Ian","Ethyl 2-amino-4-<i>tert</i>-butyl-1,3-thiazole-5-carboxylate and 6-methylimidazo[2,1-<i>b</i>]thiazole‒2-amino-1,3-thiazole (1/1)","Acta Crystallographica Section C","2004","60","8","o592","o594","10.1107/S0108270104015471","","","0.71073","MoKα","","0.0449","0.0399","","","0.1013","0.105","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014238","7.707","0.0001","10.708","0.0002","12.308","0.0002","94.59","0.0007","104.117","0.0007","110.116","0.0007","909.86","0.03","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","(Z)-2-(1-Benzenesulfonyl-1H-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one","","- C22 H20 N2 O3 S -","- C22 H20 N2 O3 S -","- C44 H40 N4 O6 S2 -","2","1","SK1739","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(1-Phenylsulfonyl-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one and (<i>Z</i>)-(<i>S</i>)-2-(1-phenylsulfonyl-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-ol","Acta Crystallographica Section C","2004","60","9","o659","o661","10.1107/S0108270104015847","","","0.71073","MoKα","","0.0384","0.0339","","","0.0866","0.0897","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014239","6.13","0.0001","12.95","0.0002","23.68","0.0004","90","","90","","90","","1879.8","0.05","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-2-(1-Benzenesulfonyl-1H-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-ol","","- C22 H22 N2 O3 S -","- C22 H22 N2 O3 S -","- C88 H88 N8 O12 S4 -","4","1","SK1739","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(1-Phenylsulfonyl-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one and (<i>Z</i>)-(<i>S</i>)-2-(1-phenylsulfonyl-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-ol","Acta Crystallographica Section C","2004","60","9","o659","o661","10.1107/S0108270104015847","","","0.71073","MoKα","","0.0464","0.0378","","","0.0899","0.094","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014240","21.137","0.004","9.1906","0.0016","32.459","0.006","90","","95.746","0.003","90","","6274","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dimethyl 2-(4-bromophenyl)-10,11-dimethoxy-2,3,7,8-tetrahydrospiro[6- azacyclohepta[a]isoquinoline-3,9'-fluorene]-4,5-dicarboxylate","","- C38 H32 Br N O6 -","- C38 H32 Br N O6 -","- C304 H256 Br8 N8 O48 -","8","1","SK1741","Feng, Li; Li, Zhi-Ming; Chen, Zhen-Xia; Tan, Yong-Sheng; Weng, Lin-Hong; Tao, Feng-Gang","Dimethyl 2-(4-bromophenyl)-10,11-dimethoxy-2,3,7,8-tetrahydrospiro[azepino[2,1-<i>a</i>]isoquinoline-3,9'-fluorene]-4,5-dicarboxylate","Acta Crystallographica Section C","2004","60","9","o680","o681","10.1107/S0108270104015860","","","0.71073","MoKα","","0.0946","0.0451","","","0.0799","0.0918","","","","","","0.834","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014241","9.2382","0.0008","10.3054","0.0008","10.3184","0.0009","62.72","0.004","83.098","0.004","70.531","0.005","822.54","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","9-(4-Chlorophenyl)-7-methyl-5,6-dihydrobenzo[h]pyrazolo[3,2-b]quinazoline","","- C21 H16 Cl N3 -","- C21 H16 Cl N3 -","- C42 H32 Cl2 N6 -","2","1","SK1742","Low, John N.; Cobo, Justo; Quiroga, Jaime; Portilla, Jaime; Glidewell, Christopher","10-(4-Chlorophenyl)-7-methyl-5,6-dihydrobenzo[<i>h</i>]pyrazolo[5,1-<i>b</i>]quinazoline and 2-(4-chlorophenyl)-5-methyl-6,7-dihydrobenzo[<i>h</i>]pyrazolo[1,5-<i>a</i>]quinazoline: isomeric molecules linked into hydrogen-bonded dimers or π-stacked chains","Acta Crystallographica Section C","2004","60","8","o604","o607","10.1107/S0108270104015616","","","0.71073","MoKα","","0.1399","0.065","","","0.1236","0.1525","","","","","","0.959","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014242","7.0098","0.0003","15.0306","0.0007","17.006","0.0008","111.492","0.002","101.406","0.003","97.981","0.003","1589.81","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Chlorophenyl)-5-methyl-6,7-dihydrobenzo[e]pyrazolo[2,3-b]quinazoline","","- C21 H16 Cl N3 -","- C21 H16 Cl N3 -","- C84 H64 Cl4 N12 -","4","2","SK1742","Low, John N.; Cobo, Justo; Quiroga, Jaime; Portilla, Jaime; Glidewell, Christopher","10-(4-Chlorophenyl)-7-methyl-5,6-dihydrobenzo[<i>h</i>]pyrazolo[5,1-<i>b</i>]quinazoline and 2-(4-chlorophenyl)-5-methyl-6,7-dihydrobenzo[<i>h</i>]pyrazolo[1,5-<i>a</i>]quinazoline: isomeric molecules linked into hydrogen-bonded dimers or π-stacked chains","Acta Crystallographica Section C","2004","60","8","o604","o607","10.1107/S0108270104015616","","","0.71073","MoKα","","0.1358","0.0605","","","0.1264","0.152","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014243","7.5373","0.0005","15.0354","0.0015","11.6624","0.0012","90","","106.811","0.005","90","","1265.2","0.2","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","rac-1-phenylethanaminium rac-malate(1-)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","SK1743","Turkington, David E.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Supramolecular structures of three configurational isomers of 1-phenylethanaminium malate(1‒)","Acta Crystallographica Section C","2004","60","8","o617","o622","10.1107/S0108270104015793","","","0.71073","MoKα","","0.0505","0.0454","","","0.1171","0.1209","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014244","6.4227","0.0005","13.5815","0.001","7.5439","0.0003","90","","108.665","0.004","90","","623.44","0.07","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-phenylethanaminium (S)-malate(1-)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C24 H34 N2 O10 -","2","1","SK1743","Turkington, David E.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Supramolecular structures of three configurational isomers of 1-phenylethanaminium malate(1‒)","Acta Crystallographica Section C","2004","60","8","o617","o622","10.1107/S0108270104015793","","","0.71073","MoKα","","0.0394","0.0358","","","0.091","0.0943","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014245","6.335","0.0002","13.7876","0.0006","7.5572","0.0002","90","","107.907","0.002","90","","628.1","0.04","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-1-phenylethanaminium (S)-malate(1-)","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C24 H34 N2 O10 -","2","1","SK1743","Turkington, David E.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Supramolecular structures of three configurational isomers of 1-phenylethanaminium malate(1‒)","Acta Crystallographica Section C","2004","60","8","o617","o622","10.1107/S0108270104015793","","","0.71073","MoKα","","0.036","0.0322","","","0.0753","0.0781","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014246","11.99","0.003","11.814","0.003","22.606","0.006","90","","90","","90","","3202.1","1.4","102","","102","","","","","","","","","4","A b a 2","A 2 -2ab","41","","Hexamethylenetetramine‒rac-trans-1,2-cyclohexanedicarboxylic acid (1:1)","","- C14 H24 N4 O4 -","- C14 H24 N4 O4 -","- C112 H192 N32 O32 -","8","","SK1744","Venkatraman, Ramaiyer; Ray, Paresh Chandra; Fronczek, Frank R.","The 1:1 adduct of hexamethylenetetramine (HMT) with racemic <i>trans</i>-1,2-cyclohexanedicarboxylic acid (CDA)","Acta Crystallographica Section C","2004","60","9","o633","o635","10.1107/S0108270104015963","","","0.71073","MoKα","","0.053","0.041","","","0.092","0.097","","","","","","1.035","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014247","23.3764","0.0008","37.1079","0.0012","7.7091","0.0002","90","","90","","90","","6687.3","0.4","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,3,5-triphenylperhydro-1,3,5-triazine-2,4,6-trione, orthorhombic polymorph","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C336 H240 N48 O48 -","16","1","SK1750","Mariyatra, M. Baby; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Orthorhombic and monoclinic polymorphs of 1,3,5-triphenylperhydro-1,3,5-triazine-2,4,6-trione at 120K: chains and sheets formed by C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","9","o682","o685","10.1107/S0108270104017342","","","0.71073","MoKα","","0.0419","0.0344","","","0.078","0.0823","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014248","15.6526","0.0003","13.6819","0.0003","9.6454","0.0002","90","","126.035","0.002","90","","1670.39","0.07","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5-triphenylperhydro-1,3,5-triazine-2,4,6-trione, monoclinic polymorph","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C84 H60 N12 O12 -","4","0.5","SK1750","Mariyatra, M. Baby; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Orthorhombic and monoclinic polymorphs of 1,3,5-triphenylperhydro-1,3,5-triazine-2,4,6-trione at 120K: chains and sheets formed by C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","9","o682","o685","10.1107/S0108270104017342","","","0.71073","MoKα","","0.0584","0.0495","","","0.1175","0.1236","","","","","","1.173","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014249","3.6675","0.0002","13.938","0.001","28.796","0.002","90","","90","","90","","1471.98","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Nitrobenzaldehyde hydrazone","","- C7 H7 N3 O2 -","- C7 H7 N3 O2 -","- C56 H56 N24 O16 -","8","2","SK1751","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded dimers in 2-nitrobenzaldehyde hydrazone and a three-dimensional hydrogen-bonded framework in 3-nitrobenzaldehyde hydrazone","Acta Crystallographica Section C","2004","60","9","o686","o689","10.1107/S0108270104018323","","","0.71073","MoKα","","0.111","0.0524","","","0.0964","0.1129","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014250","3.7231","0.0002","10.22","0.0007","19.4119","0.0012","90","","90","","90","","738.62","0.08","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Nitrobenzaldehyde hydrazone","","- C7 H7 N3 O2 -","- C7 H7 N3 O2 -","- C28 H28 N12 O8 -","4","1","SK1751","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded dimers in 2-nitrobenzaldehyde hydrazone and a three-dimensional hydrogen-bonded framework in 3-nitrobenzaldehyde hydrazone","Acta Crystallographica Section C","2004","60","9","o686","o689","10.1107/S0108270104018323","","","0.71073","MoKα","","0.0455","0.0373","","","0.0881","0.092","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014251","6.2258","0.0015","13.66","0.003","8.656","0.002","90","","99.807","0.004","90","","725.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N':N,N'-bis(ethylene)dioxamate","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C24 H36 N4 O12 -","2","0.5","SK1752","Martínez-Martínez, Francisco J.; Rojas-Pérez, Rodrigo E.; García-Báez, Efrén V.; Höpfl, Herbert; Padilla-Martínez, Itzia I.","Diethyl piperazine-1,4-diyldioxalate","Acta Crystallographica Section C","2004","60","9","o699","o701","10.1107/S0108270104018682","","","0.71073","MoKα","","0.0541","0.0507","","","0.1153","0.1175","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014252","6.7451","0.0006","7.7744","0.0007","8.0605","0.0007","88.794","0.002","84.323","0.002","88.052","0.002","420.3","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[μ-dicyanamido-2':1κ^2^N^1^:N^5^-[[μ-N,N'-bis(3- aminopropyl)oxamidato-κ^6^N,N',O:N'',N''',O']dicopper(II)]-μ-dicyanamido- 2:1'κ^2^N^1^:N^5^]","","- C12 H16 Cu2 N10 O2 -","- C12 H16 Cu2 N10 O2 -","- C12 H16 Cu2 N10 O2 -","1","0.5","SQ1157","Zhang, Bing; Kou, Hui-Zhong; He, Yi; Wang, Hong-Gen; Cui, Ai-Li","[Cu(C~8~H~16~N~4~O~2~)~0.5~{N(CN)~2~}]~<i>n~</i>, a novel ladder-like coordination polymer","Acta Crystallographica Section C","2004","60","7","m341","m342","10.1107/S0108270104011011","","","0.71073","MoKα","","0.0434","0.037","","","0.0898","0.0924","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014253","4.0079","0.001","9.366","0.002","19.787","0.005","90","","90","","90","","742.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-chloroacetophenone","","- C8 H7 Cl O -","- C8 H7 Cl O -","- C32 H28 Cl4 O4 -","4","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.045","0.034","","","0.076","0.08","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014254","18.635","0.005","6.9554","0.0017","5.9035","0.0015","90","","96.36","0.01","90","","760.5","0.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-bromoacetophenone","","- C8 H7 Br O -","- C8 H7 Br O -","- C32 H28 Br4 O4 -","4","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.037","0.032","","","0.074","0.077","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014255","19.425","0.005","7.049","0.002","5.8769","0.0015","90","","94.41","0.01","90","","802.3","0.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","p-iodoacetophenone polymorph A","","- C8 H7 I O -","- C8 H7 I O -","- C32 H28 I4 O4 -","4","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.024","0.023","","","0.059","0.06","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014256","9.777","0.002","8.232","0.002","20.089","0.005","90","","90","","90","","1616.8","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","p-iodoacetophenone polymorph B","","- C8 H7 I O -","- C8 H7 I O -","- C64 H56 I8 O8 -","8","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.049","0.026","","","0.059","0.07","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014257","13.925","0.003","15.099","0.003","12.581","0.003","90","","114","0.03","90","","2416.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-poly[[aquadipyridinenickel(II)]-μ-2,2'-dithiodibenzoato- κ^3^O,O':O'']","","- C24 H20 N2 Ni O5 S2 -","- C24 H20 N2 Ni O5 S2 -","- C96 H80 N8 Ni4 O20 S8 -","4","1","SQ1161","Zhao, Wen-Na; Zou, Jian-Wei; Yu, Qing-Shen","A one-dimensional ladder-like coordination polymer derived from chains formed <i>via</i> hydrogen bonds: <i>catena</i>-poly[[aquadipyridinenickel(II)]-μ-2,2'-dithiodibenzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","2004","60","9","m443","m444","10.1107/S0108270104017469","","","0.71073","MoKα","","0.0366","0.028","","","0.074","0.0824","","","","","","1.07","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2014258","7.863","0.0016","8.596","0.0017","23.227","0.005","90","","96.64","0.03","90","","1559.4","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Acetyl-2-amino-6-methyl-4-(1-naphthyl)-4H-pyran-3-carbonitrile","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","SQ1162","Nesterova, Svitlana V.; Wiedenfeld, David J.; Nesterov, Vladimir N.","5-Acetyl-2-amino-6-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carbonitrile, methyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate and <i>tert</i>-butyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate","Acta Crystallographica Section C","2004","60","8","o559","o563","10.1107/S0108270104013812","","","0.71073","MoKα","","0.0776","0.0435","","","0.107","0.1228","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014259","8.315","0.0017","10.283","0.002","10.793","0.002","112.38","0.03","96.66","0.03","103.83","0.03","806.3","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","methyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4H-pyran-3-carboxylate","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C38 H32 N4 O6 -","2","1","SQ1162","Nesterova, Svitlana V.; Wiedenfeld, David J.; Nesterov, Vladimir N.","5-Acetyl-2-amino-6-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carbonitrile, methyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate and <i>tert</i>-butyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate","Acta Crystallographica Section C","2004","60","8","o559","o563","10.1107/S0108270104013812","","","0.71073","MoKα","","0.1447","0.0549","","","0.1371","0.1718","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014260","8.494","0.0017","10.938","0.002","11.844","0.002","104.69","0.03","109.84","0.03","102.3","0.03","945.6","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","tert-butyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4H-pyran-3-carboxylate","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C44 H44 N4 O6 -","2","1","SQ1162","Nesterova, Svitlana V.; Wiedenfeld, David J.; Nesterov, Vladimir N.","5-Acetyl-2-amino-6-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carbonitrile, methyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate and <i>tert</i>-butyl 6-amino-5-cyano-2-methyl-4-(1-naphthyl)-4<i>H</i>-pyran-3-carboxylate","Acta Crystallographica Section C","2004","60","8","o559","o563","10.1107/S0108270104013812","","","0.71073","MoKα","","0.1246","0.0585","","","0.1533","0.1867","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014261","8.2542","0.0002","8.2542","0.0002","6.9963","0.0002","90","","90","","120","","412.809","0.018","120","2","120","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","triethylammonium chloride","Triethylammonium chloride","","- C6 H16 Cl N -","- C6 H16 Cl N -","- C12 H32 Cl2 N2 -","2","0.333333","SQ1163","Churakov, Andrei V.; Howard, Judith A. K.","Redetermination of triethylammonium chloride in the space group <i>P</i>31<i>c</i>","Acta Crystallographica Section C","2004","60","8","o557","o558","10.1107/S0108270104014209","","","0.71073","MoKα","","0.0194","0.0192","","","0.0467","0.0468","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014262","7.51","0.0003","10.0003","0.0004","22.0821","0.0006","84.307","0.001","88.084","0.001","71.02","","1560.51","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(4,4'-bipyridine-κN)bis(hydrogen phthlato)-κ^2^O,O';κO-zinc(II)","","- C36 H26 N4 O8 Zn -","- C36 H26 N4 O8 Zn -","- C72 H52 N8 O16 Zn2 -","2","1","SQ1166","Tang, En; Dai, Yu-Mei; Lin, Shen","Bis(4,4'-bipyridine-κ<i>N</i>)bis(hydrogen phthalato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-zinc(II)","Acta Crystallographica Section C","2004","60","9","m433","m434","10.1107/S0108270104017184","","","0.71073","MoKα","","","0.0629","","","0.1513","0.1772","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014263","6.0335","0.0001","9.4122","0.0002","18.7857","0.0004","81.175","0.001","89.271","0.001","80.703","0.002","1040.26","0.04","243","2","243","2","","","","","","","","3","P 1","P 1","1","","1-(11'-Phenylundecanoyl)-3-hydroxycyclohexane-2,6-dione","","- C23 H32 O4 -","- C23 H32 O4 -","- C46 H64 O8 -","2","2","SX1132","Castro, Ernesto; Cuca Suarez, Luis E.; Siengalewicz, Peter; Gutmann, Rene; Czermak, Georg; Brueggeller, Peter","3,6-Dihydroxy-2-(11-phenylundecanoyl)cyclohex-2-en-1-one from <i>Virola venosa</i> bark","Acta Crystallographica Section C","2004","60","7","o467","o469","10.1107/S0108270104010650","","","0.71073","MoKα","","0.0468","0.0387","","","0.1012","0.107","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014264","11.1447","0.0016","10.7602","0.0014","10.5103","0.0015","90","","106.775","0.002","90","","1206.8","0.3","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethyl-4-(phenyldiazenyl)phenol","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","SX1136","Soylu, Serkan; Kocaokutgen, Hasan; Gür, Mahmut; Lörnnecke, Peter","2,6-Dimethyl-4-(phenyldiazenyl)phenol","Acta Crystallographica Section C","2004","60","7","o498","o500","10.1107/S0108270104011308","","","0.71073","MoKα","","0.1003","0.0685","","","0.1531","0.1704","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014265","4.799","0.002","13.601","0.003","11.014","0.003","90","","100.49","0.03","90","","706.9","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","7-Deaza-7-(propynyl)-2'-deoxyguanosine","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C28 H32 N8 O8 -","2","1","SX1139","Seela, Frank; Shaikh, Khalil; Eickmeier, Henning","7-Deaza-2'-deoxy-7-propynylguanosine","Acta Crystallographica Section C","2004","60","7","o489","o491","10.1107/S0108270104011552","","","0.71073","MoKα","","0.1012","0.0629","","","0.1503","0.1721","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014266","5.383","0.004","6.315","0.004","15.588","0.01","90","","98.623","0.006","90","","523.9","0.6","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Seryl-L-valine","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C16 H32 N4 O8 -","2","1","SX1142","Moen, Anders; Frøseth, Morten; Görbitz, Carl Henrik; Dalhus, Bjørn","A non-planar peptide bond in <small>L</small>-seryl-<small>L</small>-valine","Acta Crystallographica Section C","2004","60","8","o564","o565","10.1107/S0108270104014325","","","0.71073","MoKα","","0.0305","0.0293","","","0.0744","0.0748","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014267","10.732","0.002","6.268","0.002","15.043","0.002","90","","101","0.01","90","","993.3","0.4","296","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Co N2 O6 -","- C22 H20 Co N2 O6 -","- C44 H40 Co2 N4 O12 -","2","0.5","TA1443","Okabe, Nobuo; Muranishi, Yasunori; Mamiko, Odoko","Cobalt(II), nickel(II) and copper(II) complexes of isoquinoline-3-carboxylate","Acta Crystallographica Section C","2004","60","7","m345","m347","10.1107/S0108270104012636","","","0.7107","MoKα","","","0.0324","","","","0.0915","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014268","10.638","0.002","6.277","0.002","15.068","0.002","90","","101.15","0.01","90","","987.2","0.4","296","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 Ni O6 -","- C22 H20 N2 Ni O6 -","- C44 H40 N4 Ni2 O12 -","2","0.5","TA1443","Okabe, Nobuo; Muranishi, Yasunori; Mamiko, Odoko","Cobalt(II), nickel(II) and copper(II) complexes of isoquinoline-3-carboxylate","Acta Crystallographica Section C","2004","60","7","m345","m347","10.1107/S0108270104012636","","","0.7107","MoKα","","","0.0345","","","","0.096","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014269","10.265","0.002","6.332","0.002","15.764","0.001","90","","96.879","0.009","90","","1017.3","0.4","296","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cu N2 O6 -","- C22 H20 Cu N2 O6 -","- C44 H40 Cu2 N4 O12 -","2","0.5","TA1443","Okabe, Nobuo; Muranishi, Yasunori; Mamiko, Odoko","Cobalt(II), nickel(II) and copper(II) complexes of isoquinoline-3-carboxylate","Acta Crystallographica Section C","2004","60","7","m345","m347","10.1107/S0108270104012636","","","0.7107","MoKα","","","0.0318","","","","0.0939","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014270","16.9011","0.001","12.9824","0.0008","18.3248","0.0011","90","","90","","90","","4020.8","0.4","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C28 H46 Cl4 Fe2 N12 O4 P2 -","- C28 H46 Cl4 Fe2 N12 O4 P2 -","- C112 H184 Cl16 Fe8 N48 O16 P8 -","4","0.5","TA1445","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)phosphine-κ^3^<i>N</i>^3^]iron(II) tetrachloroferrate(II) methanol tetrasolvate (<i>ca</i> 153K) and bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)methanol-κ^3^<i>N</i>^3^]iron(III) bis[tetrachloroferrate(III)] chloride (redetermination, <i>ca</i> 153K)","Acta Crystallographica Section C","2004","60","7","m311","m313","10.1107/S0108270104010868","","","0.71073","MoKα","","0.08","0.04","","0.049","","0.042","","","0.891","","","0.