# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T10:49:17+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 = 56 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
"1100907","10.7589","0.0009","17.8696","0.0017","22.667","0.0018","90","","90","","90","","4357.9","0.7","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acidd","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C204 H180 N12 O48 -","12","3","","Brady, Fiona; Gallagher, John F.","Intermolecular O-H...O hydrogen bonding in the three independent molecules of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acid","Acta Crystallographica, Section C","2000","56","","1407","1410","10.1107/S010827010001163X","","","0.7107","MoKα","","0.086","0.045","","","","0.116","","","","","","1.02","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100908","15.922","0.002","5.7331","0.0008","21.341","0.003","90","","91.097","0.011","90","","1947.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aqua-bis(trans-2-butenoate)- bis(pyridine)copper(II)","","- C18 H22 Cu N2 O5 -","- C18 H22 Cu N2 O5 -","- C72 H88 Cu4 N8 O20 -","4","0.5","","Baggio, Ricardo; Foxman, Bruce; Garland, Maria Teresa; Perec, Mireille; Shang, Wen","Aquabis(crotonato)bis(pyridine)copper(II)","Acta Crystallographica Section C","2000","56","11","e505","e506","10.1107/S0108270100013937","","","0.71073","MoKα","","0.041","0.031","","","","0.082","","","","","","1.068","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1100910","7.496","0.001","6.308","0.001","10.125","0.002","90","","100.11","0.01","90","","471.32","0.13","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Bismuth(V)iron(III) oxophosphate","Bismuth(V) iron(III) tris(phosphate) oxide","","- Bi0.4 Fe3 O13 P3 -","- Bi0.4 Fe3 O13 P3 -","- Bi0.8 Fe6 O26 P6 -","2","0.5","","Benabad, Aicha; Bakhous, Karima; Cherkaoui, Fatima; Holt, Elizabeth M.","Bismuth(V) iron(III) tris(phosphate) oxide","Acta Crystallographica, Section C","2000","56","","1292","1293","10.1107/S010827010000977X","","","0.71073","MoKα","","0.099","0.058","","","","0.128","","","","","","0.835","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100911","6.207","0.003","11.915","0.005","15.583","0.006","90","","90","","90","","1152.5","0.9","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","Sodium nitroprusside, deuterated","disodium pentacyanonitrosylferrate(III) bis(dideuterium oxide)","","- C5 D4 Fe N6 Na2 O3 -","- C5 D4 Fe N6 Na2 O3 -","- C20 D16 Fe4 N24 Na8 O12 -","4","0.5","","Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.","Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction","Acta Crystallographica, Section C","2000","56","","1289","1291","10.1107/S0108270100008763","","","0.71073","MoKα","","0.02","0.019","","","","0.051","","","","","","1.227","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1100912","6.124","0.002","11.837","0.005","15.547","0.006","90","","90","","90","","1127","0.7","11","1","11","2","","","","","","","","6","P n n m","-P 2 2n","58","Sodium nitroprusside, deuterated","disodium pentacyanonitrosylferrate(III) bis(dideuterium oxide)","","- C5 D4 Fe N6 Na2 O3 -","- C5 D4 Fe N6 Na2 O3 -","- C20 D16 Fe4 N24 Na8 O12 -","4","0.5","","Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.","Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction","Acta Crystallographica, Section C","2000","56","","1289","1291","10.1107/S0108270100008763","","","0.71073","MoKα","","0.025","0.02","","","","0.054","","","","","","1.081","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1100913","6.124","0.002","11.837","0.005","15.547","0.006","90","","90","","90","","1127","0.7","11","","15","","","","","","","","","7","P n n m","-P 2 2n","58","Sodium nitroprusside, deuterated","disodium pentacyanonitrosylferrate(III) bis(dideuterium oxide)","","- C5 H1.1 D2.9 Fe N6 Na2 O3 -","- C5 H1.102 D2.898 Fe N6 Na2 O3 -","- C20 H4.408 D11.592 Fe4 N24 Na8 O12 -","4","0.5","","Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.","Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction","Acta Crystallographica, Section