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014271","9.7792","0.0009","14.8534","0.001","13.3529","0.0017","90","","93.835","0.002","90","","1935.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl9 Fe3 N12 O2 -","- C26 H32 Cl9 Fe3 N12 O2 -","- C52 H64 Cl18 Fe6 N24 O4 -","2","0.5","TA1445","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)phosphine-κ^3^<i>N</i>^3^]iron(II) tetrachloroferrate(II) methanol tetrasolvate (<i>ca</i> 153K) and bis[tris(1-methyl-1<i>H</i>-imidazol-2-yl)methanol-κ^3^<i>N</i>^3^]iron(III) bis[tetrachloroferrate(III)] chloride (redetermination, <i>ca</i> 153K)","Acta Crystallographica Section C","2004","60","7","m311","m313","10.1107/S0108270104010868","","","0.71073","MoKα","","0.056","0.037","","0.075","","0.067","","","0.993","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014272","9.8803","0.0008","16.329","0.001","12.246","0.001","90","","101.953","0.002","90","","1932.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro(methanol-κO)[(methoxy)tris(1-methyl-1H-imidazol-2-yl)methane- κ^2^N^3^]iron(II)","","- C15 H22 Cl2 Fe N6 O2 -","- C15 H22 Cl2 Fe N6 O2 -","- C60 H88 Cl8 Fe4 N24 O8 -","4","1","TA1446","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Dichloro(methanol-κ<i>O</i>)[(methoxy)tris(1-methyl-1<i>H</i>-imidazol-2-yl)methane-κ^2^<i>N</i>^3^]iron(II) (<i>ca</i> 153K)","Acta Crystallographica Section C","2004","60","7","m314","m315","10.1107/S010827010401087X","","","0.71073","MoKα","","0.092","0.054","","0.152","","0.157","","","1.271","","","1.111","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014273","14.65","0.002","9.134","0.001","16.18","0.002","90","","102.078","0.003","90","","2117.2","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 Fe N8 O2 -","- C18 H20 Cl2 Fe N8 O2 -","- C72 H80 Cl8 Fe4 N32 O8 -","4","1","TA1447","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Tris[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]iron(II) dichloride 5.5-hydrate, <i>cis</i>-bis[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]dichloroiron(II) (<i>ca</i> 153 K) and di-μ-chloro-bis{[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]chloroiron(II)} methanol disolvate (<i>ca</i> 300 K)","Acta Crystallographica Section C","2004","60","7","m316","m319","10.1107/S0108270104010881","","","0.71073","MoKα","","0.066","0.044","","0.096","","0.082","","","1.047","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014274","8.358","0.003","9.215","0.003","10.65","0.004","93.175","0.005","108.871","0.004","113.923","0.004","692.8","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl4 Fe2 N8 O4 -","- C20 H20 Cl4 Fe2 N8 O4 -","- C20 H20 Cl4 Fe2 N8 O4 -","1","0.5","TA1447","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Tris[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]iron(II) dichloride 5.5-hydrate, <i>cis</i>-bis[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]dichloroiron(II) (<i>ca</i> 153 K) and di-μ-chloro-bis{[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]chloroiron(II)} methanol disolvate (<i>ca</i> 300 K)","Acta Crystallographica Section C","2004","60","7","m316","m319","10.1107/S0108270104010881","","","0.71073","MoKα","","0.091","0.067","","0.155","","0.146","","","0.958","","","1.057","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014275","21.3036","0.001","13.9936","0.0007","24.4634","0.001","90","","104.23","0.001","90","","7069.1","0.6","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H41 Cl2 Fe N12 O8.5 -","- C27 H41 Cl2 Fe N12 O8.5 -","- C216 H328 Cl16 Fe8 N96 O68 -","8","1","TA1447","Batten, Michael P.; Canty, Allan J.; Cavell, Kingsley J.; Rüther, Thomas; Skelton, Brian W.; White, Allan H.","Tris[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]iron(II) dichloride 5.5-hydrate, <i>cis</i>-bis[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]dichloroiron(II) (<i>ca</i> 153 K) and di-μ-chloro-bis{[bis(1-methyl-1<i>H</i>-imidazol-2-yl)methanone-κ^2^<i>N</i>^3^]chloroiron(II)} methanol disolvate (<i>ca</i> 300 K)","Acta Crystallographica Section C","2004","60","7","m316","m319","10.1107/S0108270104010881","","","0.71073","MoKα","","0.095","0.062","","0.138","","0.13","","","1.384","","","1.22","","","","has coordinates,has Fobs","199470","2020-10-21","18:00:00",""
"2014276","8.428","0.001","10.284","0.002","17.669","0.003","90","","96.294","0.002","90","","1522.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[tris(pyridin-2-yl)methanol-κ^2^N]palladium(II) dinitrate","","- C32 H26 N8 O8 Pd -","- C32 H26 N8 O8 Pd -","- C64 H52 N16 O16 Pd2 -","2","0.5","TA1448","Canty, Allan J.; Skelton, Brian W.; Traill, Peter R.; White, Allan H.","Bis[tris(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>N</i>']palladium(II) dinitrate at 150 and 298K","Acta Crystallographica Section C","2004","60","7","m305","m307","10.1107/S0108270104010893","","","0.71073","MoKα","","0.068","0.048","","0.178","","0.117","","","1.357","","","1.041","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014277","8.43","0.003","10.431","0.004","17.67","0.02","90","","95.54","0.06","90","","1546.5","1.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[tris(pyridin-2-yl)methanol-κ^2^N]palladium(II) dinitrate","","- C32 H26 N8 O8 Pd -","- C32 H26 N8 O8 Pd -","- C64 H52 N16 O16 Pd2 -","2","0.5","TA1448","Canty, Allan J.; Skelton, Brian W.; Traill, Peter R.; White, Allan H.","Bis[tris(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>N</i>']palladium(II) dinitrate at 150 and 298K","Acta Crystallographica Section C","2004","60","7","m305","m307","10.1107/S0108270104010893","","","0.71073","MoKα","","0.114","0.056","","0.213","","0.145","","","1.585","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014278","29.194","0.002","7.2253","0.0005","18.2715","0.0013","90","","110.524","0.001","90","","3609.5","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Quinolinium 5-sulfosalicylate trihydrate","Quinolinium 3-carboxy-4-hydroxybenzenesulfonate trihydrate","","- C16 H19 N O9 S -","- C16 H19 N O9 S -","- C128 H152 N8 O72 S8 -","8","1","TA1450","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with bicyclic heteroaromatic Lewis bases","Acta Crystallographica Section C","2004","60","8","o575","o581","10.1107/S010827010401457X","","","0.71073","MoKα","","0.0474","0.0418","","","0.1138","0.1176","","","","","","1.032","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014279","13.236","0.002","10.6515","0.0018","13.549","0.002","90","","119.135","0.003","90","","1668.5","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","8-hydroxyquinolinium 5-sulfosalicylate monohydrate","8-hydroxyquinolinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C16 H15 N O8 S -","- C16 H15 N O8 S -","- C64 H60 N4 O32 S4 -","4","1","TA1450","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with bicyclic heteroaromatic Lewis bases","Acta Crystallographica Section C","2004","60","8","o575","o581","10.1107/S010827010401457X","","","0.71069","MoKα","","0.053","0.0413","","","0.1063","0.1105","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014280","6.9047","0.0009","9.2914","0.0012","14.5106","0.0019","73.24","0.002","84.138","0.003","79.889","0.002","876.2","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","8-aminoquinolinium 5-sulfosalicylate dihydrate","8-aminoquinolinium 3-carboxy-4-hydroxybenzenesulfonate dihydrate","","- C16 H18 N2 O8 S -","- C16 H18 N2 O8 S -","- C32 H36 N4 O16 S2 -","2","1","TA1450","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with bicyclic heteroaromatic Lewis bases","Acta Crystallographica Section C","2004","60","8","o575","o581","10.1107/S010827010401457X","","","0.71069","MoKα","","0.0535","0.0405","","","0.0922","0.0976","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014281","8.3173","0.001","11.2674","0.0014","26.245","0.003","90","","94.284","0.002","90","","2452.7","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Quinolinium-2-carboxylic acid 5-sulfosalicylate: quinoline-2-carboxylic acid adduct","Quinolinium-2-carboxylic acid 3-carboxy-4-hydroxybenzenesulfonate 2-carboxylatoquinolinium","","- C27 H20 N2 O10 S -","- C27 H20 N2 O10 S -","- C108 H80 N8 O40 S4 -","4","1","TA1450","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in proton-transfer compounds of 5-sulfosalicylic acid with bicyclic heteroaromatic Lewis bases","Acta Crystallographica Section C","2004","60","8","o575","o581","10.1107/S010827010401457X","","","0.71073","MoKα","","0.045","0.0381","","","0.0981","0.1023","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014282","9.967","0.004","9.973","0.003","14.13","0.005","96.412","0.006","110.196","0.006","95.1","0.006","1297.6","0.8","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H26 O -","- C15 H26 O -","- C60 H104 O4 -","4","2","TA1451","Dachriyanus; Amri Bakhtiar; Sargent, Melvyn V.; Skelton, Brian W.; White, Allan H.","<i>rac</i>-Eudesm-7(11)-en-4-ol","Acta Crystallographica Section C","2004","60","7","o503","o504","10.1107/S0108270104012922","","","0.71073","MoKα","","0.112","0.067","","0.168","","0.168","","","1.06","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014283","20.449","0.002","20.449","0.002","9.75","0.001","90","","90","","120","","3530.9","0.6","150","2","150","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C9 H8 N2 -","- C9 H8 N2 -","- C162 H144 N36 -","18","1","TA1452","Nielsen, David J.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","4-Phenyl-1<i>H</i>-imidazole (a low-temperature redetermination), 1-benzyl-1<i>H</i>-imidazole and 1-mesityl-1<i>H</i>-imidazole","Acta Crystallographica Section C","2004","60","8","o542","o544","10.1107/S0108270104013228","","","0.71073","MoKα","","0.028","0.028","","0.055","","0.056","","","1.082","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014284","8.222","0.002","6.026","0.001","16.948","0.004","90","","93.283","0.003","90","","838.3","0.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C40 H40 N8 -","4","1","TA1452","Nielsen, David J.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","4-Phenyl-1<i>H</i>-imidazole (a low-temperature redetermination), 1-benzyl-1<i>H</i>-imidazole and 1-mesityl-1<i>H</i>-imidazole","Acta Crystallographica Section C","2004","60","8","o542","o544","10.1107/S0108270104013228","","","0.71073","MoKα","","0.06","0.043","","0.093","","0.085","","","1.013","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014285","10.346","0.001","9.222","0.002","10.803","0.002","90","","90","","90","","1030.7","0.3","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H14 N2 -","- C12 H14 N2 -","- C48 H56 N8 -","4","1","TA1452","Nielsen, David J.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H.","4-Phenyl-1<i>H</i>-imidazole (a low-temperature redetermination), 1-benzyl-1<i>H</i>-imidazole and 1-mesityl-1<i>H</i>-imidazole","Acta Crystallographica Section C","2004","60","8","o542","o544","10.1107/S0108270104013228","","","0.71073","MoKα","","0.067","0.055","","0.121","","0.067","","","1.071","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014286","13.597","0.003","10.404","0.002","14.735","0.003","90","","90","","90","","2084.5","0.7","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","9-(1-naphthyl)-9H-xanthen-9-ol‒dioxane (1/1) clathrate","","- C27 H24 O4 -","- C27 H24 O4 -","- C108 H96 O16 -","4","1","TA1455","Jacobs, Ayesha A.; Nassimbeni, Luigi R.; Taljaard, Benjamin","Desorption kinetics of a xanthenol‒dioxane clathrate","Acta Crystallographica Section C","2004","60","9","o668","o670","10.1107/S0108270104017792","","","0.71073","MoKα","","0.0354","0.0302","","","0.0739","0.076","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014287","9.817","0.002","10.797","0.005","13.523","0.007","72.85","0.04","88.21","0.03","63.55","0.03","1217.8","1","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","Chloro(phenyl)(1H-pyrazole-κN^2^)(triphenylphosphine)palladium(II)","","- C27 H24 Cl N2 P Pd -","- C27 H24 Cl N2 P Pd -","- C54 H48 Cl2 N4 P2 Pd2 -","2","1","TA1458","Canty, Allan J.; Skelton, Brian W.; White, Allan, H.","Chloro(phenyl)(1<i>H</i>-pyrazole-κ<i>N</i>^2^)(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section C","2004","60","8","m405","m406","10.1107/S010827010401491X","","","0.71073","MoKα","","0.038","0.035","","0.101","","0.076","","","1.278","","","1.018","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014288","16.03","0.004","11.726","0.003","7.7024","0.0015","90","","100.298","0.017","90","","1424.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","8-hydroxyquinolinium orthanilate","8-hydroxyquinolinium 2-aminobenzenesulfonate","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C60 H56 N8 O16 S4 -","4","1","TA1460","Graham Smith; Urs D. Wermuth; Peter C. Healy","Hydrogen bonding in proton-transfer compounds of 8-quinolinol (oxine) with aromatic sulfonic acids","Acta Crystallographica Section C","2004","60","8","o600","o603","10.1107/S0108270104015057","","","0.71069","MoKα","","0.0967","0.0456","","","0.1171","0.1631","","","","","","0.895","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014289","15.857","0.004","17.667","0.007","6.977","0.004","90","","95.78","0.04","90","","1944.6","1.4","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","8-hydroxyquinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate sesquihydrate","","","- C18 H16 I N2 O6.5 S -","- C18 H16 I N2 O6.5 S -","- C72 H64 I4 N8 O26 S4 -","4","1","TA1460","Graham Smith; Urs D. Wermuth; Peter C. Healy","Hydrogen bonding in proton-transfer compounds of 8-quinolinol (oxine) with aromatic sulfonic acids","Acta Crystallographica Section C","2004","60","8","o600","o603","10.1107/S0108270104015057","","","0.71069","MoKα","","0.0686","0.0486","","","0.1373","0.1576","","","","","","0.894","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014290","6.644","0.001","8.042","0.002","9.75","0.002","104.7","0.03","107.89","0.03","101.16","0.03","458.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","magnesium hydrogen arsenate","heptamagnesium bis(arsenate) tetrakis(hydrogenarsenate)","","- As6 H4 Mg7 O24 -","- As6 H4 Mg7 O24 -","- As6 H4 Mg7 O24 -","1","0.5","TA1465","Kolitsch, Uwe; Bartu, Petr","Mg~7~(AsO~4~)~2~(HAsO~4~)~4~: a new magnesium arsenate with a very strong hydrogen bond","Acta Crystallographica Section C","2004","60","9","i94","i96","10.1107/S010827010401813X","","","0.71073","MoKα","","0.0297","0.0252","","","0.0598","0.0614","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014291","8.5404","0.0006","7.3459","0.0005","18.3735","0.0011","90","","103.045","0.002","90","","1122.95","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[μ-nicotinato-bis[dioxomolybdenum(VI)]-di-μ~3~-oxo] monohydrate","","- C6 H7 Mo2 N O9 -","- C6 H7 Mo2 N O9 -","- C24 H28 Mo8 N4 O36 -","4","1","TA1466","Shu-Mei Chen; Can-Zhong Lu; Ya-Qin Yu; Quan-Zheng Zhang; Xiang He","<i>catena</i>-Poly[[[μ-pyridinium-3-carboxylato-bis[dioxomolybdenum(VI)]]-di-μ~3~-oxo] monohydrate]","Acta Crystallographica Section C","2004","60","9","m437","m439","10.1107/S0108270104016944","","","0.71073","MoKα","","","0.0411","","","0.1054","0.1258","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014292","6.899","0.0009","6.9441","0.0006","9.6383","0.001","85.517","0.008","71.498","0.009","67.037","0.008","402.63","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","hexa-μ~2~-aqua-μ~6~oxalato-dibarium(II) diisothiocyanate diisothiocyanate","","- C4 H12 Ba2 N2 O10 S2 -","- C4 H12 Ba2 N2 O10 S2 -","- C4 H12 Ba2 N2 O10 S2 -","1","0.5","TR1090","Peresypkina, Eugenia V.; Virovets, Alexander V.; Akhmerkina, Jeanne V.; Serezhkina, Larisa B.","{[Ba~2~(C~2~O~4~)(H~2~O)~6~](NCS)~2~}~<i>n~</i>: a layered mixed-anion barium oxalate","Acta Crystallographica Section C","2004","60","7","m355","m356","10.1107/S0108270104010339","","","0.71073","MoKα","","0.0461","0.0396","","","0.1253","0.1568","","","","","","1.188","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014293","8.1968","0.0012","12.39","0.002","16.409","0.005","90","","91.23","0.02","90","","1666.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,6-Bis(2-pyridyl)di-1,2,4-triazolo[3,4-a:4',3'-c]phthalazine","","- C20 H12 N8 -","- C20 H12 N8 -","- C80 H48 N32 -","4","1","TR1093","Chang, Wen-Fu; Wen, Yuh-Sheng; Liu, Ling-Kang","3,6-Bis(2-pyridyl)di-1,2,4-triazolo[3,4-<i>a</i>:4',3'-<i>c</i>]phthalazine","Acta Crystallographica Section C","2004","60","9","o665","o667","10.1107/S0108270104016737","","","0.71073","MoKα","","0.059","0.0333","","","0.0833","0.0949","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014294","20.224","0.005","4.991","0.005","13.365","0.005","90","","97.727","0.005","90","","1336.8","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(4-Methoxybenzylamino)purin-3-ium chloride","","- C13 H14 Cl N5 O -","- C13 H14 Cl N5 O -","- C52 H56 Cl4 N20 O4 -","4","1","TR1094","Trávníček, Zdeněk; Popa, Igor; Doležal, Karel","6-(4-Methoxybenzylamino)purin-3-ium chloride","Acta Crystallographica Section C","2004","60","9","o662","o664","10.1107/S0108270104016749","","","0.71073","MoKα","","0.0505","0.0345","","","0.0759","0.0821","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014419","7.2985","0.0015","19.4347","0.0019","12.6638","0.0016","90","","93.02","0.001","90","","1793.8","0.5","295","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 F2 N2 O2 S -","- C21 H14 F2 N2 O2 S -","- C84 H56 F8 N8 O8 S4 -","4","1","AV1196","Özbey, Süheyla; Gökhan, Nesrin","6-(3,4-Difluorobenzoyl)-3-[2-(4-pyridyl)ethyl]-1,3-benzothiazol-2(3<i>H</i>)-one","Acta Crystallographica Section C","2004","60","10","o737","o739","10.1107/S0108270104019730","","","0.71073","MoKα","","","0.0408","","","","0.1203","","","","","","1.016","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014420","9.983","0.002","31.58","0.006","10.192","0.002","90","","111.55","0.03","90","","2988.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","zafirlukast monohydrate","4-(5-cyclopentyloxycarbonylamino-1-methylindol- 3-ylmethyl)-3-methoxy-N-(o-tolylsulfonyl)benzamide monohydrate","","- C31 H35 N3 O7 S -","- C31 H35 N3 O7 S -","- C124 H140 N12 O28 S4 -","4","1","AV1199","Goldring, Dmitry; Botoshansky, Mark; Khalfin, Rafail L.; Pertsikov, Boris; Nisnevitch, Gennady; Ponomarev, Victor; Zaltzman, Igor; Gutman, Arie; Kaftory, Menahem","Solvates of zafirlukast","Acta Crystallographica Section C","2004","60","12","o843","o846","10.1107/S0108270104024771","","","0.7107","MoKα","","0.1102","0.0597","","","0.1621","0.1919","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014421","17.002","0.003","11.111","0.002","17.129","0.003","90","","105.94","0.02","90","","3111.4","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","zafirlukast methanol solvate","4-(5-cyclopentyloxycarbonylamino-1-methylindol- 3-ylmethyl)-3-methoxy-N-(o-tolylsulfonyl)benzamide methanol solvate","","- C32 H37 N3 O7 S -","- C32 H37 N3 O7 S -","- C128 H148 N12 O28 S4 -","4","1","AV1199","Goldring, Dmitry; Botoshansky, Mark; Khalfin, Rafail L.; Pertsikov, Boris; Nisnevitch, Gennady; Ponomarev, Victor; Zaltzman, Igor; Gutman, Arie; Kaftory, Menahem","Solvates of zafirlukast","Acta Crystallographica Section C","2004","60","12","o843","o846","10.1107/S0108270104024771","","","0.7107","MoKα","","0.0949","0.0481","","","0.1148","0.138","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014422","17.216","0.003","11.033","0.002","18.258","0.004","90","","109.47","0.03","90","","3269.7","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","zafirlukast ethanol solvate","4-(5-cyclopentyloxycarbonylamino-1-methylindol- 3-ylmethyl)-3-methoxy-N-(o-tolylsulfonyl)benzamide ethanol solvate","","- C33 H39 N3 O7 S -","- C33 H39 N3 O7 S -","- C132 H156 N12 O28 S4 -","4","1","AV1199","Goldring, Dmitry; Botoshansky, Mark; Khalfin, Rafail L.; Pertsikov, Boris; Nisnevitch, Gennady; Ponomarev, Victor; Zaltzman, Igor; Gutman, Arie; Kaftory, Menahem","Solvates of zafirlukast","Acta Crystallographica Section C","2004","60","12","o843","o846","10.1107/S0108270104024771","","","0.7107","MoKα","","0.1523","0.0498","","","0.0962","0.1144","","","","","","0.808","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014423","4.971","0.002","6.558","0.003","17.274","0.008","86.009","0.009","86.729","0.008","72.526","0.008","535.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-Diaquabis(5-carboxy-1H-imidazole-4-carboxylato-κ^2^N^3^,O^4^)cobalt(II) 4,4'-bipyridine solvate","","- C20 H18 Co N6 O10 -","- C20 H18 Co N6 O10 -","- C20 H18 Co N6 O10 -","1","0.5","AV1204","Yu-Ling Wang; Rong Cao; Wen-Hua Bi","<i>trans</i>-Diaquabis(5-carboxy-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II) 4,4'-bipyridine solvate","Acta Crystallographica Section C","2004","60","12","m609","m611","10.1107/S0108270104024783","","","0.71073","MoKα","","0.0357","0.0342","","","0.0851","0.0864","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014424","8.4069","0.0009","11.71","0.001","8.1075","0.0009","90","","90","","90","","798.14","0.14","300","2","300","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[methylammonium [tris(μ~2~-formato-κ^2^O:O')cobalt(II)]]","","- C4 H9 Co N O6 -","- C4 H9 Co N O6 -","- C16 H36 Co4 N4 O24 -","4","0.5","AV1205","Boča, Miroslav; Ingrid Svoboda; Franz Renz; Hartmut Fuess","Poly[methylammonium tris(μ~2~-formato-κ^2^<i>O</i>:<i>O</i>')cobalt(II)]","Acta Crystallographica Section C","2004","60","12","m631","m633","10.1107/S0108270104025776","","","0.71073","MoKα","","0.0869","0.0494","","","0.1336","0.1595","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014425","29.5645","0.0013","18.0613","0.0007","6.5961","0.0003","90","","90","","90","","3522.1","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","Poly[[μ~2~-aqua-bis[(1,10-phenanthroline)copper(II)]-di-μ~2~,μ~4~-5-nitro- 1,3-benzenedicarboxylato]","","- C40 H24 N6 Ni2 O13 -","- C40 H24 N6 Ni2 O13 -","- C160 H96 N24 Ni8 O52 -","4","0.5","AV1206","He, Hong-Yin; Zhou, Yi-Li; Zhu, Long-Guan","Poly[[μ~2~-aqua-bis[(1,10-phenanthroline)nickel(II)]]-di-μ~2~,μ~4~-5-nitro-1,3-benzenedicarboxylato]","Acta Crystallographica Section C","2004","60","11","m569","m571","10.1107/S0108270104023431","","","0.71073","MoKα","","0.0526","0.0484","","","0.1051","0.1075","","","","","","1.151","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014426","12.3982","0.0005","7.1029","0.0003","14.8428","0.0006","90","","108.969","0.001","90","","1236.12","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(η^6^-Biphenyl)tricarbonylchromium","","- C15 H10 Cr O3 -","- C15 H10 Cr O3 -","- C60 H40 Cr4 O12 -","4","1","AV1212","Ilia A. Guzei; Curtis J. Czerwinski","(η^6^-Biphenyl)tricarbonylchromium and μ-(η^6^:η^6^)-biphenyl-bis(tricarbonylchromium)","Acta Crystallographica Section C","2004","60","12","m615","m617","10.1107/S0108270104025958","","","0.71073","MoKα","","0.0266","0.025","","","0.0705","0.0719","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014427","10.7256","0.0012","10.6894","0.0012","7.1789","0.0008","90","","104.875","0.002","90","","795.48","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[μ-(η^6^:η^6^)-biphenyl]bis(tricarbonylchromium)","","- C18 H10 Cr2 O6 -","- C18 H10 Cr2 O6 -","- C36 H20 Cr4 O12 -","2","0.5","AV1212","Ilia A. Guzei; Curtis J. Czerwinski","(η^6^-Biphenyl)tricarbonylchromium and μ-(η^6^:η^6^)-biphenyl-bis(tricarbonylchromium)","Acta Crystallographica Section C","2004","60","12","m615","m617","10.1107/S0108270104025958","","","0.71073","MoKα","","0.0344","0.0323","","","0.0892","0.0911","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014428","10.1055","0.0009","11.6854","0.0011","15.7236","0.0014","90","","102.415","0.002","90","","1813.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[bis(pyridine-κN)copper(II)]-μ~3~-5-hydroxyisophthalato-k^3^O:O':O'']","","- C18 H14 Cu N2 O5 -","- C18 H14 Cu N2 O5 -","- C72 H56 Cu4 N8 O20 -","4","1","AV1213","Xin-Yi Cao; Jian Zhang; Yao Kang; Jian-Kai Cheng; Yuan-Gen Yao","Poly[[bis(pyridine-κ<i>N</i>)copper(II)]-μ~3~-5-hydroxyisophthalato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","2004","60","12","m654","m656","10.1107/S0108270104027660","","","0.71073","MoKα","","","0.0712","","","0.1699","0.1924","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014429","6.1463","0.0012","6.3856","0.0013","6.3894","0.0013","92.52","0.03","107.65","0.03","108.29","0.03","224.19","0.1","293","2","200","2","","","","","","","","3","P -1","-P 1","2","ν-dysprosium orthoborate","Dysprosium borate","","- B Dy O3 -","- B Dy O3 -","- B4 Dy4 O12 -","4","2","BC1055","Emme, Holger; Huppertz, Hubert","High-pressure synthesis of ν-DyBO~3~","Acta Crystallographica Section C","2004","60","12","i117","i119","10.1107/S0108270104024205","","","0.71073","MoKα","","0.0293","0.0218","","","0.0498","0.0513","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014430","9.1067","0.0011","10.9344","0.0013","10.4425","0.0013","90","","107.602","0.002","90","","991.1","0.2","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis(3,5-dimethylpyrazole-1-carboxamidine-κ^2^N,N')cobalt(II) dinitrate","","- C12 H24 Co N10 O8 -","- C12 H24 Co N10 O8 -","- C24 H48 Co2 N20 O16 -","2","0.5","BM1571","Jaćimović, Željko K.; Leovac, Vukadin, M.; Mészáros Szécsényi, Katalin; Howard, Judith A. K.; Radosavljević Evans, Ivana","Transition metal complexes with pyrazole-based ligands. XIX. Diaquabis(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')metal(II) dinitrate, with metal = Co and Ni","Acta Crystallographica Section C","2004","60","10","m467","m470","10.1107/S0108270104017433","","","0.71073","MoKα","","0.0273","0.0268","","0.062","0.062","0.062","","","","","","0.9832","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014431","9.077","0.003","10.866","0.004","10.456","0.003","90","","107.251","0.015","90","","984.9","0.6","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis(3,5-dimethylpyrazole-1-carboxamidine-κ^2^N,N')nickel(II) dinitrate","","- C12 H24 N10 Ni O8 -","- C12 H24 N10 Ni O8 -","- C24 H48 N20 Ni2 O16 -","2","0.5","BM1571","Jaćimović, Željko K.; Leovac, Vukadin, M.; Mészáros Szécsényi, Katalin; Howard, Judith A. K.; Radosavljević Evans, Ivana","Transition metal complexes with pyrazole-based ligands. XIX. Diaquabis(3,5-dimethyl-1<i>H</i>-pyrazole-1-carboxamidine-κ^2^<i>N</i>,<i>N</i>')metal(II) dinitrate, with metal = Co and Ni","Acta Crystallographica Section C","2004","60","10","m467","m470","10.1107/S0108270104017433","","","0.71073","MoKα","","0.029","0.0263","","0.0648","0.0623","0.0623","","","","","","0.9759","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014434","8.909","0.0012","7.184","0.0008","10.494","0.0011","90","","98.83","0.009","90","","663.68","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Mikanolide","7,10a-dimethyl-1a,1b,2a,6a,7,9a,10,10a-octahydro-4H-6,3- methenofuro[3,2-c]bisoxireno[f,h]oxacycloundecin-4,8(6H)-dione or 1,10:2,3-diepoxy-6,8-dihydroxygermacr-4-ene-11-vinyl-12,14- di-γ-lactone","","- C15 H14 O6 -","- C15 H14 O6 -","- C30 H28 O12 -","2","1","BM1574","Bakir, Mohammed; Facey, Petrea C.; Hassan, Ishmael; Mulder, Willem H.; Porter, Roy B.","Mikanolide from Jamaican <i>Mikania micrantha</i>","Acta Crystallographica Section C","2004","60","11","o798","o800","10.1107/S0108270104017809","","","0.71073","MoKα","","0.0457","0.0369","","","0.0931","0.098","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014435","9.733","0.005","6.725","0.003","17.066","0.009","90","","102.922","0.008","90","","1088.8","0.9","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br Cu N O3 -","- C11 H8 Br Cu N O3 -","- C44 H32 Br4 Cu4 N4 O12 -","4","1","BM1576","Wang, Yu-Hong; Lū, Fang","A one-dimensional carboxylate-bridged helical copper(II) complex containing (quinolin-8-yloxy)acetate","Acta Crystallographica Section C","2004","60","11","m557","m559","10.1107/S0108270104022048","","","0.71073","MoKα","","0.0701","0.0631","","","0.149","0.154","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014436","10.6025","0.0011","11.9199","0.0012","12.418","0.0013","64.611","0.002","82.672","0.002","66.33","0.002","1296.7","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2,2'-bis(allyloxy)-5,5'-di-tert-butyl-3,3'-methanediyldibenzenemethanol","","- C29 H40 O4 -","- C29 H40 O4 -","- C58 H80 O8 -","2","1","BM1580","Goetz, Sandrine; Barreira Fontecha, Julia; McKee, Vickie","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde and its allyl-protected dialcohol and dialdehyde precursors","Acta Crystallographica Section C","2004","60","11","o776","o780","10.1107/S010827010402089X","","","0.71073","MoKα","","0.0885","0.0572","","","0.1512","0.1729","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014437","16.2931","0.001","10.1951","0.0006","16.4318","0.001","90","","108.367","0.001","90","","2590.4","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-bis(allyloxy)-5,5'-di-tert-butyl-3,3'-methanediyldibenzaldehyde","","- C29 H36 O4 -","- C29 H36 O4 -","- C116 H144 O16 -","4","1","BM1580","Goetz, Sandrine; Barreira Fontecha, Julia; McKee, Vickie","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde and its allyl-protected dialcohol and dialdehyde precursors","Acta Crystallographica Section C","2004","60","11","o776","o780","10.1107/S010827010402089X","","","0.71073","MoKα","","0.0571","0.0431","","","0.1108","0.1226","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014438","12.793","0.0007","12.793","0.0007","24.158","0.002","90","","90","","90","","3953.7","0.4","150","2","150","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","5,5'-di-tert-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde","","- C23 H28 O4 -","- C23 H28 O4 -","- C184 H224 O32 -","8","0.5","BM1580","Goetz, Sandrine; Barreira Fontecha, Julia; McKee, Vickie","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde and its allyl-protected dialcohol and dialdehyde precursors","Acta Crystallographica Section C","2004","60","11","o776","o780","10.1107/S010827010402089X","","","0.71073","MoKα","","0.0718","0.0433","","","0.0993","0.1203","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014439","26.809","0.002","8.4543","0.0007","21.372","0.0018","90","","120.618","0.001","90","","4168.7","0.6","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,2'‒Dihydroxy‒5,5'‒di‒tert‒butyl‒3,3'‒ methanediyldibenzaldehyde","","- C23 H28 O4 -","- C23 H28 O4 -","- C184 H224 O32 -","8","1","BM1580","Goetz, Sandrine; Barreira Fontecha, Julia; McKee, Vickie","5,5'-Di-<i>tert</i>-butyl-2,2'-dihydroxy-3,3'-methanediyldibenzaldehyde and its allyl-protected dialcohol and dialdehyde precursors","Acta Crystallographica Section C","2004","60","11","o776","o780","10.1107/S010827010402089X","","","0.71073","MoKα","","0.0902","0.0471","","","0.1053","0.1316","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014440","19.9772","0.0014","19.9588","0.0014","15.6622","0.0011","90","","93.014","0.004","90","","6236.2","0.8","133","2","133","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Quinoline-2(1H)-thione","","- C9 H7 N S -","- C9 H7 N S -","- C288 H224 N32 S32 -","32","8","BM1582","Kuś, Piotr; Jones, Peter G.","Quinoline-2(1<i>H</i>)-thione, a structure with <i>Z</i>' = 8","Acta Crystallographica Section C","2004","60","12","o865","o867","10.1107/S0108270104025636","","","0.71073","MoKα","","0.0453","0.0339","","","0.074","0.0778","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014441","6.2478","0.0004","12.6754","0.0008","15.4525","0.0008","96.52","0.004","95.9","0.004","103.883","0.004","1169.53","0.12","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","3-bromopyridinium tribromoacetate","","- C7 H5 Br4 N O2 -","- C7 H5 Br4 N O2 -","- C28 H20 Br16 N4 O8 -","4","2","BM1583","Jones, Peter G.; Lozano, Virginia","Secondary interactions in 3-bromopyridinium tribromoacetate","Acta Crystallographica Section C","2004","60","12","o876","o878","10.1107/S0108270104024977","","","0.71073","MoKα","","0.0455","0.0284","","","0.0537","0.056","","","","","","0.923","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014442","8.8919","0.0018","11.08","0.002","18.579","0.004","90","","92.4","0.03","90","","1828.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diethylenediammonium decaaquadisodium decavanadate","","- C4 H40 N4 Na2 O38 V10 -","- C4 H40 N4 Na2 O38 V10 -","- C8 H80 N8 Na4 O76 V20 -","2","0.5","BM1587","Guo-Bao Li; Si-Hai Yang; Ming Xiong; Jian-Hua Lin","Bis(ethylenediammonium) decaaquadisodium decavanadate, (C~2~H~10~N~2~)~2~[Na~2~(H~2~O)~10~][V~10~O~28~]","Acta Crystallographica Section C","2004","60","12","m612","m614","10.1107/S0108270104025648","","","0.71073","MoKα","","0.0475","0.0387","","","0.114","0.119","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014443","9.081","0.002","10.671","0.003","12.415","0.003","95.131","0.004","98.598","0.004","98.689","0.004","1168.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis(tetra-n-butylammonium) (μ-N,N'-diselenium dinitride)bis[tribromopalladate(II)]","","- C32 H72 Br6 N4 Pd2 Se2 -","- C32 H72 Br6 N4 Pd2 Se2 -","- C32 H72 Br6 N4 Pd2 Se2 -","1","0.5","BM1591","Aucott, Stephen M.; Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; James, Sarah L. M.; Kelly, Paul F.","Bis(tetra-<i>n</i>-butylammonium) (μ-<i>N</i>,<i>N</i>'-diselenium dinitride)bis[tribromopalladate(II)]","Acta Crystallographica Section C","2004","60","12","m643","m644","10.1107/S0108270104027040","","","0.71073","MoKα","","0.074","0.0504","","","0.121","0.131","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014444","6.775","0.002","10.762","0.003","14.731","0.004","90","","92.561","0.004","90","","1073","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-dimethylbiguanidium oxalate hydrate","","- C6 H15 N5 O5 -","- C6 H15 N5 O5 -","- C24 H60 N20 O20 -","4","1","DE1242","Lu, Li-Ping; Zhang, Hong-Mei; Feng, Si-Si; Zhu, Miao-Li","Two <i>N</i>,<i>N</i>-dimethylbiguanidium salts displaying double hydrogen bonds to the counter-ions","Acta Crystallographica Section C","2004","60","10","o740","o743","10.1107/S010827010401786X","","","0.71073","MoKα","","0.0695","0.0459","","","0.0923","0.1018","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014445","7.056","0.003","8.862","0.004","9.462","0.004","99.83","0.006","96.02","0.007","110.099","0.007","538.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N-dimethylbiguanidium sulfate hydrate","","- C4 H15 N5 O5 S -","- C4 H15 N5 O5 S -","- C8 H30 N10 O10 S2 -","2","1","DE1242","Lu, Li-Ping; Zhang, Hong-Mei; Feng, Si-Si; Zhu, Miao-Li","Two <i>N</i>,<i>N</i>-dimethylbiguanidium salts displaying double hydrogen bonds to the counter-ions","Acta Crystallographica Section C","2004","60","10","o740","o743","10.1107/S010827010401786X","","","0.71073","MoKα","","0.0553","0.0442","","","0.126","0.1619","","","","","","1.181","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014447","3.683","0.001","21.856","0.004","11.296","0.003","90","","96.32","0.02","90","","903.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl(tropolonato)rhodium(I)","","- C9 H5 O4 Rh -","- C9 H5 O4 Rh -","- C36 H20 O16 Rh4 -","4","1","DE1251","Steyl, Gideon; Roodt, Andreas; Kruger, Gert J.","Dicarbonyl(tropolonato)rhodium(I), a redetermination","Acta Crystallographica Section C","2004","60","10","m473","m475","10.1107/S0108270104019304","","","0.71069","MoKα","","0.1121","0.0512","","","0.0992","0.1196","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014448","9.8044","0.0007","21.3628","0.0013","29.2053","0.0015","90","","90","","90","","6117","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-Chloro-1,3,3,5,5-pentaphenoxycyclotriphosphazene","","- C30 H25 Cl N3 O5 P3 -","- C30 H25 Cl N3 O5 P3 -","- C240 H200 Cl8 N24 O40 P24 -","8","1","DN1053","Sopková-de Oliveira Santos, Jana; Bauchart, Diane; Besset, Celine; Dez, Isabelle","1-Chloro-1,3,3,5,5-pentaphenoxycyclotriphosphazene: a precursor of functionalized cyclophosphazene derivatives","Acta Crystallographica Section C","2004","60","10","o751","o753","10.1107/S0108270104018190","","","0.71073","MoKα","","0.123","0.0512","","","0.1251","0.1534","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014449","10.7136","0.0005","12.6846","0.0008","13.1078","0.0009","90","","90","","90","","1781.32","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","catharanthinol","catharanthinol methanol solvate","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","DN1063","Moisan, Lionel; Doris, Eric; Rousseau, Bernard; Thuéry, Pierre","Catharanthinol and dihydrocatharanthinol: two Iboga-class alkaloids","Acta Crystallographica Section C","2004","60","11","o792","o794","10.1107/S0108270104021808","","","0.71073","MoKα","","0.0509","0.0407","","","0.0845","0.0895","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014450","10.6728","0.0004","12.0168","0.0006","12.8132","0.0007","90","","90","","90","","1643.33","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","dihydrocatharanthinol","dihydrocatharanthinol monohydrate","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","DN1063","Moisan, Lionel; Doris, Eric; Rousseau, Bernard; Thuéry, Pierre","Catharanthinol and dihydrocatharanthinol: two Iboga-class alkaloids","Acta Crystallographica Section C","2004","60","11","o792","o794","10.1107/S0108270104021808","","","0.71073","MoKα","","0.0424","0.0353","","","0.0839","0.0882","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014451","17.326","0.005","12.054","0.005","10.125","0.005","90","","116.27","0.01","90","","1896.2","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dicyano[2,13-dimethyl-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca- 1(18),2,12,14,16-pentaene]iron(II)","","- C17 H23 Fe N5 O3 -","- C17 H23 Fe N5 O3 -","- C68 H92 Fe4 N20 O12 -","4","0.5","DN1065","Philippe Guionneau; José Sánchez Costa; Jean-François Létard","Revisited crystal symmetry of the high-spin form of the iron(II) spin-crossover complex dicyano[2,13-dimethyl-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene]iron(II) monohydrate","Acta Crystallographica Section C","2004","60","11","m587","m589","10.1107/S010827010402445X","","","0.71069","MoKα","","0.0541","0.0382","","","0.0858","0.0935","","","","","","1.085","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014452","5.291","0.0013","10.118","0.003","12.895","0.005","109.44","0.03","98.64","0.02","99.57","0.02","626","0.4","293","2","","","","","","","","","","4","P -1","-P 1","2","Sodium trihydrogen bis(cyclopropane-1,1-dicarboxylate) monohydrate","Sodium 1-carboxycyclopropane-1-carboxylate cyclopropane-1,1-dicarboxylic acid monohydrate","","- C10 H13 Na O9 -","- C10 H13 Na O9 -","- C20 H26 Na2 O18 -","2","1","DN1070","Muir, Kenneth W.; Macdonald, Alistair; Macdonald, Alan","Sodium 1-carboxycyclopropane-1-carboxylate cyclopropane-1,1-dicarboxylic acid monohydrate","Acta Crystallographica Section C","2004","60","12","m645","m647","10.1107/S0108270104027052","","","0.71073","MoKα","","","0.051","","","","0.15","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014453","7.8752","0.0006","4.7971","0.0002","14.0735","0.0006","90","","95.835","0.007","90","","528.92","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaqua-μ~4~-oxalato-di-μ~6~-phosphatotetrazinc]","","- C2 H4 O14 P2 Zn4 -","- C2 H4 O14 P2 Zn4 -","- C4 H8 O28 P4 Zn8 -","2","0.5","FA1070","You-Ju Zhong; Yan-Qiong Sun; Guo-Yu Yang","Poly[diaqua-μ~4~-oxalato-di-μ~6~-phosphato-tetrazinc]","Acta Crystallographica Section C","2004","60","10","m504","m506","10.1107/S0108270104020268","","","0.7107","MoKα","","0.0258","0.0228","","","0.0627","0.066","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014454","14.9903","0.0017","15.3555","0.0018","21.022","0.003","90","","90","","90","","4838.9","1","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Dicyanamido-κN^1^)bis(1,10-phenanthroline-κ^2^N,N')copper(II) perchlorate","","- C26 H16 Cl Cu N7 O4 -","- C26 H16 Cl Cu N7 O4 -","- C208 H128 Cl8 Cu8 N56 O32 -","8","1","FA1074","Burčák, Milan; Potočňák, Ivan; Baran, Peter; Jäger, Lothar","Low-dimensional compounds containing cyano groups. X. (Dicyanamido-κ<i>N</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate","Acta Crystallographica Section C","2004","60","12","m601","m604","10.1107/S0108270104018244","","","0.71073","MoKα","","0.1348","0.0569","","","0.131","0.1691","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014455","10.5927","0.0013","12.0359","0.0015","12.1655","0.0015","107.09","0.002","110.399","0.002","93.876","0.002","1364.