C","2000","56","","1289","1291","10.1107/S0108270100008763","","neutron","","pulsedneutron","","","0.058","","","0.051","","","","3.75","","","","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100916","5.5462","0.0003","5.6028","0.0004","15.6365","0.0013","90","","90","","90","","485.9","0.06","292","1","","","","","","","","","","3","P b c m","-P 2c 2b","57","","silver niobate","","- Ag Nb O3 -","- Ag Nb O3 -","- Ag8 Nb8 O24 -","8","1","","Fabry, Jan; Zikmund, Zdenek; Kania, Antoni; Petricek, Vaclav","Structural study of AgNbO~3~ at room temperature","Acta Crystallographica, Section C","2000","56","","916","918","10.1107/S0108270100006806","","","0.71073","MoKα","","","0.034","","","","0.053","","","2.69","","","2.84","","","","has coordinates","134621","2020-10-21","18:00:00",""
"2010501","10.087","0.003","11.044","0.003","12.342","0.003","90","0.02","113.86","0.02","90","0.02","1257.4","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","nimonol","Nimonol","","- C28 H36 O5 -","- C28 H36 O5 -","- C56 H72 O10 -","2","1","BK1476","Kabaleeswaran, V.; Malathi, R.; Rajan, S.S.; Suresh, G.; Narashiman, N.S.","Nimonol and 6-oxonimonol","Acta Crystallographica Section C","2000","56","1","82","84","10.1107/S0108270199011609","","","1.5418","CuKα","","0.0645","0.0623","","","","0.1941","","","","","","1.153","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010502","10.805","0.001","12.71","0.002","17.538","0.002","90","0.01","90","0.01","90","0.01","2408.5","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-oxonimonol","6-oxonimonol","","- C28 H34 O5 -","- C28 H34 O5 -","- C112 H136 O20 -","4","1","BK1476","Kabaleeswaran, V.; Malathi, R.; Rajan, S.S.; Suresh, G.; Narashiman, N.S.","Nimonol and 6-oxonimonol","Acta Crystallographica Section C","2000","56","1","82","84","10.1107/S0108270199011609","","","1.5418","CuKα","","0.0492","0.0429","","","","0.1285","","","","","","0.8","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010503","9.728","0.002","8.414","0.002","11.674","0.002","90","","92.23","0.03","90","","954.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","α-haloketal, (1'R,4S,5S)-Dimethyl 2-(1'-bromoethyl)-2- (3"",4""-dimethoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate","","- C17 H21 Br O8 -","- C17 H21 Br O8 -","- C34 H42 Br2 O16 -","2","1","BK1479","Ferri, Pedro H.; Lariucci, Carlito; Homar, Leon I. B.; Santos, Raquel F.; Maia, Elaine R.; Santos, Lourivaldo S.; Vencato, Ivo","α-Haloketal (1'<i>R</i>,4<i>S</i>,5<i>S</i>)-dimethyl 2-(1'-bromoethyl)-2-(3,4-dimethoxyphenyl)-1,3-dioxolane-4,5-dicarboxylate","Acta Crystallographica Section C","2000","56","1","118","120","10.1107/S0108270199012962","","","0.71073","MoKα","","0.0924","0.035","","","","0.086","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010504","11.7643","0.0002","19.9965","0.0003","32.9889","0.0003","90","","90","","90","","7760.47","0.19","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","μ-(4,4'-Bipyridine)-N:N'-bis[bis(pyrrolidinedithiocarboxylato-S,S')zinc(II)]","","- C30 H40 N6 S8 Zn2 -","- C30 H40 N6 S8 Zn2 -","- C240 H320 N48 S64 Zn16 -","8","0.25","BK1483","Chen, Xiao-Feng; Liu, Shu-Hua; Zhu, Xu-Hui; Vittal, Jagadese J.; Tan, Goek-Kheng; You, Xiao-Zeng","μ-(4,4'-Bipyridine)-<i>N</i>:<i>N</i>'-bis[bis-(pyrrolidinedithiocarboxylato-<i>S</i>,<i>S</i>')zinc(II)]","Acta Crystallographica Section C","2000","56","1","42","43","10.1107/S0108270199012706","","","0.71073","MoKα","","0.061","0.046","","0.121","0.112","","","","1.078","1.12","1.12","","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010505","13.6494","0.0002","12.8573","0.0002","18.4995","0.0003","90","","103.977","0.001","90","","3150.44","0.09","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[m-1,2(h^5^)-1,3-dicyclopentadienyl-1,1,3,3-tetramethyldisiloxanyl] bis[dichloro(h^5^-cyclopentadienyl)titanium] dichloromethane solvate","","- C25 H32 Cl6 O Si2 Ti2 -","- C25 H32 Cl6 O Si2 Ti2 -","- C100 H128 Cl24 O4 Si8 Ti8 -","4","1","BK1495","Grimmond, Brian J.; Corey, Joyce Y.; Rath, Nigam P.","[(η^5^-C~5~<i>R</i>~5~)TiCl~2~(η^5^-C~5~H~4~SiMe~2~)]~2~O·<i>n</i>CH~2~Cl~2~ (<i>R</i> = H, Me; <i>n</i> = 1, 0)","Acta Crystallographica Section