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Poly[bis(2,2'-bipyridyl)bis(μ~3~-hydrogen phosphato)nitrato-di-μ~2~oxo-dicopper(II)vanadium dihydrate]","","- C20 H22 Cu2 N5 O15 P2 V -","- C20 H22 Cu2 N5 O15 P2 V -","- C40 H44 Cu4 N10 O30 P4 V2 -","2","1","FA1078","Moreno, Yanko; Vega, Andrés; Spodine, Evgenia; Ushak, Esvetlana; Baggio, Ricardo","Comparative study of two chemically isostructural polymers: [Cu~2~(VO~2~)(HPO~4~)~2~(NO~3~)(bpy)~2~]·2H~2~O/H~3~PO~4~ (bpy is 2,2'-bipyridine)","Acta Crystallographica Section C","2004","60","10","m484","m488","10.1107/S0108270104019687","","","0.71073","MoKα","","0.0697","0.0429","","","0.0782","0.0854","","","","","","0.829","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014456","9.8343","0.0013","10.4632","0.0014","14.321","0.0019","72.07","0.002","89.9","0.002","80.651","0.002","1381.6","0.3","299","2","299","2","","","","","","","","7","P -1","-P 1","2","","Poly[bis(2,2'-bipyridyl)bis(μ~3~-hydrogen phosphato)nitrato-di-μ~2~oxo-dicopper(II)vanadium phosphoric acid solvate]","","- C20 H21 Cu2 N5 O17 P3 V -","- C20 H21 Cu2 N5 O17 P3 V -","- C40 H42 Cu4 N10 O34 P6 V2 -","2","1","FA1078","Moreno, Yanko; Vega, Andrés; Spodine, Evgenia; Ushak, Esvetlana; Baggio, Ricardo","Comparative study of two chemically isostructural polymers: [Cu~2~(VO~2~)(HPO~4~)~2~(NO~3~)(bpy)~2~]·2H~2~O/H~3~PO~4~ (bpy is 2,2'-bipyridine)","Acta Crystallographica Section C","2004","60","10","m484","m488","10.1107/S0108270104019687","","","0.71073","MoKα","","0.1052","0.0469","","","0.0992","0.1606","","","","","","0.852","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014457","10.0637","0.0005","11.1455","0.0008","17.5089","0.0009","90","","103.046","0.004","90","","1913.2","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena-poly[trans-bis[N-(2-hydroxyethyl)ethylenediamine]cadmium(II)-μ-cyano- dicyanonickelate(II)-μ-cyano]","catena-poly[[μ-cyano-1:2κ^2^C:N-dicyano-1κ^2^C-trans-bis[N-(2- hydroxyethyl)ethane-1,2-diamine-2κ^2^N,N']cadmium(II)nickel(II)]-μ-cyano- 1:2'κ^2^C:N]","","- C12 H24 Cd N8 Ni O2 -","- C12 H24 Cd N8 Ni O2 -","- C48 H96 Cd4 N32 Ni4 O8 -","4","0.5","FA1079","Karadağ, Ahmet; Paşaoğlu, Hümeyra; Kaştaş, Gökhan; Büyükgüngör, Orhan","Polymeric μ-cyano-dicyanonickelate(II)-μ-cyano-<i>trans</i>-bis[<i>N</i>-(2-hydroxyethyl)ethylenediamine]cadmium(II)","Acta Crystallographica Section C","2004","60","11","m581","m583","10.1107/S0108270104021493","","","0.71073","MoKα","","0.0187","0.0162","","","0.0352","0.0358","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014458","19.5886","0.0014","13.8924","0.0009","8.3714","0.0003","90","","90","","90","","2278.1","0.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-[(1-methylpyrrol-2-yl)methylidene]-2,3-dihydro-1H-isoindol-2-one","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C112 H96 N16 O8 -","8","1","FA1085","Bonnett, Raymond; Motevalli, Majid; Swanson,Fiona J.; Vallés, María Asunción","11-Methyl-2,3-benzodipyrrin-1-one","Acta Crystallographica Section C","2004","60","12","o890","o892","10.1107/S0108270104026708","","","0.71073","MoKα","","0.1171","0.0542","","","0.1093","0.1301","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014459","3.9541","0.0005","37.484","0.005","7.7173","0.0009","90","","99.338","0.002","90","","1128.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Acetamido-4-p-tolyl-1,3-thiazole","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C48 H48 N8 O4 S4 -","4","1","FA1090","Lynch, Daniel E.; McClenaghan, Ian","2-Acetamido-4-<i>p</i>-tolyl-1,3-thiazole and 2-amino-4-<i>p</i>-tolyl-1,3-thiazolium chloride dihydrate","Acta Crystallographica Section C","2004","60","11","o815","o817","10.1107/S0108270104023418","","","0.6894","synchrotron","","0.0776","0.0491","","","0.1147","0.126","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014460","6.8815","0.0006","9.3072","0.0014","19.499","0.003","90","","90","","90","","1248.9","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-amino-4-tolyl-1,3-thiazolium chloride dihydrate","","- C10 H15 Cl N2 O2 S -","- C10 H15 Cl N2 O2 S -","- C40 H60 Cl4 N8 O8 S4 -","4","1","FA1090","Lynch, Daniel E.; McClenaghan, Ian","2-Acetamido-4-<i>p</i>-tolyl-1,3-thiazole and 2-amino-4-<i>p</i>-tolyl-1,3-thiazolium chloride dihydrate","Acta Crystallographica Section C","2004","60","11","o815","o817","10.1107/S0108270104023418","","","0.71073","MoKα","","0.0969","0.0628","","","0.1383","0.1523","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014461","6.457","0.003","25.594","0.007","7.111","0.003","90","","106.488","0.003","90","","1126.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(benzoato-κO)silver(I)]-μ-2-aminopyrimidine-κ^2^N^1^:N^3^]","","- C11 H10 Ag N3 O2 -","- C11 H10 Ag N3 O2 -","- C44 H40 Ag4 N12 O8 -","4","1","FA1091","You, Zhong-Lu; Zhu, Hai-Liang","<i>catena</i>-Poly[[(benzoato-κ<i>O</i>)silver(I)]-μ-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section C","2004","60","12","m623","m624","10.1107/S0108270104024424","","","0.71073","MoKα","","0.0729","0.0574","","","0.1191","0.1249","","","","","","1.184","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014462","8.2442","0.0014","9.4534","0.0016","9.5475","0.0015","92.594","0.003","94.243","0.003","100.571","0.003","728.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4,4'-Thiodipyridinium tetrachlorocopper(II)","","- C10 H10 Cl4 Cu N2 S -","- C10 H10 Cl4 Cu N2 S -","- C20 H20 Cl8 Cu2 N4 S2 -","2","1","FA1093","Yi-Hang Wen; Jian-Kai Cheng; Jian Zhang; Zhao-Ji Li; Yuan-Gen Yao","4,4'-Thiodipyridinium tetrachlorocopper(II)","Acta Crystallographica Section C","2004","60","12","m618","m619","10.1107/S0108270104026332","","","0.71073","MoKα","","","0.0737","","","0.1483","0.1781","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014463","18.816","0.005","6.645","0.003","19.12","0.02","90","","101.77","0.03","90","","2340","3","298","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(cumylcyclopentadienyl) dichlorotitanium(IV)","","- C28 H30 Cl2 Ti -","- C28 H30 Cl2 Ti -","- C112 H120 Cl8 Ti4 -","4","0.5","FA1100","Roberto Centore; Zsolt Csok; Angela Tuzi","Dichlorobis(cumylcyclopentadienyl)titanium(IV)","Acta Crystallographica Section C","2004","60","12","m625","m627","10.1107/S0108270104026344","","","0.71069","Mokα","","0.0643","0.046","","","0.1178","0.1279","","","","","","1.069","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014464","13.3571","0.0012","10.7473","0.001","15.7604","0.0015","90","","90.914","0.004","90","","2262.2","0.4","150","1","150","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1H-Imidazol-1-yl 1,2,3,4-tetrahydroisoquinolin-2-yl ketone","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C104 H104 N24 O8 -","8","1","FG1761","Grzyb, Justyna A.; Lough, Alan J.; Batey, Robert A.","1<i>H</i>-Imidazol-1-yl 1,2,3,4-tetrahydroisoquinolin-2-yl ketone","Acta Crystallographica Section C","2004","60","10","o730","o732","10.1107/S0108270104019195","","","0.71073","MoKα","","0.1003","0.0487","","","0.0999","0.1219","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014465","10.328","0.0012","13.2177","0.0014","13.1813","0.0016","90","","90","","90","","1799.4","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","catena-Poly[[diaquacadmium(II)]-μ-5-carboxy-1H-imidazole-4-carboxylato- κ^4^N^3^,O^4^:O^5^,N^1^]","","- C5 H6 Cd N2 O6 -","- C5 H6 Cd N2 O6 -","- C40 H48 Cd8 N16 O48 -","8","1","FG1767","Yan-Qiong Sun; Jie Zhang; Guo-Yu Yang","<i>catena</i>-Poly[[diaquacadmium(II)]-μ-5-carboxyimidazole-4-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>^5^:<i>O</i>^4^,<i>N</i>^3^]","Acta Crystallographica Section C","2004","60","11","m590","m591","10.1107/S0108270104024692","","","0.7107","MoKα","","0.0839","0.0511","","","0.1049","0.1201","","","","","","1.184","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014466","14.5787","0.0006","11.7099","0.0003","16.7701","0.0008","90","","109.691","0.002","90","","2695.5","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{2,6-Bis[(dimethylamino)methyl]pyridine-κ^3^N}(2,2-methylenediphenolato- κ^2^O,O')dioxouranium(VI) acetone solvate","","- C27 H35 N3 O5 U -","- C27 H35 N3 O5 U -","- C108 H140 N12 O20 U4 -","4","1","FG1769","Masci, Bernardo; Thuéry, Pierre","{2,6-Bis[(dimethylamino)methyl]pyridine-κ^3^<i>N</i>}(2,2-methylenediphenolato-κ^2^<i>O</i>,<i>O</i>')dioxouranium(VI) acetone solvate","Acta Crystallographica Section C","2004","60","11","m584","m586","10.1107/S010827010402431X","","","0.71073","MoKα","","0.0474","0.0311","","","0.0654","0.0709","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014467","7.8033","0.0002","15.1425","0.0005","12.7301","0.0003","90","","106.305","0.002","90","","1443.71","0.07","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","di-μ-bromo-bis{[2,6-bis(pyrazol-1-yl-κN^2^)pyridine-κN](perchlorato- κO)copper(II)}","","- C22 H18 Br2 Cl2 Cu2 N10 O8 -","- C22 H18 Br2 Cl2 Cu2 N10 O8 -","- C44 H36 Br4 Cl4 Cu4 N20 O16 -","2","1","FG1771","Chakrabarty, Surajit; Poddar, Raj. K.; Poulsen, Rasmus D.; Thompson, Amber L.; Howard, Judith A. K.","The copper(II) complexes di-μ-bromo-bis{[2,6-bis(pyrazol-1-yl)pyridine]perchloratocopper(II)} and [2,6-bis(pyrazol-1-yl)pyridine]dibromocopper(II)","Acta Crystallographica Section C","2004","60","12","m628","m630","10.1107/S0108270104026459","","","0.71073","MoKα","","0.1135","0.0503","","","0.1035","0.1284","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014468","11.0056","0.0002","7.894","0.0001","15.237","0.0002","90","","93.856","0.001","90","","1320.77","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibromo[2,6-bis(pyrazol-1-yl)pyridine]copper(II)","","- C11 H9 Br2 Cu N5 -","- C11 H9 Br2 Cu N5 -","- C44 H36 Br8 Cu4 N20 -","4","1","FG1771","Chakrabarty, Surajit; Poddar, Raj. K.; Poulsen, Rasmus D.; Thompson, Amber L.; Howard, Judith A. K.","The copper(II) complexes di-μ-bromo-bis{[2,6-bis(pyrazol-1-yl)pyridine]perchloratocopper(II)} and [2,6-bis(pyrazol-1-yl)pyridine]dibromocopper(II)","Acta Crystallographica Section C","2004","60","12","m628","m630","10.1107/S0108270104026459","","","0.71073","MoKα","","0.0321","0.0225","","","0.0514","0.0549","","","","","","1.025","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014469","11.0642","0.0012","11.0554","0.0012","14.3447","0.0015","90","","98.754","0.002","90","","1734.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-Bis(N,N-diethylamino)-2,2'-bipyridine","","- C18 H26 N4 -","- C18 H26 N4 -","- C72 H104 N16 -","4","1","FG1772","Pablo Alborés; Luis M. Baraldo; Ibañez, Andrés; Ricardo Baggio","4,4'-Bis(<i>N</i>,<i>N</i>-diethylamino)-2,2'-bipyridine","Acta Crystallographica Section C","2004","60","12","o850","o852","10.1107/S0108270104025077","","","0.71073","MoKα","","0.1358","0.0675","","","0.1375","0.1726","","","","","","0.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014470","7.9623","0.0001","8.9487","0.0001","21.887","0.001","90","","96","0.001","90","","1550.95","0.08","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(di-2-pyridylamine-κ^2^N,N')silver(I)]-μ-nicotinato- κ^2^N:O]","","- C16 H13 Ag N4 O2 -","- C16 H13 Ag N4 O2 -","- C64 H52 Ag4 N16 O8 -","4","1","FG1780","Wang, Yue; Okabe, Nobuo","<i>catena</i>-Poly[[(di-2-pyridylamine)silver(I)]-μ-nicotinato] and <i>catena</i>-poly[[(di-2-pyridylamine)silver(I)]-μ-2,6-dihydroxybenzoato]","Acta Crystallographica Section C","2004","60","12","m605","m608","10.1107/S0108270104026502","","","0.71073","MoKα","","0.03","0.0239","","","0.0539","0.0547","","","","","","0.904","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014471","7.56","0.01","9.23","0.01","12.01","0.02","71.29","0.05","82.87","0.05","87.44","0.05","787.6","1.9","296","","296","","","","","","","","","5","P -1","-P 1","2","","catena-poly[[(di-2-pyridylamine-κ^2^N,N')silver(I)]-μ-2,6-dihydroxybenzoato- κ^2^O^1^:O^2^]","","- C17 H14 Ag N3 O4 -","- C17 H14 Ag N3 O4 -","- C34 H28 Ag2 N6 O8 -","2","1","FG1780","Wang, Yue; Okabe, Nobuo","<i>catena</i>-Poly[[(di-2-pyridylamine)silver(I)]-μ-nicotinato] and <i>catena</i>-poly[[(di-2-pyridylamine)silver(I)]-μ-2,6-dihydroxybenzoato]","Acta Crystallographica Section C","2004","60","12","m605","m608","10.1107/S0108270104026502","","","0.71073","MoKα","","0.0665","0.0504","","","0.145","0.1533","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014472","6.694","0.0003","13.8197","0.0007","9.1759","0.0005","90","","97.609","0.001","90","","841.38","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[[μ-cyano-1:2κ^2^C:N-dicyano-1κ^2^C-bis(N,N- dimethylethylenediamine-2κ^2^N,N')palladium(II)copper(II)]-μ-cyano- 1:2'κ^2^C:N]","","- C12 H24 Cu N8 Pd -","- C12 H24 Cu N8 Pd -","- C24 H48 Cu2 N16 Pd2 -","2","0.5","FR1492","Juraj Kuchár; Juraj Černák; Abboud, Khalil A.","The one-dimensional structure of Cu(dmen)~2~Pd(CN)~4~ (dmen is <i>N</i>,<i>N</i>-dimethylethylenediamine)","Acta Crystallographica Section C","2004","60","10","m492","m494","10.1107/S0108270104019146","","","0.71073","MoKα","","0.0203","0.0159","","","0.0393","0.0412","","","","","","1.097","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014477","7.642","0.004","16.635","0.003","17.354","0.003","90","","101.2","0.02","90","","2164.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridyl-κ^2^N,N')bis(salicylato-κ^2^O,O')zinc(II)","","- C24 H18 N2 O6 Zn -","- C24 H18 N2 O6 Zn -","- C96 H72 N8 O24 Zn4 -","4","1","GA1065","Lemoine, Pascale; Bendada, Karima; Viossat, Bernard","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(salicylato-κ^2^<i>O</i>,<i>O</i>')zinc(II)","Acta Crystallographica Section C","2004","60","10","m489","m491","10.1107/S0108270104016956","","","0.71073","MoKα","","0.0925","0.0375","","","0.091","0.1063","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014478","21.395","0.008","9.463","0.005","15.571","0.007","90","","113.99","0.03","90","","2880","2","298","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,5-dichloro-2-{[(1-phenylethyl)imino]methyl}phenol","","- C15 H13 Cl2 N O -","- C15 H13 Cl2 N O -","- C120 H104 Cl16 N8 O8 -","8","1","GA1070","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Racemic 3,5-dichloro-2-{[(1-phenylethyl)imino]methyl}phenol","Acta Crystallographica Section C","2004","60","11","o801","o802","10.1107/S0108270104017354","","","0.7107","MoKα","","","0.0505","","","","0.1804","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014479","6.1333","0.0002","11.478","0.0005","35.447","0.002","90","","90","","90","","2495.4","0.2","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Benzyloxy-16-[(N-methyl-N-phenylamino)methylidene]oestra-1,3,5(10)-trien- 17-one","","- C33 H35 N O2 -","- C33 H35 N O2 -","- C132 H140 N4 O8 -","4","1","GA1072","Matsumoto, Taisuke; Watanabe, Masataka; Matsumoto, Tomohiro; Mataka, Shuntaro; Thiemann, Thies","3-Benzyloxy-16-[(<i>N</i>-methyl-<i>N</i>-phenylamino)methylidene]estra-1,3,5(10)-trien-17-one","Acta Crystallographica Section C","2004","60","11","o813","o814","10.1107/S0108270104022711","","","0.7107","MoKα","","","0.034","","","","0.062","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014480","5.5805","0.0005","8.9808","0.0009","21.955","0.002","90","","94.976","0.003","90","","1096.18","0.18","193","2","193","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","[4-[(4-aminophenyl)methyl]benzenamine]-bis(2,4-pentanedionato)Cobalt(II)","catena-Poly[(μ-4,4'-diaminodiphenylmethane-κ^2^N:N')bis(2,4-pentanedionato- κ^2^O,O')cobalt(II)]","","- C23 H28 Co N2 O4 -","- C23 H28 Co N2 O4 -","- C46 H56 Co2 N4 O8 -","2","0.5","GA1073","Zhi, Xin-Lei; Zhang, Wen-Hua; Zhang, Yong; Lang, Jian-Ping","<i>catena</i>-Poly[[bis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)]-μ-4,4'-methylenedianiline-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","11","m554","m556","10.1107/S0108270104022073","","","0.7107","MoKα","","0.0334","0.0306","","","0.0721","0.0739","","","","","","1.107","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014481","8.2682","0.0017","20.593","0.004","8.3738","0.0017","90","","103.273","0.004","90","","1387.7","0.5","193.15","","193.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly[[diazidocobalt(II)]-di-μ-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene- κ^2^N^4^:N^4'^]","","- C24 H24 Co N18 -","- C24 H24 Co N18 -","- C48 H48 Co2 N36 -","2","0.5","GA1074","Li, Bao-Zong; Peng, Yan-Fen; Zhang, Yu-Ping; Li, Bao-Long; Zhang, Yong","A novel two-dimensional cobalt(II) coordination polymer with 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene","Acta Crystallographica Section C","2004","60","11","m560","m562","10.1107/S0108270104022863","","","0.71073","MoKα","","0.053","0.0439","","","0.1015","0.1063","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014482","6.486","0.0013","9.253","0.0019","10.621","0.002","76.58","0.03","83.52","0.03","83.5","0.03","613.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","poly[[(1,10-phenanthroline-κ^2^N,N')cadmium(II)]-μ-thiosulfato]","","- C12 H8 Cd N2 O3 S2 -","- C12 H8 Cd N2 O3 S2 -","- C24 H16 Cd2 N4 O6 S4 -","2","1","GA1075","M. Enriqueta Díaz de Vivar; Sergio Baggio; Ricardo Baggio","A new binding mode for thiosulfate in six-coordinate poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-thiosulfato]","Acta Crystallographica Section C","2004","60","10","m495","m497","10.1107/S0108270104019638","","","0.71073","MoKα","","0.1052","0.0365","","","0.0833","0.0971","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014483","11.315","0.002","7.891","0.0016","20.356","0.004","90","","92.87","0.03","90","","1815.2","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-bis(4-methoxybenzylidene)-1-methyl-4-piperidone","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","GA1078","Vladimir N. Nesterov","3,5-Bis(4-methoxybenzylidene)-1-methyl-4-piperidone and 3,5-bis(4-methoxybenzylidene)-1-methyl-4-oxopiperidinium chloride: potential biophotonic materials","Acta Crystallographica Section C","2004","60","11","o806","o809","10.1107/S0108270104022723","","","0.71073","MoKα","","0.1864","0.0476","","","0.0974","0.1276","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014484","15.03","0.003","8.002","0.0016","16.585","0.003","90","","100.81","0.03","90","","1959.3","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-bis(4-methoxybenzylidene)-1-methyl-4-oxopiperidinium chloride","","- C22 H24 Cl N O3 -","- C22 H24 Cl N O3 -","- C88 H96 Cl4 N4 O12 -","4","1","GA1078","Vladimir N. Nesterov","3,5-Bis(4-methoxybenzylidene)-1-methyl-4-piperidone and 3,5-bis(4-methoxybenzylidene)-1-methyl-4-oxopiperidinium chloride: potential biophotonic materials","Acta Crystallographica Section C","2004","60","11","o806","o809","10.1107/S0108270104022723","","","0.71073","MoKα","","0.1326","0.0485","","","0.1106","0.1363","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014485","9.3059","0.001","9.4966","0.001","10.5689","0.001","92.544","0.001","99.256","0.001","104.917","0.001","887.18","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Di-2-pyridyl ketone 4-methyl-4-phenylthiosemicarbazone","","- C19 H17 N5 S -","- C19 H17 N5 S -","- C38 H34 N10 S2 -","2","1","GA1079","Varughese Philip; V. Suni; M. R. Prathapachandra Kurup","Di-2-pyridyl ketone 4-methyl-4-phenylthiosemicarbazone","Acta Crystallographica Section C","2004","60","12","o856","o858","10.1107/S0108270104025235","","","0.71073","MoKα","","0.0708","0.0368","","","0.0919","0.1035","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014486","5.5634","0.0003","17.0558","0.0009","16.6859","0.0009","90","","96.744","0.001","90","","1572.34","0.15","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Phenyl-L-isoleucine","","- C15 H23.76 N2 O3.88 -","- C15 H23.763 N2 O3.8815 -","- C60 H95.052 N8 O15.526 -","4","2","GA1081","Görbitz, Carl Henrik","<small>L</small>-Phenylalanyl-<small>L</small>-isoleucine 0.88-hydrate","Acta Crystallographica Section C","2004","60","11","o810","o812","10.1107/S0108270104022851","","","0.71073","MoKα","","0.0323","0.0294","","","0.0745","0.0765","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014488","14.18","0.002","16.076","0.002","18.413","0.002","90","","90","","90","","4197.4","0.9","298","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Bromo-1,9-diphenyl-4-p-tolyl-7-oxa-1,2,8-triazaspiro[4.4]nona-2,8-dien-6-one","","- C24 H18 Br N3 O2 -","- C24 H18 Br N3 O2 -","- C192 H144 Br8 N24 O16 -","8","1","GD1337","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni","Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives","Acta Crystallographica Section C","2004","60","12","o879","o883","10.1107/S0108270104022231","","","0.71073","MoKα","","","0.0531","","","","0.1051","","","","","","1.004","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014489","35.375","0.003","9.2","0.001","12.807","0.002","90","","94.81","0.01","90","","4153.4","0.9","298","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Bromo-1,9-diphenyl-4-(4-methoxy-phenyl)-7-oxa-1,2,8-triazaspiro[4.4]nona- 2,8-dien-6-one","","- C24 H18 Br N3 O3 -","- C24 H18 Br N3 O3 -","- C192 H144 Br8 N24 O24 -","8","1","GD1337","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni","Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives","Acta Crystallographica Section C","2004","60","12","o879","o883","10.1107/S0108270104022231","","","0.71073","MoKα","","","0.0673","","","","0.2001","","","","","","1.077","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014490","16.735","0.001","21.454","0.002","14.254","0.001","90","","100.498","0.006","90","","5032","0.7","298","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-bromo-4-(4-chlorophenyl)-1,7,9-triphenyl-1,2,7,8-tetraazaspiro[4.4]nona- 2,8-dien-6-one","","- C29 H20 Br Cl N4 O -","- C29 H20 Br Cl N4 O -","- C232 H160 Br8 Cl8 N32 O8 -","8","1","GD1337","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni","Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives","Acta Crystallographica Section C","2004","60","12","o879","o883","10.1107/S0108270104022231","","","0.71073","MoKα","","0.1135","0.0491","","","0.0803","0.1039","","","","","","1.026","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014491","10.107","0.001","13.578","0.003","19.146","0.003","90","","98.5","0.01","90","","2598.6","0.8","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-1,7,9-triphenyl-4-p-tolyl-1,2,7,8-tetraazaspiro[4.4]nona-2,8-dien-6-one","","- C30 H22.89 Br1.11 N4 O -","- C30 H22.89 Br1.11 N4 O -","- C120 H91.56 Br4.44 N16 O4 -","4","1","GD1337","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni","Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives","Acta Crystallographica Section C","2004","60","12","o879","o883","10.1107/S0108270104022231","","","0.71073","MoKα","","","0.057","","","","0.1487","","","","","","1.017","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014492","13.0883","0.0006","9.7883","0.0005","17.997","0.0009","90","","102.5","0.002","90","","2250.98","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(benzoylmethylene)triphenylphosphorane‒fumaric acid (2/1)","","- C28 H23 O3 P -","- C28 H23 O3 P -","- C112 H92 O12 P4 -","4","1","GD1343","Elinor C. Spencer; M. Baby Mariyatra; Judith A. K. Howard; K. Panchanatheswaran","The 2:1 adducts of (benzoylmethylene)triphenylphosphorane with fumaric and terephthalic acids","Acta Crystallographica Section C","2004","60","11","o839","o842","10.1107/S0108270104023674","","","0.71073","MoKα","","0.0482","0.038","","","0.0968","0.1042","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014493","10.09","0.0006","17.9737","0.0009","13.1613","0.0007","90","","92.048","0.002","90","","2385.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(benzoylmethylene)triphenylphosphorane‒terephthalic acid (2/1)","","- C30 H24 O3 P -","- C30 H24 O3 P -","- C120 H96 O12 P4 -","4","1","GD1343","Elinor C. Spencer; M. Baby Mariyatra; Judith A. K. Howard; K. Panchanatheswaran","The 2:1 adducts of (benzoylmethylene)triphenylphosphorane with fumaric and terephthalic acids","Acta Crystallographica Section C","2004","60","11","o839","o842","10.1107/S0108270104023674","","","0.71073","MoKα","","0.0578","0.0414","","","0.1007","0.1107","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014494","5.644","0.001","9.682","0.002","15.662","0.003","90","","95.23","0.02","90","","852.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-nitroanilinium nitrate","p-nitroanilinium nitrate","","- C6 H7 N3 O5 -","- C6 H7 N3 O5 -","- C24 H28 N12 O20 -","4","1","GD1344","Genivaldo Julio Perpétuo; Jan Janczak","4-Nitroanilinium nitrate","Acta Crystallographica Section C","2004","60","10","o768","o770","10.1107/S0108270104021122","","","0.71073","MoKα","","0.0583","0.0407","","","0.1017","0.1132","","","","","","1.001","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014495","10.903","0.002","13.068","0.002","24.4","0.004","90","","90","","90","","3476.5","1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","kd-e-3-19 dmso","9,9'-(1,4-dioxane-2,5-diyldimethylenedioxy)di(7H-furo[3,2-g]chromen-7-one) dimethyl sulfoxide disolvate","","- C36 H40 O12 S2 -","- C36 H40 O12 S2 -","- C144 H160 O48 S8 -","4","1","GD1348","Mitsunobu Doi; Terue Nakamori; Makio Shibano; Masahiko Taniguchi; Nian-He Wang; Kimiye Baba","Candibirin A, a furanocoumarin dimer isolated from <i>Heracleum candicans</i> W<small>ALL</small>.","Acta Crystallographica Section C","2004","60","11","o833","o835","10.1107/S0108270104024291","","","0.71073","MoKα","","0.0411","0.037","","","0.0951","0.0986","","","","","","0.898","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014496","8.2","0.0007","16.2132","0.0014","11.6706","0.001","90","","97.244","0.001","90","","1539.2","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","kd-e-3-19 dmf","9,9'-(1,4-dioxane-2,5-diyldimethylenedioxy)di(7H-furo[3,2-g]chromen-7-one) dimethylformamide solvate","","- C35 H35 N O11 -","- C35 H35 N O11 -","- C70 H70 N2 O22 -","2","1","GD1348","Mitsunobu Doi; Terue Nakamori; Makio Shibano; Masahiko Taniguchi; Nian-He Wang; Kimiye Baba","Candibirin A, a furanocoumarin dimer isolated from <i>Heracleum candicans</i> W<small>ALL</small>.","Acta Crystallographica Section C","2004","60","11","o833","o835","10.1107/S0108270104024291","","","0.71073","MoKα","","0.0432","0.0419","","","0.1144","0.1158","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014497","9.924","0.002","13.345","0.003","14.467","0.003","90","","90","","90","","1915.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 P Re -","- C20 H20 O4 P Re -","- C80 H80 O16 P4 Re4 -","4","1","GD1349","Hołyńska, Małgorzata; Lis, Tadeusz","Ethyltriphenylphosphonium perrhenate and (iodomethyl)triphenylphosphonium perrhenate","Acta Crystallographica Section C","2004","60","12","m648","m650","10.1107/S0108270104027192","","","0.71073","MoKα","","0.0259","0.0224","","","0.0394","0.0402","","","","","","1.016","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014498","10.116","0.003","15.478","0.003","12.748","0.003","90","","96.62","0.03","90","","1982.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 I O4 P Re -","- C19 H17 I O4 P Re -","- C76 H68 I4 O16 P4 Re4 -","4","1","GD1349","Hołyńska, Małgorzata; Lis, Tadeusz","Ethyltriphenylphosphonium perrhenate and (iodomethyl)triphenylphosphonium perrhenate","Acta Crystallographica Section C","2004","60","12","m648","m650","10.1107/S0108270104027192","","","0.71073","MoKα","","0.0295","0.0226","","","0.0543","0.0558","","","","","","1.086","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014499","8.3609","0.0004","7.9369","0.0004","15.8259","0.0007","90","","104.689","0.001","90","","1015.88","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ethylenediamine zinc hydrogen phosphite","poly[dizinc(II)-μ-ethylenediamine-di-μ-(hydrogen phosphito)]","","- C2 H10 N2 O6 P2 Zn2 -","- C2 H10 N2 O6 P2 Zn2 -","- C8 H40 N8 O24 P8 Zn8 -","4","1","GG1223","Gordon, Laura E.; Harrison, William T. A.","β-[H~2~N(CH~2~)~2~NH~2~]~0.5~[ZnHPO~3~], a second modification of ethylenediamine zinc hydrogen phosphite","Acta Crystallographica Section C","2004","60","12","m637","m639","10.1107/S0108270104027039","","","0.71073","MoKα","","0.0682","0.0641","","","0.1697","0.1709","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014500","12.2569","0.0006","12.5985","0.0006","16.8506","0.0009","90","","90","","90","","2602","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-methyl-1,3-benzenediol (orcin) 1,4-diazabicyclo[2.2.2]octane (1/1)","","- C13 H20 N2 O2 -","- C13 H20 N2 O2 -","- C104 H160 N16 O16 -","8","2","HJ1016","Jin, Zhi-Min; Lin, Chen-Shui; Wang, Hai-Bin; Hu, Mao-Lin; Shen, Liang","The 1:1 adduct of 5-methylbenzene-1,3-diol (orcin) and 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2004","60","10","o765","o767","10.1107/S0108270104021936","","","0.71073","MoKα","","0.0641","0.0536","","","0.145","0.1569","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014501","6.0553","0.0002","8.2433","0.0003","9.9694","0.0001","111.733","0.002","94.984","0.002","93.813","0.002","457.88","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[aquaneodymium(III)-μ~5~-2-hydroxy-5-sulfonatobenzoato]","","- C7 H5 Nd O7 S -","- C7 H5 Nd O7 S -","- C14 H10 Nd2 O14 S2 -","2","1","HJ1019","Wang, Xiao-Qin; Zhang, Jian; Li, Zhao-Ji; Wen, Yi-Hang; Cheng, Jian-Kai; Yao, Yuan-Gen","Poly[aquaneodymium(III)-μ~5~-2-oxido-5-sulfonatobenzoato]","Acta Crystallographica Section C","2004","60","12","m657","m658","10.1107/S0108270104022280","","","0.71073","MoKα","","","0.0293","","","0.0775","0.0794","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014502","13.2692","0.0011","9.1898","0.0008","13.5155","0.0011","90","","107.542","0.002","90","","1571.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[copper(II)-di-μ-5-aminoisophthalato(1-)-κ^4^N:O] monohydrate]","","- C16 H14 Cu N2 O9 -","- C16 H14 Cu N2 O9 -","- C64 H56 Cu4 N8 O36 -","4","0.5","HJ1020","Liao, Qiu-Xia; Li, Zhao-Ji; Zhang, Jian; Kang, Yao; Dai, Yu-Mei; Yao, Yuan-Gen","Poly[[copper(II)-di-μ-5-aminoisophthalato(1‒)-κ^4^<i>N</i>:<i>O</i>] monohydrate]","Acta Crystallographica Section C","2004","60","10","m509","m511","10.1107/S0108270104020426","","","0.71073","MoKα","","","0.053","","","0.1222","0.1359","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014503","7.228","0.005","10.834","0.007","12.831","0.008","100.09","0.01","99.83","0.01","95.63","0.01","966.2","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","{4-Bromo-2-[2-(5-bromo-2- oxidobenzylideneaminomethyl)phenyliminomethyl]phenolato- κ^4^O,N,N',O'}nickel(II)","","- C21 H14 Br2 N2 Ni O2 -","- C21 H14 Br2 N2 Ni O2 -","- C42 H28 Br4 N4 Ni2 O4 -","2","1","HJ1022","Santu Chakraborty; B. Samanta; C. R. Chowdhury; S. Mitra; Alok K. Mukherjee","{4-Bromo-2-[2-(5-bromo-2-oxidobenzylideneaminomethyl)phenyliminomethyl]phenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)","Acta Crystallographica Section C","2004","60","11","m578","m580","10.1107/S0108270104022899","","","0.71073","MoKα","","0.0476","0.0331","","","0.0759","0.0816","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014504","13.2233","0.0008","14.6535","0.0011","16.7275","0.0012","97.085","0.002","104.69","0.002","101.691","0.003","3017.6","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","catena-poly[[[acetonitrilesilver(I)]-di-μ-4-[N- (diphenylphosphino)aminomethyl]pyridine-κ^2^N^1^:P;κ^2^P:N^1^- [acetonitrilesilver(I)]-μ~3~- 4-[N,N-bis(diphenylphosphino)aminomethyl]pyridine-κ^3^N^1^:P:P'- bis[acetonitrilesilver(I)(Ag—Ag)]-μ~3~-4-[N,N- bis(diphenylphosphino)aminomethyl]pyridine-κ^3^P:P':N^1^] tetrakis(tetrafluoroborate) acetonitrile trisolvate]","","- C116 H116 Ag4 B4 F16 N16 P6 -","- C116 H116 Ag4 B4 F16 N18 P6 -","- C116 H116 Ag4 B4 F16 N18 P6 -","1","0.5","HJ1026","Feazell, Rodney P.; Carson, Cody E.; Klausmeyer, Kevin K.","Self-assembly of a mixed-ligand silver-based coordination polymer","Acta Crystallographica Section C","2004","60","11","m598","m600","10.1107/S0108270104025004","","","0.71073","MoKα","","0.0647","0.0377","","","0.0735","0.081","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014505","26.055","0.002","6.6734","0.0012","14.523","0.002","90","","94.788","0.008","90","","2516.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","8,19-Dimethyl-8,19-dihydro-8,19-ethanoanthra[2',3':2,3;6',7':2,3]di-1,4- dioxino[5,6-b;5,6-b]diquinoxaline","","- C34 H22 N4 O4 -","- C34 H22 N4 O4 -","- C136 H88 N16 O16 -","4","0.5","HJ1027","Masci, Bernardo; Thuéry, Pierre","8,19-Dimethyl-8,19-dihydro-8,19-ethanoanthra[2'',3'':2,3;6'',7'':2',3']di-1,4-dioxino[5,6-<i>b</i>;5',6'-<i>b</i>']diquinoxaline","Acta Crystallographica Section C","2004","60","11","o836","o838","10.1107/S010827010402462X","","","0.71073","MoKα","","0.1473","0.0641","","","0.1291","0.1674","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014506","13.648","0.003","13.254","0.003","15.358","0.006","90","","90","","90","","2778.1","1.4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Chlorobis[N-(ethoxycarbonyl)-N'-(p-methoxyphenyl)thiourea-κS]copper(I)","","- C22 H28 Cl Cu N4 O6 S2 -","- C22 H28 Cl Cu N4 O6 S2 -","- C88 H112 Cl4 Cu4 N16 O24 S8 -","4","1","HJ1031","Su, Bi-Quan; Xian, Liang; Song, Hai-Bin; Sheng, Li","Chlorobis[<i>N</i>-ethoxycarbonyl-<i>N</i>'-(<i>p</i>-methoxyphenyl)thiourea-κ<i>S</i>]copper(I)","Acta Crystallographica Section C","2004","60","12","m661","m662","10.1107/S0108270104028215","","","0.71073","MoKα","","0.0904","0.039","","","0.0775","0.0948","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014507","23.0272","0.0005","7.5684","0.0002","7.8595","0.0002","90","","99.266","0.002","90","","1351.87","0.06","293","2","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","calcium disilver tetrathiocyanate dihydrate","calcium tetrathiocyanato diargentate dihydrate","","- C4 H4 Ag2 Ca N4 O2 S4 -","- C4 H4 Ag2 Ca N4 O2 S4 -","- C16 H16 Ag8 Ca4 N16 O8 S16 -","4","0.5","IZ1044","Güneş, Minna; Valkonen, Jussi","Ca[Ag~2~(SCN)~4~]·2H~2~O","Acta Crystallographica Section C","2004","60","11","i101","i103","10.1107/S0108270104019316","","","0.71073","MoKα","","","0.035","","","","0.1123","","","","","","1.166","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014508","7.818","0.001","5.931","0.001","10.634","0.002","90","","90","","90","","493.08","0.14","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","dithallium sulfate","","- O4 S Tl2 -","- O4 S Tl2 -","- O16 S4 Tl8 -","4","0.5","IZ1045","Wallez, Gilles; Jaulmes, Sylvie; Elfakir, Ammy; Souron, Jean-Paul; Quarton, Michel","β-Tl~2~SO~4~","Acta Crystallographica Section C","2004","60","11","i107","i109","10.1107/S0108270104022346","","","0.71069","MoKα","","0.0261","0.0251","","0.0653","","0.0644","","","1.039","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014509","8.4836","0.0004","18.9094","0.0009","12.8907","0.0006","90","","97.457","0.001","90","","2050.43","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibromotetra-μ~2~-methoxo-di-μ~3~-methoxo-hexakis(tetrahydrofuran-d~8~- κO)tetramagnesium","","- C30 H18 Br2 D48 Mg4 O12 -","- C30 H66 Br2 Mg4 O12 -","- C60 H132 Br4 Mg8 O24 -","2","0.5","JZ1633","Walfort, Bernhard; Yousef, Rushdi I.; Rüffer, Tobias; Steinborn, Dirk","Dibromotetra-μ~3~-methoxo-di-μ~2~-methoxo-hexakis(tetrahydrofuran-<i>d</i>~8~)tetramagnesium","Acta Crystallographica Section C","2004","60","10","m482","m483","10.1107/S010827010401933X","","","0.71073","MoKα","","0.0513","0.0368","","","0.0914","0.099","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014510","12.341","0.001","10.3381","0.0009","21.024","0.002","90","","99.371","0.002","90","","2646.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis[1,3-bis(trimethylsilyl)allyl]cobalt(II)","bis[(1,2,3-η)-(2E)-1,3-bis(trimethylsilyl)prop-2-enyl]cobalt(II)","","- C18 H42 Co Si4 -","- C18 H42 Co Si4 -","- C72 H168 Co4 Si16 -","4","1","JZ1658","Smith, J. Dominic; Quisenberry, Keith T.; Hanusa, Timothy P.; Brennessel, William W.","Bis[1,3-bis(trimethylsilyl)allyl]cobalt(II), a stable electron-deficient allyl complex","Acta Crystallographica Section C","2004","60","10","m507","m508","10.1107/S0108270104020293","","","0.71073","MoKα","","0.0485","0.0405","","","0.1067","0.1111","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014511","5.783","0.002","8.229","0.002","10.827","0.003","105.65","0.03","97.48","0.03","97.689","0.009","484.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","poly[[diaquamanganese(II)]-μ-4,4-bipyridine-κ^2^N:N'-μ- (p-phenylenedioxydiacetato)-κ^2^O:O']","","- C20 H20 Mn N2 O8 -","- C20 H20 Mn N2 O8 -","- C20 H20 Mn N2 O8 -","1","0.5","JZ1660","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui","A two-dimensional manganese(II) coordination polymer: poly[[diaquamanganese(II)]-μ-4,4-bipyridine-κ^2^<i>N</i>:<i>N</i>'-μ-(<i>p</i>-phenylenedioxydiacetato)-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2004","60","10","m537","m539","10.1107/S0108270104021481","","","0.71074","MoKα","","0.096","0.058","","","0.097","0.107","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014512","9.1673","0.0018","10.401","0.002","11.026","0.002","90","","111.81","0.03","90","","976.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[(pyridin-4-ol-κN)silver(I)]-μ-pyridin-4-olato-κ^2^N:O]","","- C10 H9 Ag N2 O2 -","- C10 H9 Ag N2 O2 -","- C40 H36 Ag4 N8 O8 -","4","1","JZ1667","Gao, Shan; Lu, Zhen-Zhong; Huo, Li-Hua; Zhao, Hui","<i>catena</i>-Poly[[(pyridin-4-ol-κ<i>N</i>)silver(I)]-μ-pyridin-4-olato-κ^2^<i>N</i>:<i>O</i>]","Acta Crystallographica Section C","2004","60","12","m651","m653","10.1107/S0108270104026757","","","0.71073","MoKα","","0.0332","0.0251","","","0.0541","0.0562","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014513","9.0727","0.0004","12.9327","0.0005","19.0201","0.0008","90","","90","","90","","2231.71","0.16","298","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diazabicyclo[2.2.2]octane-1,4-diium dichromate","","- C6 H14 Cr2 N2 O7 -","- C6 H14 Cr2 N2 O7 -","- C48 H112 Cr16 N16 O56 -","8","1","NA1676","Jin, Zhi-Min; Li, Li; Wang, Hai-Bin; Hu, Mao-Lin; Shen, Liang","Diazabicyclo[2.2.2]octane-1,4-diium dichromate","Acta Crystallographica Section C","2004","60","11","m572","m574","10.1107/S010827010402342X","","","0.71073","MoKα","","0.0306","0.0288","","","0.08","0.0814","","","","","","1.085","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014514","10.201","0.0012","5.0606","0.0004","36.29","0.005","90","","99.692","0.01","90","","1846.