C","2000","56","1","53","55","10.1107/S0108270199012718","","","0.71073","MoKα","","0.146","0.07","","","","0.179","","","","","","1.05","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010506","8.1319","0.0001","22.2503","0.0003","21.697","0.0003","90","","97.97","0.01","90","","3887.87","0.13","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[m-1,2(h^5^)-1,3-dicyclopentadienyl-1,1,3,3-tetramethyldisiloxanyl]bis [dichloro(h^5^-pentamethylcyclopentadienyl)titanium]","","- C34 H50 Cl4 O Si2 Ti2 -","- C34 H50 Cl4 O Si2 Ti2 -","- C136 H200 Cl16 O4 Si8 Ti8 -","4","1","BK1495","Grimmond, Brian J.; Corey, Joyce Y.; Rath, Nigam P.","[(η^5^-C~5~<i>R</i>~5~)TiCl~2~(η^5^-C~5~H~4~SiMe~2~)]~2~O·<i>n</i>CH~2~Cl~2~ (<i>R</i> = H, Me; <i>n</i> = 1, 0)","Acta Crystallographica Section C","2000","56","1","53","55","10.1107/S0108270199012718","","","0.71073","MoKα","","0.085","0.051","","","","0.122","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010507","9.3991","0.0007","9.7733","0.0004","10.5899","0.0007","90.376","0.004","71.465","0.005","104.463","0.005","890.29","0.1","293","","293","","","","","","","","","2","P -1","-P 1","2","9-Phenyl-3,4,4a,9a-tetrahydrotriptycene","cis-9-Phenyl-3,4,4a,9,9a,10-hexahydro-9,10[1',2']benzenoanthracene","","- C26 H22 -","- C26 H22 -","- C52 H44 -","2","1","BK1498","Duan, Shaoming; Baker, Ronald J.; Masnovi, John","9-Phenyl-3,4,4a,9a-tetrahydrotriptycene and 9-phenyl-1,2,3,4,4a,9a-hexahydrotriptycene","Acta Crystallographica Section C","2000","56","1","99","101","10.1107/S0108270199012056","","","0.7093","MolybdenumKα","","0.042","0.042","","0.05","","0.05","","","","","","2.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010508","9.2213","0.0006","9.8777","0.001","10.739","0.0008","90.738","0.008","107.829","0.006","104.052","0.007","899.28","0.14","293","","293","","","","","","","","","2","P -1","-P 1","2","9-phenyl-1,2,3,4,4a,9a-hexahydrotriptycene","cis-9-Phenyl-1,2,3,4,4a,9,9a,10-octahydro-9,10[1',2']benzenoanthracene","","- C26 H24 -","- C26 H24 -","- C52 H48 -","2","1","BK1498","Duan, Shaoming; Baker, Ronald J.; Masnovi, John","9-Phenyl-3,4,4a,9a-tetrahydrotriptycene and 9-phenyl-1,2,3,4,4a,9a-hexahydrotriptycene","Acta Crystallographica Section C","2000","56","1","99","101","10.1107/S0108270199012056","","","0.7093","MolybdenumKα","","0.042","0.041","","0.044","","0.044","","","","","","1.94","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010509","11.165","0.002","7.605","0.002","14.167","0.003","90","","102.02","0.03","90","","1176.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 N8 O6 S2 Zn -","- C2 H10 N8 O6 S2 Zn -","- C8 H40 N32 O24 S8 Zn4 -","4","0.5","BK1501","Tong, Ye-Xiang; Su, Cheng-Yong; Zhang, Ze-Fu; Kang, Bei-Sheng; Yu, Xiao-Lan; Chen, Xiao-Min","Bis(thiosemicarbazide-<i>S</i>,<i>N</i>)zinc(II) dinitrate","Acta Crystallographica Section C","2000","56","1","44","45","10.1107/S0108270199012974","","","0.71073","MoKα","","0.0364","0.0287","","","","0.0736","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010510","11.377","0.0008","12.518","0.001","15.4837","0.0012","69.925","0.003","72.338","0.003","66.953","0.003","1869.1","0.3","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","7-[Triphenylphosphine(diphenylphosphino)gold(I)-P]-8-methyl-7,8- dicarba-nido-undecaborate(-1) Dichloromethane hemisolvate","","- C33.5 H39 Au B9 Cl P2 -","- C33.5 H39 Au B9 Cl P2 -","- C67 H78 Au2 B18 Cl2 P4 -","2","1","BM1352","Crespo, Olga; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio","7-{Diphenyl[(triphenylphosphine)aurio]phosphine(1+)-<i>P</i>}-8-methyl-7,8-dicarba-<i>nido</i>-undecaborate(1‒) dichloromethane hemisolvate","Acta Crystallographica Section C","2000","56","1","46","47","10.1107/S0108270199014328","","","0.71073","MoKα","","0.023","0.02","","","","0.048","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2010511","10.6943","0.0016","11.725","0.0018","16.374","0.003","90","","115.992","0.01","90","","1845.5","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(tetrahydrothiophene)gold(I) (ortho-benzodisulfonyl)amide","","- C14 H20 Au N O4 S4 -","- C14 H20 Au N O4 S4 -","- C56 H80 Au4 N4 O16 S16 -","4","0.5","BM1354","Friedrichs, Steffi; Jones, Peter