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[6-(3-Chlorophenyl)-2,4-dioxoperhydropyrimidin-3-yl]ethyl morpholine-4-carbodithioate","","- C17 H20 Cl N3 O3 S2 -","- C17 H20 Cl N3 O3 S2 -","- C68 H80 Cl4 N12 O12 S8 -","4","1","OB1189","Köysal, Yavuz; Işık, Şamil; Septiog̃lu, Ebubekir; Ünsal Çalış","2-[6-(3-Chlorophenyl)-2,4-dioxoperhydropyrimidin-3-yl]ethyl morpholine-4-carbodithioate","Acta Crystallographica Section C","2004","60","10","o757","o758","10.1107/S0108270104018852","","","0.71073","MoKα","","0.0334","0.0318","","","0.1146","0.1206","","","","","","1.021","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2014515","12.633","0.013","12.735","0.014","13.29","0.03","61.6","0.03","66.23","0.04","63.22","0.03","1630","4","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H68 N8 O22 Zn4 -","- C68 H68 N8 O22 Zn4 -","- C68 H68 N8 O22 Zn4 -","1","0.5","OB1191","Wang, Yue; Odoko, Mamiko; Okabe, Nobuo","Tetrakis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(μ-salicylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')-<i>quadro</i>-tetrazinc(II) decahydrate","Acta Crystallographica Section C","2004","60","10","m479","m481","10.1107/S010827010401950X","","","0.7107","MoKα","","","0.024","","","","0.066","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014516","38.293","0.006","13.246","0.002","12.888","0.002","90","","90","","90","","6537.2","1.7","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","1,4-Dimethylpyridinium hexakis(dimethylformamide-κO)calcium(II) tetracontaoxophosphidododecamolybdate","","- C25 H52 Ca Mo12 N7 O46 P -","- C25 H52 Ca Mo12 N7 O46 P -","- C100 H208 Ca4 Mo48 N28 O184 P4 -","4","1","OB1193","Xue-Jie Tan; Si-Xiu Sun; Jian-Ping Ma; Lian-Dong Liu; Yu-Bin Dong; Wen-Tao Yu; Dian-Xiang Xing","1,4-Dimethylpyridinium hexakis(dimethylformamide-κ<i>O</i>)calcium(II) dodecamolybdophosphate","Acta Crystallographica Section C","2004","60","10","m476","m478","10.1107/S0108270104019705","","","0.71073","MoKα","","0.0714","0.06","","","0.1209","0.1267","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014517","10.67","0.005","15.72","0.007","11.462","0.005","90","","90.627","0.007","90","","1922.4","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[(nitrato-κ^2^O,O')silver(I)]-μ-2,2'-[1,4- phenylenebis(methylenethio)]bis(5-methyl-1,3,4-thiadiazole)-κ^2^N^3^,N^3'^]","","- C14 H14 Ag N5 O3 S4 -","- C14 H14 Ag N5 O3 S4 -","- C56 H56 Ag4 N20 O12 S16 -","4","0.5","OB1194","Zheng, Yan","<i>catena</i>-Poly[[(nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)]-μ-2,2'-[1,4-phenylenebis(methylenethio)]bis(5-methyl-1,3,4-thiadiazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","Acta Crystallographica Section C","2004","60","10","m471","m472","10.1107/S0108270104019183","","","0.71073","MoKα","","0.0371","0.0251","","","","0.0541","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014518","7.712","0.0015","11.771","0.002","12.523","0.003","85.27","0.03","75.38","0.03","75.82","0.03","1066.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaqua(sulfato-κO)[2,4,6-tris(2-pyridyl)-1,3,5-triazine- κ^3^N^1^,N^2^,N^6^]zinc(II) dihydrate","","- C18 H20 N6 O8 S Zn -","- C18 H20 N6 O8 S Zn -","- C36 H40 N12 O16 S2 Zn2 -","2","1","OB1195","Harvey, Miguel Angel; Baggio, Sergio; Baggio, Ricardo","Diaqua(sulfato-κ<i>O</i>)[2,4,6-tris(2-pyridyl)-1,3,5-triazine-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]zinc(II) dihydrate","Acta Crystallographica Section C","2004","60","10","m498","m500","10.1107/S0108270104019821","","","0.71073","MoKα","","0.183","0.0577","","","0.1045","0.1395","","","","","","0.916","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014519","19.871","0.004","6.1614","0.0011","13.475","0.002","90","","104.452","0.003","90","","1597.6","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis-4-aminocyclohexane carboxylic acid hemihydrate","cis-4-ammoniocyclohexanecarboxylate hemihydrate","","- C7 H14 N O2.5 -","- C7 H14 N O2.5 -","- C56 H112 N8 O20 -","8","1","OB1197","Edward E. Ávila; Asiloé J. Mora; Gerzon E. Delgado; Belkis M. Ramírez; Alí Bahsas; Sonia Koteich","Hydrogen-bonding patterns in <i>cis</i>-4-ammoniocyclohexanecarboxylate hemihydrate","Acta Crystallographica Section C","2004","60","10","o759","o761","10.1107/S0108270104020943","","","0.71073","MoKα","","0.1028","0.0473","","","0.0928","0.1024","","","","","","0.974","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014520","9.418","0.001","22.4088","0.001","23.7508","0.0013","90","","92.098","0.003","90","","5009.2","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","catena-poly[[heptakis(dimethylformamide-κO)di-μ~4~-oxo-tetra-μ~3~-oxo- hexadeca-μ~2~-oxo-tetraoxolanthanum(III)octamolybdenum(IV)]-μ-sodium(I)]","","- C21 H49 La Mo8 N7 Na O33 -","- C21 H49 La Mo8 N7 Na O33 -","- C84 H196 La4 Mo32 N28 Na4 O132 -","4","1","OB1198","Shu-Mei Chen; Can-Zhong Lu; Ya-Qin Yu; Quan-Zheng Zhang; Xiang He","<i>catena</i>-Poly[[heptakis(dimethylformamide-κ<i>O</i>)di-μ~4~-oxo-tetra-μ~3~-oxo-hexadeca-μ~2~-oxo-tetraoxolanthanum(III)octamolybdenum(IV)]-μ-sodium(I)]","Acta Crystallographica Section C","2004","60","11","m549","m550","10.1107/S010827010402147X","","","0.71073","MoKα","","","0.0379","","","0.094","0.0968","","","","","","0.991","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014521","15.5951","0.0018","6.6087","0.0007","7.3635","0.0008","90","","96.979","0.002","90","","753.28","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[diaquacobalt(II)]-di-μ-4-cyanobenzoato-κ^4^O:O']","","- C16 H12 Co N2 O6 -","- C16 H12 Co N2 O6 -","- C32 H24 Co2 N4 O12 -","2","0.5","OB1199","He, Hong-Yin; Chen, Jie; Wang, Xiao-Hua; Zhu, Long-Guan","Poly[[diaquacobalt(II)]-di-μ-4-cyanobenzoato-κ^4^<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2004","60","10","m540","m542","10.1107/S0108270104021766","","","0.71073","MoKα","","0.0382","0.0354","","","0.0953","0.0967","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014522","8.711","0.011","10.05","0.013","10.224","0.013","90","","90","","90","","895","2","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","catena-Poly[[silver(I)-μ-ethane-1,2-diamine-κ^2^N:N'] trifluoromethanesulfonate]","","- C3 H8 Ag F3 N2 O3 S -","- C3 H8 Ag F3 N2 O3 S -","- C12 H32 Ag4 F12 N8 O12 S4 -","4","0.5","OB1200","You, Zhong-Lu; Zhu, Hai-Liang","<i>catena</i>-Poly[[silver(I)-μ-ethane-1,2-diamine-κ^2^<i>N</i>:<i>N</i>'] trifluoromethanesulfonate]","Acta Crystallographica Section C","2004","60","10","m515","m516","10.1107/S0108270104020839","","","0.71073","MoKα","","0.036","0.0334","","","0.0749","0.0764","","","","","","1.185","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014523","6.791","0.002","7.731","0.002","8.732","0.002","92.01","0.03","92.17","0.03","91.09","0.03","457.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-2-aminopyridine)bis[(trifluoroacetato)silver(I)]","","- C7 H6 Ag F3 N2 O2 -","- C7 H6 Ag F3 N2 O2 -","- C14 H12 Ag2 F6 N4 O4 -","2","1","OB1201","You, Zhong-Lu; Zhu, Hai-Liang","Bis(μ-2-aminopyridine)bis[(trifluoroacetato)silver(I)]","Acta Crystallographica Section C","2004","60","10","m517","m519","10.1107/S0108270104020785","","","0.71073","MoKα","","0.0324","0.0313","","","0.0825","0.0836","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014524","14.3665","0.001","17.1608","0.0018","19.762","0.003","90","","90","","90","","4872.1","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-[Bis(N-2-oxyphenylsalicylydene)]propane","","- C29 H26 N2 O4 -","- C29 H26 N2 O4 -","- C232 H208 N16 O32 -","8","1","OB1202","Hökelek, Tuncer; Bilge, Selen; Demiriz, Şemsay; Özgüç, Bilgehan; Kılıç, Zeynel","1,3-Bis[2-(2-hydroxybenzylideneamino)phenoxy]propane","Acta Crystallographica Section C","2004","60","11","o803","o805","10.1107/S0108270104022565","","","1.5418","CuKα","","0.0804","0.0445","","","0.1172","0.1356","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014525","13.785","0.011","8.554","0.007","34.74","0.03","90","","90","","90","","4096","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-[(1E)-(4-Chlorophenyl)methyleneamino]-N-(3-methylphenyl)-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C23 H21 Cl N2 O S -","- C23 H21 Cl N2 O S -","- C184 H168 Cl8 N16 O8 S8 -","8","1","OB1203","Vasu; Nirmala, K. A.; Chopra, Deepak; Mohan, S.; Saravanan, J.","2-[(<i>E</i>)-(4-Chlorophenyl)methyleneamino]-<i>N</i>-(<i>X</i>-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3","Acta Crystallographica Section C","2004","60","11","o786","o788","10.1107/S0108270104021092","","","0.71073","MoKα","","0.1156","0.0597","","","0.1155","0.1358","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014526","17.511","0.004","12.519","0.003","9.232","0.002","90","","97.406","0.004","90","","2007","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(1E)-(4-Chlorophenyl)methyleneamino]-N-(2-methylphenyl)-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C23 H21 Cl N2 O S -","- C23 H21 Cl N2 O S -","- C92 H84 Cl4 N8 O4 S4 -","4","1","OB1203","Vasu; Nirmala, K. A.; Chopra, Deepak; Mohan, S.; Saravanan, J.","2-[(<i>E</i>)-(4-Chlorophenyl)methyleneamino]-<i>N</i>-(<i>X</i>-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3","Acta Crystallographica Section C","2004","60","11","o786","o788","10.1107/S0108270104021092","","","0.71073","MoKα","","0.0582","0.0477","","","0.1414","0.1572","","","","","","0.905","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014527","12.5563","0.0009","16.291","0.001","12.6208","0.0009","90","","96.896","0.006","90","","2563","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(1,10-phenanthroline-κ^2^N,N')(squarato-κO)copper(II) trihydrate","","- C28 H22 Cu N4 O7 -","- C28 H22 Cu N4 O7 -","- C112 H88 Cu4 N16 O28 -","4","1","SK1754","Bulut, Ahmet; Uçar, İbrahim; Yeşilel, Okan Zafer; İçbudak, Hasan; Ölmez, Halis; Büyükgüngör, Orhan","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(squarato-κ<i>O</i>)copper(II) trihydrate","Acta Crystallographica Section C","2004","60","10","m526","m528","10.1107/S0108270104020566","","","0.71073","MoKα","","0.0649","0.033","","","0.0628","0.0677","","","","","","0.817","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014528","6.875","0.0006","25.3741","0.0017","8.3964","0.0008","90","","96.303","0.008","90","","1455.9","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-(4-Oxo-4H-chromen-2-yl)(phenyl)methyl acetate","(±)-(4-Oxo-4H-chromen-2-yl)(phenyl)methyl acetate","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","SK1758","Małecka, Magdalena; Massa, Werner; Budzisz, Elżbieta","(±)-(4-Oxo-4<i>H</i>-chromen-2-yl)(phenyl)methyl acetate","Acta Crystallographica Section C","2004","60","10","o762","o764","10.1107/S0108270104020712","","","0.71073","MoKα","","0.056","0.0419","","","0.1107","0.1175","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014530","6.3647","0.0006","7.2807","0.0007","11.2743","0.001","90","","90","","90","","522.45","0.08","153","2","153","2","","","","","","","","4","P b c m","-P 2c 2b","57","dicerium orthosilicate telluride","Dicerium orthosilicate telluride","","- Ce2 O4 Si Te -","- Ce2 O4 Si Te -","- Ce8 O16 Si4 Te4 -","4","0.5","SK1760","Deng, Bin; Yao, Ji-Yong; Ibers, James A.","Dicerium orthosilicate selenide and dicerium orthosilicate telluride, Ce~2~(SiO~4~)<i>Q</i> (<i>Q</i> = Se or Te)","Acta Crystallographica Section C","2004","60","11","i110","i112","10.1107/S0108270104024230","","","0.71073","MoKα","","0.0237","0.0225","","","0.0561","0.0567","","","","","","1.339","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014531","6.225","0.0006","7.2354","0.0007","11.0739","0.001","90","","90","","90","","498.77","0.08","153","2","153","2","","","","","","","","4","P b c m","-P 2c 2b","57","dicerium orthosilicate selenide","Dicerium orthosilicate selenide","","- Ce2 O4 Se Si -","- Ce2 O4 Se Si -","- Ce8 O16 Se4 Si4 -","4","0.5","SK1760","Deng, Bin; Yao, Ji-Yong; Ibers, James A.","Dicerium orthosilicate selenide and dicerium orthosilicate telluride, Ce~2~(SiO~4~)<i>Q</i> (<i>Q</i> = Se or Te)","Acta Crystallographica Section C","2004","60","11","i110","i112","10.1107/S0108270104024230","","","0.71073","MoKα","","0.0221","0.0211","","","0.0583","0.0586","","","","","","1.492","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014532","4.6152","0.0004","20.504","0.002","8.7094","0.0009","90","","91.378","0.007","90","","823.93","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one","","- C7 H5 F3 N4 O -","- C7 H5 F3 N4 O -","- C28 H20 F12 N16 O4 -","4","1","SK1761","Boechat, Nubia; Dutra, Karen D. B.; Valverde, Alessandre; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one and hydrogen-bonded chains of rings in 5-amino-3-trifluoromethyl-1<i>H</i>-1,2,4-triazole‒5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one (1/1), the co-crystal of a reaction product and one of its precursors","Acta Crystallographica Section C","2004","60","10","o733","o736","10.1107/S0108270104020256","","","0.71073","MoKα","","0.0961","0.065","","","0.1517","0.1728","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014533","5.0752","0.0004","22.182","0.002","12.396","0.0011","90","","91.32","0.0005","90","","1395.1","0.2","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-amino-5-trifluoromethyl-1H-1,2,4-triazole‒ 5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one (1/1)","","- C10 H8 F6 N8 O -","- C10 H8 F6 N8 O -","- C40 H32 F24 N32 O4 -","4","1","SK1761","Boechat, Nubia; Dutra, Karen D. B.; Valverde, Alessandre; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in 5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one and hydrogen-bonded chains of rings in 5-amino-3-trifluoromethyl-1<i>H</i>-1,2,4-triazole‒5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one (1/1), the co-crystal of a reaction product and one of its precursors","Acta Crystallographica Section C","2004","60","10","o733","o736","10.1107/S0108270104020256","","","0.71073","MoKα","","0.0756","0.0457","","","0.0985","0.1096","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014534","10.53","0.005","7.362","0.005","17.546","0.005","90","","91.719","0.005","90","","1359.6","1.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)prop-2-en-1-one","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","SK1762","Low, John N.; Cobo, Justo; Nogueras, Manuel; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","Polarized molecular‒electronic structures and supramolecular aggregation in 1-(6-amino-1,3-benzodioxol-5-yl)-3-arylprop-2-en-1-ones","Acta Crystallographica Section C","2004","60","10","o744","o750","10.1107/S0108270104020414","","","0.71073","MoKα","","0.1088","0.061","","","0.1158","0.1347","","","","","","1.107","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014535","17.556","0.0004","5.0914","0.0002","15.4869","0.0004","90","","91.924","0.0016","90","","1383.51","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, monoclinic polymorph","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","SK1762","Low, John N.; Cobo, Justo; Nogueras, Manuel; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","Polarized molecular‒electronic structures and supramolecular aggregation in 1-(6-amino-1,3-benzodioxol-5-yl)-3-arylprop-2-en-1-ones","Acta Crystallographica Section C","2004","60","10","o744","o750","10.1107/S0108270104020414","","","0.71073","MoKα","","0.0703","0.0449","","","0.1142","0.1284","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014536","9.5352","0.0002","10.6193","0.0003","14.7611","0.0004","89.14","0.0014","81.097","0.0017","75.754","0.0014","1430.83","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, triclinic polymorph","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","SK1762","Low, John N.; Cobo, Justo; Nogueras, Manuel; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","Polarized molecular‒electronic structures and supramolecular aggregation in 1-(6-amino-1,3-benzodioxol-5-yl)-3-arylprop-2-en-1-ones","Acta Crystallographica Section C","2004","60","10","o744","o750","10.1107/S0108270104020414","","","0.71073","MoKα","","0.0699","0.0488","","","0.128","0.1371","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014537","7.342","0.0002","10.9241","0.0003","18.7176","0.0005","85.018","0.0011","83.228","0.0014","75.818","0.0014","1442.71","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1-(6-Amino-1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one","","- C17 H12 F3 N O3 -","- C17 H12 F3 N O3 -","- C68 H48 F12 N4 O12 -","4","2","SK1762","Low, John N.; Cobo, Justo; Nogueras, Manuel; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","Polarized molecular‒electronic structures and supramolecular aggregation in 1-(6-amino-1,3-benzodioxol-5-yl)-3-arylprop-2-en-1-ones","Acta Crystallographica Section C","2004","60","10","o744","o750","10.1107/S0108270104020414","","","0.71073","MoKα","","0.0868","0.052","","","0.1374","0.157","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014538","10.2353","0.0006","7.7684","0.0004","23.0287","0.0014","90","","102.78","0.004","90","","1785.69","0.18","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(methylsulfonyl)amido-κN]bis(2-picoline-κN)copper(I)","","- C14 H20 Cu N3 O4 S2 -","- C14 H20 Cu N3 O4 S2 -","- C56 H80 Cu4 N12 O16 S8 -","4","1","SK1763","Jones, Peter G.; Zerbe, Eva-Maria; Wölper, Christoph","Polysulfonylamines. CLXXI. [Di(methanesulfonyl)amido-κ<i>N</i>]bis(2-picoline-κ<i>N</i>)copper(I)","Acta Crystallographica Section C","2004","60","10","m529","m531","10.1107/S0108270104020499","","","0.71073","MoKα","","0.0355","0.0261","","","0.0697","0.0729","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014539","7.492","0.0001","12.9293","0.0001","13.7904","0.0001","90","","90","","90","","1335.83","0.02","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","Diaquahexa-μ-cyano-ferrate(III)praseodymium(III) dihydrate","","- C6 H8 Fe N6 O4 Pr -","- C6 H8 Fe N6 O4 Pr -","- C24 H32 Fe4 N24 O16 Pr4 -","4","0.25","SK1764","Langer, Vratislav; Smrčok, Ľubomír; Masuda, Yoshio","Pseudo-merohedrally twinned praseodymium hexacyanoferrate(III) tetrahydrate","Acta Crystallographica Section C","2004","60","11","i104","i106","10.1107/S010827010402092X","","","0.71073","MoKα","","0.0176","0.0168","","","0.0383","0.0388","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014540","8.6201","0.0006","13.5104","0.0007","13.5612","0.001","90","","99.627","0.006","90","","1557.11","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","mer-Diaquabis(1H-imidazole-κN^3^)(orotato-κ^2^N,O)nickel(II)","","- C11 H14 N6 Ni O6 -","- C11 H14 N6 Ni O6 -","- C44 H56 N24 Ni4 O24 -","4","1","SK1765","Uçar, İbrahim; Bulut, Ahmet; Yeşilel, Okan Zafer; Ölmez, Halis; Büyükgüngör, Orhan","<i>mer</i>-Diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)(orotato-κ^2^<i>N</i>^3^,<i>O</i>^4^)nickel(II)","Acta Crystallographica Section C","2004","60","11","m563","m566","10.1107/S0108270104022462","","","0.71073","MoKα","","0.0325","0.0271","","","0.0702","0.0718","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014541","17.0056","0.0017","10.7527","0.0011","15.7079","0.0016","90","","99.367","0.002","90","","2834","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","9-Chloro-8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline","","- C17 H15 Cl F N O -","- C17 H15 Cl F N O -","- C136 H120 Cl8 F8 N8 O8 -","8","1","SK1768","Ravikumar, K.; Mahesh, M.; Narayana Reddy, V. V.","Imino Diels‒Alder adducts. I. Two furo[3,2-<i>c</i>]quinoline diastereoisomers","Acta Crystallographica Section C","2004","60","12","o887","o889","10.1107/S0108270104023789","","","0.71073","MoKα","","0.075","0.0533","","","0.1328","0.1468","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014542","8.1796","0.0006","17.9041","0.0012","9.6562","0.0007","90","","91.017","0.001","90","","1413.91","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9-Chloro-8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline","","- C17 H15 Cl F N O -","- C17 H15 Cl F N O -","- C68 H60 Cl4 F4 N4 O4 -","4","1","SK1768","Ravikumar, K.; Mahesh, M.; Narayana Reddy, V. V.","Imino Diels‒Alder adducts. I. Two furo[3,2-<i>c</i>]quinoline diastereoisomers","Acta Crystallographica Section C","2004","60","12","o887","o889","10.1107/S0108270104023789","","","0.71073","MoKα","","0.0545","0.0495","","","0.1319","0.1362","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014543","9.6497","0.0007","12.1378","0.0005","16.5063","0.0011","90","","90","","90","","1933.3","0.2","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N-(3-Methylpteridin-4-one-2-yl)glycine","","- C9 H9 N5 O3 -","- C9 H9 N5 O3 -","- C72 H72 N40 O24 -","8","1","SK1769","Arranz Mascarós, Paloma; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher","<i>N</i>-(3-Methyl-4-oxo-3,4-dihydropteridin-2-yl)glycine: hydrogen-bonded sheets of <i>R</i>~4~^4^(22) and <i>R</i>~4~^4^(30) rings","Acta Crystallographica Section C","2004","60","11","o795","o797","10.1107/S010827010402222X","","","0.71073","MoKα","","0.1075","0.0697","","","0.0969","0.106","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014544","12.3581","0.0009","16.7472","0.0013","14.743","0.0011","90","","93.156","0.002","90","","3046.6","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","di-μ-hydroxo-bis{[N,N'-bis(di-1-piperidylmethylene)propane-1,3-diamine- κ^2^N,N']copper(II)} bis(hexafluorophosphate)","","- C50 H94 Cu2 F12 N12 O2 P2 -","- C50 H94 Cu2 F12 N12 O2 P2 -","- C100 H188 Cu4 F24 N24 O4 P4 -","2","0.5","SK1771","Herres, Sonja; Flörke, Ulrich; Henkel, Gerald","The first di-μ-hydroxo-bridged binuclear copper complex containing a bis-guanidine ligand","Acta Crystallographica Section C","2004","60","12","m659","m660","10.1107/S0108270104023832","","","0.71073","MoKα","","0.0925","0.0553","","","0.1375","0.1614","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014545","8.6962","0.0003","20.5493","0.0006","21.7392","0.0005","69.597","0.002","88.587","0.002","78.962","0.003","3569.99","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Trityl losartan","2-butyl-4-chloro-3-[2'-(2-trityl-2H-tetrazol-5-yl)biphenyl-4-ylmethyl]- 1H-imidazol-5-ylmethanol","","- C41 H37 Cl N6 O -","- C41 H37 Cl N6 O -","- C164 H148 Cl4 N24 O4 -","4","2","SK1772","Sieroń, Lesław; Nagaraj, B.; Prabhuswamy, B.; Yathirajan, H. S.; Nagaraja, P.; Narasegowda, R. S.; Gaonkar, S. L.","Trityl losartan","Acta Crystallographica Section C","2004","60","11","o821","o823","10.1107/S0108270104024096","","","0.71073","MoKα","","0.0688","0.0483","","","0.1299","0.1431","","","","","","1.128","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014546","18.91","0.001","5.1093","0.0002","17.0632","0.0009","90","","90.885","0.003","90","","1648.4","0.14","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Phenyl-4H,6H-1,2,4-oxadiazolin-5-one","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C72 H64 N16 O16 -","8","1","SK1774","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","3-Phenyl-4<i>H</i>,6<i>H</i>-1,2,4-oxadiazol-5-one","Acta Crystallographica Section C","2004","60","11","o818","o820","10.1107/S0108270104023406","","","0.71073","MoKα","","0.1019","0.0532","","","0.1157","0.1358","","","","","","0.976","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014547","11.4147","0.0003","12.9907","0.0004","14.2937","0.0005","90","","90.29","0.002","90","","2119.51","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Barium clodronate","Poly[[tetraaqua(μ~7~-hydrogen dichloromethylenebisphosphonato)(μ~5~-hydrogen dichloromethylenebisphosphonato)tribarium(II)] monohydrate]","","- C2 H12 Ba3 Cl4 O17 P4 -","- C2 H12 Ba3 Cl4 O17 P4 -","- C8 H48 Ba12 Cl16 O68 P16 -","4","1","SK1775","Kontturi, Mervi; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","Poly[[tetraaqua(μ~7~-hydrogen dichloromethylenebisphosphonato)(μ~5~-hydrogen dichloromethylenebisphosphonato)tribarium(II)] monohydrate]","Acta Crystallographica Section C","2004","60","11","m592","m594","10.1107/S0108270104023704","","","0.71073","MoKα","","0.0312","0.0263","","","0.056","0.0574","","","","","","1.133","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014548","21.247","0.0011","5.8263","0.0003","11.4131","0.0006","90","","98.197","0.003","90","","1398.41","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-(4-Bromophenyl)-6,7-dihydro-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C64 H48 Br4 N4 O12 -","4","1","SK1778","Low, John N.; Cobo, Justo; Cuervo, Paola; Abonia, Rodrigo; Glidewell, Christopher","6-(4-Bromophenyl)-6,7-dihydro-1,3-dioxolo[4,5-<i>g</i>]quinolin-8(5<i>H</i>)-one: bilayers built from N—H···O, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2004","60","11","o827","o829","10.1107/S0108270104024564","","","0.71073","MoKα","","0.0712","0.0455","","","0.1095","0.1308","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014549","8.2208","0.0002","13.0786","0.0004","13.9233","0.0004","90","","90","","90","","1496.99","0.07","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Nitrophthalimide","","- C8 H4 N2 O4 -","- C8 H4 N2 O4 -","- C64 H32 N16 O32 -","8","1","SK1783","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Isomeric nitrophthalimides: sheets built from N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2004","60","12","o872","o875","10.1107/S0108270104026137","","","0.71073","MoKα","","0.0455","0.0392","","","0.0959","0.0989","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014550","5.3114","0.0003","5.6812","0.0005","24.645","0.002","90","","90","","90","","743.67","0.1","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Nitrophthalimide","","- C8 H4 N2 O4 -","- C8 H4 N2 O4 -","- C32 H16 N8 O16 -","4","1","SK1783","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Isomeric nitrophthalimides: sheets built from N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2004","60","12","o872","o875","10.1107/S0108270104026137","","","0.71073","MoKα","","0.0623","0.0432","","","0.1013","0.1095","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014551","13.583","0.0003","21.127","0.0005","6.817","0.0002","90","","116.552","0.0011","90","","1749.93","0.08","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","KAPdimerneedle","Potassium hydrogen diphthalate dihydrate","","- C16 H15 K O10 -","- C16 H15 K O10 -","- C64 H60 K4 O40 -","4","0.5","SQ1160","Jason B. Benedict; Theresa Bullard; Werner Kaminsky; Bart Kahr","Potassium hydrogen diphthalate dihydrate: a new structure and correction to the literature","Acta Crystallographica Section C","2004","60","11","m551","m553","10.1107/S0108270104019043","","","0.71073","MoKα","","0.0447","0.0305","","","0.0767","0.0819","","","","","","0.999","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014552","3.9069","0.0001","13.4984","0.0005","20.936","0.0009","90","","91.733","0.002","90","","1103.59","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,6-dimethoxy-2H-furo[2,3-h]-1-benzopyran-2-one","","- C13 H10 O5 -","- C13 H10 O5 -","- C52 H40 O20 -","4","1","SQ1167","Oliveira, P. E. S. de; Conserva, L.M.; De Simone, C.A.; Pereira, M.A.; Malta, V.R.S.; Imbroisi, D.O.","A pimpinellin monomer and dimer isolated from the roots of <i>Esenbeckia grandiflora</i>","Acta Crystallographica Section C","2004","60","12","o900","o902","10.1107/S0108270104023777","","","0.71073","MoKα","","0.0916","0.0557","","","0.1328","0.1529","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014553","9.205","0.002","14.285","0.004","17.978","0.005","84","0.01","83.28","0.01","77.66","0.01","2285.8","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","5,5',6,6'-tetramethoxy-3,3',4,4'-tetrahydro-2H,2'H-3,3':4,4'- bi(furo[2,3-h]-1-benzopyran)-2,2'-dione","","- C26 H20 O10 -","- C26 H20 O10 -","- C104 H80 O40 -","4","2","SQ1167","Oliveira, P. E. S. de; Conserva, L.M.; De Simone, C.A.; Pereira, M.A.; Malta, V.R.S.; Imbroisi, D.O.","A pimpinellin monomer and dimer isolated from the roots of <i>Esenbeckia grandiflora</i>","Acta Crystallographica Section C","2004","60","12","o900","o902","10.1107/S0108270104023777","","","0.71073","MoKα","","0.1934","0.0764","","","0.1394","0.1825","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014554","5.8204","0.0004","7.4391","0.0007","11.2946","0.0008","72.537","0.006","81.447","0.006","87.282","0.006","461.31","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","calcium(II) thiosulphate hexahydrate","calcium(II) thiosulfate hexahydrate","","- Ca H12 O9 S2 -","- Ca H12 O9 S2 -","- Ca2 H24 O18 S4 -","2","1","SQ1168","Held, Peter; Bohatý, Ladislav","Calcium and strontium thiosulfate, CaS~2~O~3~·6H~2~O and SrS~2~O~3~·5H~2~O","Acta Crystallographica Section C","2004","60","10","i97","i100","10.1107/S0108270104017986","","","0.71073","MoKα","","0.0237","0.0192","","","0.0509","0.0529","","","","","","1.056","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014555","21.005","0.003","8.1371","0.0006","10.587","0.001","90","","107.78","0.01","90","","1723.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","strontium(II) thiosulfate pentahydrate","strontium(II) thiosulfate pentahydrate","","- H10 O8 S2 Sr -","- H10 O8 S2 Sr -","- H80 O64 S16 Sr8 -","8","1","SQ1168","Held, Peter; Bohatý, Ladislav","Calcium and strontium thiosulfate, CaS~2~O~3~·6H~2~O and SrS~2~O~3~·5H~2~O","Acta Crystallographica Section C","2004","60","10","i97","i100","10.1107/S0108270104017986","","","0.71073","MoKα","","0.0969","0.0307","","","0.0615","0.0822","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014556","8.753","0.003","8.89","0.003","10.83","0.004","85.44","0.03","69.76","0.02","63.65","0.03","705.8","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-cyano-3-[4-(N,N-diethylamino)phenyl]prop-2-enethioamide","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C28 H34 N6 S2 -","2","1","SQ1169","Nesterov, Vladimir N.; Nesterov, Volodymyr V.","Polymorphism and solvolysis of 2-cyano-3-[4-(<i>N</i>,<i>N</i>-diethylamino)phenyl]prop-2-enethioamide","Acta Crystallographica Section C","2004","60","11","o781","o785","10.1107/S010827010402150X","","","0.71073","MoKα","","0.0556","0.035","","","0.0936","0.0984","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014557","9.167","0.0018","13.023","0.003","12.172","0.002","90","","93.97","0.03","90","","1449.6","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-cyano-3-[4-(N,N-diethylamino)phenyl]prop-2-enethioamide","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C56 H68 N12 S4 -","4","1","SQ1169","Nesterov, Vladimir N.; Nesterov, Volodymyr V.","Polymorphism and solvolysis of 2-cyano-3-[4-(<i>N</i>,<i>N</i>-diethylamino)phenyl]prop-2-enethioamide","Acta Crystallographica Section C","2004","60","11","o781","o785","10.1107/S010827010402150X","","","0.71073","MoKα","","0.0607","0.0384","","","0.1005","0.1131","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014558","39.37","0.008","8.88","0.0018","17.056","0.003","90","","101.19","0.03","90","","5850","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-cyano-3-[4-(N,N-diethylamino)phenyl]prop-2-enethioamide acetonitrile 0.25-solvate","","- C14.5 H17.75 N3.25 S -","- C14.5 H17.75 N3.25 S -","- C232 H284 N52 S16 -","16","2","SQ1169","Nesterov, Vladimir N.; Nesterov, Volodymyr V.","Polymorphism and solvolysis of 2-cyano-3-[4-(<i>N</i>,<i>N</i>-diethylamino)phenyl]prop-2-enethioamide","Acta Crystallographica Section C","2004","60","11","o781","o785","10.1107/S010827010402150X","","","0.71073","MoKα","","0.1504","0.0503","","","0.1184","0.1485","","","","","","0.992","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2014559","17.598","0.005","7.374","0.002","14.771","0.004","90","","101.894","0.004","90","","1875.6","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bis(quinoxaline-κN)cobalt(II)]-di-(μ-dicyanamide-κ^2^N^1^:N^5^)]","","- C20 H12 Co N10 -","- C20 H12 Co N10 -","- C80 H48 Co4 N40 -","4","0.5","SQ1171","Luo, Jun; Liu, Bao-Shu; Zhou, Xi-Geng; Weng, Lin-Hong; Li, Yan-Rong; Wu, Hui-Xia","<i>catena</i>-Poly[[bis(quinoxaline-κ<i>N</i>)cobalt(II)]-di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^] and <i>catena</i>-poly[[bis(quinoxaline-κ<i>N</i>)copper(II)]-di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^]","Acta Crystallographica Section C","2004","60","10","m520","m522","10.1107/S0108270104020657","","","0.71073","MoKα","","0.0714","0.0489","","","0.0971","0.105","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014560","18.205","0.004","7.2185","0.0016","14.766","0.003","90","","102.73","0.004","90","","1892.7","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-poly[[bis(quinoxaline-κN)copper(II)]-di-(μ-dicyanamide-κ^2^N^1^:N^5^)]","","- C20 H12 Cu N10 -","- C20 H12 Cu N10 -","- C80 H48 Cu4 N40 -","4","0.5","SQ1171","Luo, Jun; Liu, Bao-Shu; Zhou, Xi-Geng; Weng, Lin-Hong; Li, Yan-Rong; Wu, Hui-Xia","<i>catena</i>-Poly[[bis(quinoxaline-κ<i>N</i>)cobalt(II)]-di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^] and <i>catena</i>-poly[[bis(quinoxaline-κ<i>N</i>)copper(II)]-di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^]","Acta Crystallographica Section C","2004","60","10","m520","m522","10.1107/S0108270104020657","","","0.71073","MoKα","","0.0657","0.0406","","","0.0884","0.098","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014561","5.3049","0.0007","7.4485","0.0009","5.2537","0.0006","90","","90","","90","","207.59","0.04","295","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Al Gd O3 -","- Al Gd O3 -","- Al4 Gd4 O12 -","4","0.5","SQ1172","Douglas du Boulay; Nobuo Ishizawa; Edward N. Maslen; Deceased 2 February 1997","GdAlO~3~ perovskite","Acta Crystallographica Section C","2004","60","12","i120","i122","10.1107/S0108270104025144","","","0.7","synchrotron","","0.0117","0.0117","","0.0085","","0.0085","","","2.0623","","","2.0623","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014562","7.992","0.002","12.704","0.003","9.471","0.002","90","","99.68","0.03","90","","947.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucine","2,3-dimethoxystrychnidin-10-one","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C46 H52 N4 O8 -","2","1","SQ1174","Agata Białońska; Zbigniew Ciunik","Brucine and two solvates","Acta Crystallographica Section C","2004","60","12","o853","o855","10.1107/S0108270104024874","","","0.71073","MoKα","","0.0427","0.0397","","","0.0864","0.0887","","","","","","1.097","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014563","12.765","0.003","7.136","0.0014","13.686","0.003","90","","114.35","0.03","90","","1135.8","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucine acetone solvate","2,3-dimethoxystrychnidin-10-one acetone solvate","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C52 H64 N4 O10 -","2","1","SQ1174","Agata Białońska; Zbigniew Ciunik","Brucine and two solvates","Acta Crystallographica Section C","2004","60","12","o853","o855","10.1107/S0108270104024874","","","0.71073","MoKα","","0.0306","0.0297","","","0.0798","0.0805","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014564","7.9297","0.0003","12.3289","0.0007","25.1631","0.001","90","","90","","90","","2460.06","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucine 2-propanol solvate dihydrate","2,3-dimethoxystrychnidin-10-one 2-propanol solvate dihydrate","","- C26 H38 N2 O7 -","- C26 H38 N2 O7 -","- C104 H152 N8 O28 -","4","1","SQ1174","Agata Białońska; Zbigniew Ciunik","Brucine and two solvates","Acta Crystallographica Section C","2004","60","12","o853","o855","10.1107/S0108270104024874","","","0.71073","MoKα","","0.0318","0.029","","","0.0727","0.074","","","","","","1.059","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014565","5.703","0.003","10.313","0.005","12.805","0.006","86.978","0.006","84.452","0.007","77.115","0.007","730.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[di-μ-benzoato-κ^4^O:O'-disilver(I)]-μ-N,N'- bis(2-fluorobenzylidene)butane-1,4-diamine-κ^2^N:N']","","- C32 H28 Ag2 F2 N2 O4 -","- C32 H28 Ag2 F2 N2 O4 -","- C32 H28 Ag2 F2 N2 O4 -","1","0.5","SQ1176","You, Zhong-Lu; Zhu, Hai-Liang","<i>catena</i>-Poly[[di-μ-benzoato-κ^4^<i>O</i>:<i>O</i>'-disilver(I)]-μ-<i>N</i>,<i>N</i>'-bis(2-fluorobenzylidene)butane-1,4-diamine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","11","m567","m568","10.1107/S0108270104023066","","","0.71073","MoKα","","0.0948","0.0801","","","0.2007","0.2149","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014566","18.63","0.004","7.25","0.003","9.552","0.002","90","","101.17","0.03","90","","1265.7","0.7","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","catena-Poly[[[μ-pyrazine-κ^2^N:N'-disilver(I)]-di-μ-pyrazine-κ^4^N:N'] bis(trifluoromethanesulfonate) dihydrate]","","- C7 H8 Ag F3 N3 O4 S -","- C14 H16 Ag2 F6 N6 O8 S2 -","- C28 H32 Ag4 F12 N12 O16 S4 -","2","0.25","SQ1178","You, Zhong-Lu; Zhu, Hai-Liang; Liu, Wei-Sheng","<i>catena</i>-Poly[[[μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'-disilver(I)]-di-μ-pyrazine-κ^4^<i>N</i>:<i>N</i>'] bis(trifluoromethanesulfonate) dihydrate]","Acta Crystallographica Section C","2004","60","12","m620","m622","10.1107/S0108270104025089","","","0.71073","MoKα","","0.0479","0.0447","","","0.1111","0.1134","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014567","11.166","0.005","14.852","0.007","8.636","0.004","90","","97.89","0.04","90","","1418.6","1.1","297","1","","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[(R)-3,5-dichloro-N-(1-phenylethyl)salicylideneaminato-κ^2^N,O)]copper(II)","","- C30 H24 Cl4 Cu N2 O2 -","- C30 H24 Cl4 Cu N2 O2 -","- C60 H48 Cl8 Cu2 N4 O4 -","2","1","SQ1180","Akitsu, Takashiro; Einaga, Yasuaki","Bis[(<i>R</i>)-3,5-dichloro-<i>N</i>-(1-phenylethyl)salicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II) and bis[(<i>R</i>)-3-ethoxy-<i>N</i>-(1-phenylethyl)salicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II)","Acta Crystallographica Section C","2004","60","12","m640","m642","10.1107/S0108270104026575","","","0.7107","MoKα","","","0.0343","","","","0.093","","","","","","1.051","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014568","9.227","0.004","42.38","0.01","8.035","0.003","90","","103.67","0.03","90","","3053","1.9","298","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","bis[(R)-3-ethoxy-N-(1-phenylethyl)salicylideneaminato-κ^2^N,O)]copper(II)","","- C34 H36 Cu N2 O4 -","- C34 H36 Cu N2 O4 -","- C136 H144 Cu4 N8 O16 -","4","2","SQ1180","Akitsu, Takashiro; Einaga, Yasuaki","Bis[(<i>R</i>)-3,5-dichloro-<i>N</i>-(1-phenylethyl)salicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II) and bis[(<i>R</i>)-3-ethoxy-<i>N</i>-(1-phenylethyl)salicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II)","Acta Crystallographica Section C","2004","60","12","m640","m642","10.1107/S0108270104026575","","","0.7107","MoKα","","","0.0661","","","","0.242","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2014569","14.552","0.005","4.61","0.002","15.989","0.005","90","","109.86","0.03","90","","1008.8","0.7","123.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","cyclo-(3-Methylsaligenyl)-5-O-[1-(2,4-difluoro-5-iodophenyl)-2 -deoxy-β-D-ribofuranosyl]-(S)-phosphate","(2S)-2-[1-(2,4-Difluoro-5-iodophenyl)-2-deoxy-β-D-ribofuranos-5-yl]-8- methyl-4H-1,3,2-benzodioxaphosphole 2-oxide","","- C19 H18 F2 I O6 P -","- C19 H18 F2 I O6 P -","- C38 H36 F4 I2 O12 P2 -","2","1","SX1133","Ohkura, Kazue; Sun, Wei-Yan; Seki, Koh-ichi; Knaus, Edward E.; Wiebe, Leonard I.","(2<i>S</i>)-2-[1-(2,4-Difluoro-5-iodophenyl)-2-deoxy-β-<small>D</small>-ribofuranos-5-yloxy]-8-methyl-4<i>H</i>-1,3,2-benzodioxaphosphole 2-oxide","Acta Crystallographica Section C","2004","60","11","o789","o791","10.1107/S0108270104021602","","","0.7107","MoKα","","","0.037","","","","0.096","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014570","5.0475","0.0009","10.0957","0.0009","13.735","0.003","88.674","0.012","83.414","0.019","85.922","0.01","693.5","0.2","150","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H24 N2 O4 -","- C12 H24 N2 O4 -","- C24 H48 N4 O8 -","2","1","SX1143","Štefanić, Zoran; Meden, Anton; Lutz, Martin; Schreurs, Antoine M.M.; Kojić-Prodić, Biserka","The twinned crystal structure of <i>rac</i>-(<i>R</i>,<i>R</i>)-<i>N</i>,<i>N</i>'-oxalyldivalinol","Acta Crystallographica Section C","2004","60","10","o754","o756","10.1107/S0108270104020141","","","0.71073","MoKα","","","0.0626","","","","0.1255","","","","","","1.212","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014571","6.2531","0.001","13.738","0.002","8.8997","0.0014","90","","98.281","0.003","90","","756.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(4R)-3-Allenyl-4-(diphenylmethyl)oxazolidin-2-one","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C38 H34 N2 O4 -","2","1","SX1144","Tracey, Michael R.; Grebe, Tyler P.; Brennessel, William W.; Hsung, Richard P.","(4<i>R</i>)-3-Allenyl-4-(diphenylmethyl)oxazolidin-2-one, an unsubstituted allenamide","Acta Crystallographica Section C","2004","60","11","o830","o832","10.1107/S0108270104023121","","","0.71073","MoKα","","0.0424","0.0337","","","0.0751","0.079","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014572","10.523","0.003","6.0404","0.0015","11.231","0.003","90","","94.478","0.005","90","","711.7","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,5R,7S,8S,9S)-7-hydroxy-8-hydroxymethyl-4-methyl-perhydrocyclopenta[c]pyran- 1-one chloroform solvate","","- C11 H17 Cl3 O4 -","- C11 H17 Cl3 O4 -","- C22 H34 Cl6 O8 -","2","1","SX1145","Khera, Smriti; Carducci, Michael D.; Gu, Jian-Qiao; Timmermann, Barbara N.","(4<i>R</i>,4a<i>R</i>,6<i>S</i>,7<i>S</i>,7a<i>S</i>)-6-Hydroxy-7-hydroxymethyl-4-methylperhydrocyclopenta[<i>c</i>]pyran-1-one chloroform solvate from <i>Valeriana laxiflora</i>","Acta Crystallographica Section C","2004","60","11","o773","o775","10.1107/S0108270104021511","","","0.71073","MoKα","","0.1205","0.0621","","","0.0899","0.1042","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014573","9.248","0.001","9.317","0.001","11.612","0.001","90","","90","","90","","1000.53","0.18","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aS,8aS)-4a-Methyl-3-methyleneperhydrochromen-2-one","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","SX1146","Krawczyk, Henryk; Śliwiński, Marcin; Wolf, Wojciech M.","X-ray investigations of bicyclic α-methylene-δ-valerolactones. II. (4a<i>S</i>,8a<i>S</i>)-4a-Methyl-3-methyleneperhydrochromen-2-one","Acta Crystallographica Section C","2004","60","12","o897","o899","10.1107/S0108270104027027","","","1.54178","CuKα","","0.029","0.0287","","","0.0876","0.0882","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014574","5.3382","0.0013","6.3827","0.0016","36.741","0.009","90","","90","","90","","1251.8","0.5","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Seryl-L-phenylalanine","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C48 H64 N8 O16 -","4","1","SX1147","Helle, Ina Høydal; Løkken, Camilla Victoria; Görbitz, Carl Henrik; Dalhus, Bjørn","<small>L</small>-Seryl-<small>L</small>-phenylalanine","Acta Crystallographica Section C","2004","60","10","o771","o772","10.1107/S0108270104021523","","","0.71073","MoKα","","0.0438","0.0383","","","0.0955","0.0982","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014575","7.9765","0.0016","9.8921","0.0014","7.22","0.002","90","","102.22","0.02","90","","556.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bis(chloroacetoxy)butane","Butane-1,4-diyl bis(chloroacetate)","","- C8 H12 Cl2 O4 -","- C8 H12 Cl2 O4 -","- C16 H24 Cl4 O8 -","2","0.5","SX1149","Urpí, Lourdes; Martínez-Palau, Meritxell; Font-Bardia, Mercè; Puiggalí, Jordi","Butane-1,4-diyl bis(chloroacetate)","Acta Crystallographica Section C","2004","60","12","o847","o849","10.1107/S0108270104024709","","","0.71073","MoKα","","0.128","0.0529","","","0.1138","0.1383","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014576","5.274","0.0001","7.022","0.0002","24.233","0.0007","90","","90","","90","","897.45","0.04","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","L-Methioninium chloride","(S)-1-Carboxy-3-(methylsulfanyl)propanaminium chloride","","- C5 H12 Cl N O2 S -","- C5 H12 Cl N O2 S -","- C20 H48 Cl4 N4 O8 S4 -","4","1","SX1150","Chruszcz, Maksymilian; Cymborowski, Marcin; Gawlicka-Chruszcz, Anna; Yasukawa, Shoichi; Ferrara, Joseph D.; Minor, Wladek","<small>L</small>-Methioninium chloride and <small>L</small>-selenomethioninium chloride at 103K","Acta Crystallographica Section C","2004","60","12","o868","o871","10.1107/S0108270104025223","","","0.71073","MoKα","","0.0191","0.0186","","","0.0496","0.0498","","","","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014577","5.237","0.0005","7.066","0.0003","25.096","0.0012","90","","90","","90","","928.67","0.11","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","L-Selenomethioninium chloride","(S)-1-Carboxy-3-(methylselanyl)propanaminium chloride","","- C5 H12 Cl N O2 Se -","- C5 H12 Cl N O2 Se -","- C20 H48 Cl4 N4 O8 Se4 -","4","1","SX1150","Chruszcz, Maksymilian; Cymborowski, Marcin; Gawlicka-Chruszcz, Anna; Yasukawa, Shoichi; Ferrara, Joseph D.; Minor, Wladek","<small>L</small>-Methioninium chloride and <small>L</small>-selenomethioninium chloride at 103K","Acta Crystallographica Section C","2004","60","12","o868","o871","10.1107/S0108270104025223","","","0.71073","MoKα","","0.0284","0.0264","","","0.068","0.0691","","","","","","1.054","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014578","4.9302","0.0009","10.993","0.002","9.436","0.0016","90","","98.62","0.02","90","","505.63","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","6-Aza-2'-deoxy-2'-arabinofluorouridine","2-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione","","- C8 H10 F N3 O5 -","- C8 H10 F N3 O5 -","- C16 H20 F2 N6 O10 -","2","1","SX1151","Seela, Frank; Chittepu, Padmaja; He, Junlin; Eickmeier, Henning","6-Aza-2'-deoxy-2'-arabinofluorouridine, a 2'-deoxyribonucleoside with an N-sugar conformation in the solid state and in solution","Acta Crystallographica Section C","2004","60","12","o884","o886","10.1107/S0108270104023649","","","0.71073","MoKα","","0.0348","0.0338","","","0.0931","0.0943","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014579","23.7595","0.0009","24.2234","0.0008","9.3546","0.0003","90","","90","","90","","5383.9","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5,11,17,23-tetra-tert-butyl-25-methoxycarbonylmethoxy-26,27,28- trihydroxycalix[4]arene chloroform trisolvate","","- C50 H63 Cl9 O6 -","- C50 H63 Cl9 O6 -","- C200 H252 Cl36 O24 -","4","1","SX1158","Ben Othman, Amel; Cheriaa, Najah; Abidi, Rym; Vicens, Jacques; Thuéry, Pierre","Self-inclusion in 5,11,17,23-tetra-<i>tert</i>-butyl-26,27,28-trihydroxy-25-(methoxycarbonylmethoxy)calix[4]arene chloroform trisolvate","Acta Crystallographica Section C","2004","60","12","o859","o861","10.1107/S0108270104026356","","","0.71073","MoKα","","0.0711","0.0475","","","0.1096","0.1253","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014580","12.95","0.003","8.036","0.003","20.436","0.006","90","","90.14","0.02","90","","2126.7","1.1","296","","","","","","","","","","","3","C 1 2 1","C 2y","5","Swertisin dihydrate","6-C-glucopyranosyl-7-O-methylapigenin dihydrate","","- C22 H26 O12 -","- C22 H26 O12 -","- C88 H104 O48 -","4","1","SX1162","Ohba, Shigeru; Yoshida, Kumi; Kondo, Tadao","Swertisin dihydrate","Acta Crystallographica Section C","2004","60","12","o893","o896","10.1107/S0108270104028355","","","0.71073","MoKα","","","0.0454","","","","0.1348","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014581","24.309","0.01","10.161","0.004","9.326","0.004","90","","100.677","0.007","90","","2263.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,2'-Diphenic Acid Benzidine Manganese(II)","Poly[manganese(II)-μ~3~-μ~2~-benzidine-k^2^N,N'-2,2'-biphenyldicarboxylato- κ^4^O:O',O'':O''']","","- C26 H20 Mn N2 O4 -","- C26 H20 Mn N2 O4 -","- C104 H80 Mn4 N8 O16 -","4","0.5","TA1439","Jiang, Min; Li, Jun; Zhang, Feng-Xing","Poly[manganese(II)-μ~2~-benzidine-κ^2^<i>N</i>:<i>N</i>'-μ~3~-biphenyl-2,2'-dicarboxylato-κ^4^<i>O</i>:<i>O</i>',<i>O</i>'':<i>O</i>''']","Acta Crystallographica Section C","2004","60","10","m501","m503","10.1107/S0108270104020050","","","0.71073","MoKα","","0.0685","0.0415","","","0.0778","0.083","","","","","","0.865","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014582","9.458","0.003","10.381","0.003","12.838","0.003","88.402","0.005","74.831","0.004","63.064","0.004","1078.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[bis(μ~4~-dimethylglyoximato)bis(μ~2~- dimethylglyoximato)bis(dimethylglyoxime)tetracopper(II) diperchlorate dihydrate","","- C24 H46 Cl2 Cu4 N12 O22 -","- C24 H46 Cl2 Cu4 N12 O22 -","- C24 H46 Cl2 Cu4 N12 O22 -","1","0.5","TA1453","Zhang, Bao-Feng; Xie, Cheng-Zhi; Liu, Xuan-Wen; Wang, Xiao-Qing; Wang, Ru-Ji; Shen, Guang-Qiu; Shen, De-Zhong","A novel one-dimensional zigzag coordination polymer of copper(II) with dimethylglyoxime","Acta Crystallographica Section C","2004","60","10","m546","m548","10.1107/S0108270104021456","","","0.71073","MoKα","","0.0662","0.0444","","","0.0849","0.0929","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014583","9.37","0.002","9.793","0.002","13.86","0.004","98.02","0.02","93.61","0.03","99.63","0.02","1236.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-hydroxo-bis[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)] trans-bis(2-{[(E)-(5-formyl-2- oxido-κO-phenyl)methylidene]amino-κN}ethanesulfonato(2-))copper(II) hexahydrate","","- C44 H52 Cu3 N6 O20 S2 -","- C44 H46 Cu3 N6 O20 S2 -","- C44 H46 Cu3 N6 O20 S2 -","1","0.5","TA1454","Jiang, Yi-Min; Zeng, Ju-Lan; Yu, Kai-Bei","Di-μ-hydroxo-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)] <i>trans</i>-bis(2-{[(<i>E</i>)-5-formyl-2-oxido-κ<i>O</i>-benzylidene]amino-κ<i>N</i>}ethanesulfonato(2‒))copper(II) hexahydrate","Acta Crystallographica Section C","2004","60","10","m543","m545","10.1107/S0108270104021468","","","0.71073","MoKα","","0.0467","0.0342","","","0.0894","0.0919","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014584","8.072","0.005","8.279","0.005","11.327","0.005","76.195","0.005","73.134","0.005","74.199","0.005","686.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aquadichloro(di-2-pyridyldiazene)copper(II) monohydrate","","- C10 H12 Cl2 Cu N4 O2 -","- C10 H12 Cl2 Cu N4 O2 -","- C20 H24 Cl4 Cu2 N8 O4 -","2","1","TA1463","Uçar, İbrahim; Arslan, Figen; Bulut, Ahmet; İçbudak, Hasan; Ölmez, Hali̇s; Büyükgüngör, Orhan","Aquadichloro(di-2-pyridyldiazene)copper(II) monohydrate","Acta Crystallographica Section C","2004","60","10","m523","m525","10.1107/S0108270104020840","","","0.71069","MoKα","","0.0555","0.0432","","","0.0956","0.1019","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014585","7.6931","0.0008","7.6931","0.0008","14.623","0.003","90","","90","","120","","749.5","0.19","296","2","296","2","","","","","","","","5","P 31","P 31","144","dipotassium hydrogen chromatoarsenate","dipotassium hydrogen chromatoarsenate","","- As Cr2 H K2 O10 -","- As Cr2 H K2 O10 -","- As3 Cr6 H3 K6 O30 -","3","1","TA1472","Weakley, T. J. R.; Ylvisaker, E. R.; Yager, R. J.; Wu, P.; Photinos, P.; Abrahams, S. C.","K~2~[HCr~2~AsO~10~]: redetermination of phase II and the predicted structure of phase I","Acta Crystallographica Section C","2004","60","12","i113","i116","10.1107/S0108270104026368","","","0.71073","MoKα","","0.0505","0.0503","","","0.1292","0.1293","","","","","","1.292","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014586","7.6963","0.0009","7.6963","0.0009","14.6171","0.0011","90","","90","","120","","749.82","0.14","294","2","294","1","","","","","","","","5","P 32","P 32","145","dipotassium hydrogen chromatoarsenate","dipotassium hydrogen chromatoarsenate","","- As Cr2 H K2 O10 -","- As Cr2 H K2 O10 -","- As3 Cr6 H3 K6 O30 -","3","1","TA1472","Weakley, T. J. R.; Ylvisaker, E. R.; Yager, R. J.; Wu, P.; Photinos, P.; Abrahams, S. C.","K~2~[HCr~2~AsO~10~]: redetermination of phase II and the predicted structure of phase I","Acta Crystallographica Section C","2004","60","12","i113","i116","10.1107/S0108270104026368","","","0.71073","MoKα","","0.0228","0.0206","","","0.0524","0.0531","","","","","","1.075","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014587","10.5794","0.0004","10.5794","0.0004","14.0773","0.0012","90","","90","","90","","1575.58","0.16","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","N,N'-bis(ethoxythiocarbonyl)terephthalamide","O,O'-diethyl N,N'-(p-phenylenedicarbonyl)dithiocarbamate","","- C14 H16 N2 O4 S2 -","- C14 H16 N2 O4 S2 -","- C56 H64 N8 O16 S8 -","4","0.5","TA1474","Blewett, Gavin; Esterhuysen, Catharine; Bredenkamp, Martin W.; Koch, Klaus R.","The first bipodal thiocarbamic acid ester, <i>O</i>,<i>O</i>'-diethyl <i>N</i>,<i>N</i>'-(<i>p</i>-phenylenedicarbonyl)bis(thiocarbamate)","Acta Crystallographica Section C","2004","60","12","o862","o864","10.1107/S0108270104026587","","","0.71073","MoKα","","0.0444","0.0413","","","0.1025","0.1042","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014588","9.554","0.0005","15.4561","0.0011","18.4412","0.0009","90","","90","","90","","2723.2","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[chloro(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ-1,3- imidazolato-κ^2^N:N']","","- C15 H11 Cl Cu N4 -","- C15 H11 Cl Cu N4 -","- C120 H88 Cl8 Cu8 N32 -","8","1","TA1475","Hu, Mao-Lin; Cai, Xiao-Qing; Shi, Qian; Cheng, Ya-Qian","<i>catena</i>-Poly[[chloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-imidazolato-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","11","m575","m577","10.1107/S010827010402311X","","","0.71073","MoKα","","0.0359","0.0297","","","0.0708","0.0737","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014589","10.511","0.003","13.707","0.004","15.551","0.005","72.785","0.004","82.336","0.004","78.048","0.005","2087.5","1.1","297","2","566","2","","","","","","","","6","P -1","-P 1","2","μ-iminodiacetato-1:2κ^4^O,N,O':O''-tris(1,10-phenanthroline)- 1κ^4^N,N';2κ^2^N,N'-dicopper(II) diperchlorate methanol solvate","μ-iminodiacetato-1:2κ^4^O,N,O':O''-tris(1,10-phenanthroline)- 1κ^4^N,N';2κ^2^N,N'-dicopper(II) diperchlorate methanol solvate","","- C41 H33 Cl2 Cu2 N7 O13 -","- C41 H33 Cl2 Cu2 N7 O13 -","- C82 H66 Cl4 Cu4 N14 O26 -","2","1","TR1091","Wei, Yi-Bin; Yuan, Cai-Xia; Yang, Pin","[Cu(phen)~2~(μ-IDA)Cu(phen)](ClO~4~)~2~·CH~3~OH: tridentate and monodentate binding to two copper(II) species by a bridging ligand","Acta Crystallographica Section C","2004","60","10","m512","m514","10.1107/S010827010402102X","","","0.71073","MoKα","","0.1248","0.0774","","","0.1592","0.179","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014590","10.6758","0.0012","13.5533","0.0015","21.255","0.002","90","","90","","90","","3075.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,R)-Tricarbonyl{η^6^-2-[1-diphenylphosphino-1- (diphenylphosphino)ethyl]benzene}chromium(0)","","- C35 H28 Cr O3 P2 -","- C35 H28 Cr O3 P2 -","- C140 H112 Cr4 O12 P8 -","4","1","TR1096","Braun, Wolfgang; Calmuschi, Beatrice; Drexler, Hans-Joachim; Englert, Ulli; Heller, Detlef; Salzer, Albrecht","(<i>R</i>,<i>R</i>)-Tricarbonyl{η^6^-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}chromium(0), (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate and (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","Acta Crystallographica Section C","2004","60","10","m532","m536","10.1107/S0108270104020773","","","0.71073","MoKα","","0.0481","0.0416","","","0.0946","0.0979","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014591","14.3886","0.0006","14.3886","0.0006","76.056","0.004","90","","90","","90","","15746","1.2","110","2","110","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","(R,R)-tricarbonyl-1κ^3^C-{μ-1(η^6^):2κ^2^P,P'-1-(diphenylphosphino)-2-[1- (diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate","","- C42.75 H39 B Cr F4 O3.75 P2 Rh -","- C42.75 H39 B Cr F4 O3.75 P2 Rh -","- C684 H624 B16 Cr16 F64 O60 P32 Rh16 -","16","2","TR1096","Braun, Wolfgang; Calmuschi, Beatrice; Drexler, Hans-Joachim; Englert, Ulli; Heller, Detlef; Salzer, Albrecht","(<i>R</i>,<i>R</i>)-Tricarbonyl{η^6^-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}chromium(0), (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate and (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","Acta Crystallographica Section C","2004","60","10","m532","m536","10.1107/S0108270104020773","","","0.71073","MoKα","","0.1151","0.071","","","0.1552","0.1741","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014592","11.262","0.002","14.116","0.003","14.226","0.003","90","","107.81","0.03","90","","2153.2","0.8","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","(R,R)-tricarbonyl-1κ^3^C-{μ-1(η^6^):2κ^2^P,P'-1-(diphenylphosphino)-2-[1- (diphenylphosphino)ethyl]benzene}[2(η^4^)-(Z,Z)-cycloocta-1,5- diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","","- C44.5 H46 B Cr F4 O4.5 P2 Rh -","- C44.5 H46 B Cr F4 O4.5 P2 Rh -","- C89 H92 B2 Cr2 F8 O9 P4 Rh2 -","2","1","TR1096","Braun, Wolfgang; Calmuschi, Beatrice; Drexler, Hans-Joachim; Englert, Ulli; Heller, Detlef; Salzer, Albrecht","(<i>R</i>,<i>R</i>)-Tricarbonyl{η^6^-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}chromium(0), (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate and (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","Acta Crystallographica Section C","2004","60","10","m532","m536","10.1107/S0108270104020773","","","0.71073","MoKα","","0.044","0.0339","","","0.0705","0.0739","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2014593","19.17","0.001","42.244","0.003","8.4475","0.0006","90","","90","","90","","6840.9","0.8","100","1","100","1","","","","","","","","4","F d d 2","F 2 -2d","43","","diphenyl(4-pyridyl)methyl methacrylate","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C352 H304 N16 O32 -","16","1","TR1099","Gobius du Sart, Gerrit; Alberda van Ekenstein, Gert O. R.; Meetsma, Auke; Ten Brinke, Gerrit","Two new polymorphs of diphenyl(4-pyridyl)methyl methacrylate","Acta Crystallographica Section C","2004","60","11","o824","o826","10.1107/S0108270104024217","","","0.71073","MoKα","","0.0438","0.0371","","","0.0823","0.0852","","","","","","1.064","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014594","16.712","0.002","11.891","0.001","17.724","0.002","90","","101.045","0.002","90","","3456.9","0.6","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","diphenyl(4-pyridyl)methyl methacrylate","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C176 H152 N8 O16 -","8","2","TR1099","Gobius du Sart, Gerrit; Alberda van Ekenstein, Gert O. R.; Meetsma, Auke; Ten Brinke, Gerrit","Two new polymorphs of diphenyl(4-pyridyl)methyl methacrylate","Acta Crystallographica Section C","2004","60","11","o824","o826","10.1107/S0108270104024217","","","0.71073","MoKα","","0.1494","0.1052","","","0.2443","0.265","","","","","","1.462","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014595","8.4713","0.0004","8.2489","0.0004","8.0805","0.0004","90","","96.093","0.001","90","","561.47","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Butane-1,4-diamine zinc(II) hydrogen phosphite","","- C2 H7 N O3 P Zn -","- C2 H7 N O3 P Zn -","- C8 H28 N4 O12 P4 Zn4 -","4","1","TR1100","Ritchie, Lyndsey K.; Harrison, William T. A.","Butane-1,4-diamine zinc(II) hydrogen phosphite","Acta Crystallographica Section C","2004","60","12","m634","m636","10.1107/S0108270104024862","","","0.71073","MoKα","","0.026","0.0191","","","0.0478","0.0494","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014596","10.001","0.002","22.861","0.005","10.844","0.002","90","","103.57","0.03","90","","2410.1","0.9","200","3","200","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2,2'-bipyridine-κ^2^N,N')(oxalato-κ^2^O,O')cobalt(II) pentahydrate","","- C22 H26 Co N4 O9 -","- C22 H26 Co N4 O9 -","- C88 H104 Co4 N16 O36 -","4","1","TR1107","Šestan, Marijana; Giester, Gerald; Perić, Berislav","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) pentahydrate","Acta Crystallographica Section C","2004","60","11","m595","m597","10.1107/S0108270104025181","","","0.71073","MoKα","","0.0754","0.0403","","","0.1033","0.1366","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"9011389","23.8384","","11.0248","","16.9332","","90","","118.005","","90","","3929.18","","","","","","","","","","","","Synthetic","5","C 1 2/c 1","-C 2yc","15","","","Lasalite","- H40 Mg2 Na2 O48 V10 -","- H40 Mg2 Na2 O48 V10 -","- H160 Mg8 Na8 O192 V40 -","4","0.5","","Iida, A.; Ozeki, T.","Mg2Na2V10O28*20H2O and Mg3V10O28*28H2O","Acta Crystallographica, Section C","2004","60","","i43","i46","10.1107/S0108270104004676","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011390","10.4834","","10.7309","","21.2293","","90.751","","97.866","","103.663","","2296.24","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- H54.684 Mg3 O56 V10 -","- H54.684 Mg3 O56 V10 -","- H109.368 Mg6 O112 V20 -","2","1","","Iida, A.; Ozeki, T.","Mg2Na2V10O28*20H2O and Mg3V10O28*28H2O","Acta Crystallographica, Section C","2004","60","","i43","i46","10.1107/S0108270104004676","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""