G.","Polysulfonylamines. CXX. Bis(tetrahydrothiophene-<i>S</i>)gold(I) benzene-1,2-disulfonimidate","Acta Crystallographica Section C","2000","56","1","56","57","10.1107/S0108270199013086","","","0.71073","MoKα","","0.044","0.029","","","","0.044","","","","","","0.843","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010512","16.317","0.001","8.047","0.001","16.802","0.001","90","","96.97","0.01","90","","2189.8","0.3","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Cl4 N5 O6 P3 -","- C13 H8 Cl4 N5 O6 P3 -","- C52 H32 Cl16 N20 O24 P12 -","4","1","BM1373","Hökelek, Tuncer; Akduran, Nurcan; Yıldız, Mustafa; Dal, Hakan; Kılıç, Zeynel","2,4-[2,2'-Methylenebis(4-nitrophenoxy)]-2,4,6,6-tetrachlorocyclo-2λ^5^,4λ^5^,6λ^5^-triphosphazatriene (ansa)","Acta Crystallographica Section C","2000","56","1","90","92","10.1107/S0108270199012986","","","1.54184","CuKα","","","0.045","","","","0.052","","","","","","0.85","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010513","6.459","0.0013","15.662","0.003","12.276","0.003","90","","95.51","0.03","90","","1236.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C52 H48 N8 O4 S4 -","4","1","BM1375","Nesterov, Vladimir N.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.","<i>trans</i>,<i>trans</i>-2-Cyano-5-(4-methoxyphenyl)penta-2,4-dienethioamide","Acta Crystallographica Section C","2000","56","1","88","89","10.1107/S0108270199012998","","","0.71073","MoKα","","0.167","0.076","","0.306","","0.201","","","1.098","","","1.334","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010514","5.6325","0.0008","5.6325","0.0008","8.045","0.002","90","","90","","120","","221.04","0.07","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Al2 K2 O7 Sb2 -","- Al2 K2 O7 Sb2 -","- Al2 K2 O7 Sb2 -","1","0.0833333","","Hirschle, Christian; Röhr, Caroline","Potassium oxoaluminate antimonate(III), K~2~[Al~2~Sb~2~O~7~]","Acta Crystallographica, Section C","2000","56","","05","06","10.1107/S0108270199012184","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2010515","11.982","0.002","18.613","0.004","15.078","0.003","90","","102.79","0.03","90","","3279.3","1.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Rb4 Te16 Zr3 -","- Rb4 Te16 Zr3 -","- Rb16 Te64 Zr12 -","4","0.5","","Anderson, Ashley B.; Wang, Ru-Ji; Li, Jing","Rb~4~Zr~3~Te~16~, a one-dimensional zirconium telluride synthesized from molten salt","Acta Crystallographica, Section C","2000","56","","02","04","10.1107/S0108270199011956","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010516","13.864","0.001","13.339","0.001","16.464","0.001","90","","90","","90","","3044.7","0.4","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Mo N2 O4 -","- C15 H12 Mo N2 O4 -","- C120 H96 Mo8 N16 O32 -","8","1","DA1090","Nanty, Dominique; Laurent, Marc; Khan, Masood A.; Ashby, Michael T.","<i>fac</i>-Tricarbonyl[bis(2-pyridylmethyl) ether-<i>N</i>,<i>O</i>,<i>N</i>']molybdenum(0)","Acta Crystallographica Section C","2000","56","1","35","36","10.1107/S0108270199012123","","","0.71073","MoKα","","0.0342","0.0243","","0.0681","","0.0606","","","1.067","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010517","7.8148","0.0001","10.9332","0.0002","15.4893","0.0003","90","","99.002","0.001","90","","1307.12","0.04","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-bis(1,2-Diaminobenzene-N)bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato-O,O')iron(II)","","- C22 H18 F12 Fe N4 O4 -","- C22 H18 F12 Fe N4 O4 -","- C44 H36 F24 Fe2 N8 O8 -","2","0.5","DA1091","Dickman, Michael H.","Bis(1,2-diaminobenzene-<i>N</i>)bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-<i>O</i>,<i>O</i>')iron(II), -cobalt(II) and -nickel(II) at low temperature","Acta Crystallographica Section C","2000","56","1","58","60","10.1107/S0108270199013487","","","0.71073","MoKα","","0.045","0.04","","","","0.107","","","","","","1.002","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010518","7.769","","10.9013","0.0001","15.4431","0.0001","90","","99.288","0.001","90","","1290.76","0.015","158","2","158","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-bis(1,2-Diaminobenzene-N)bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato-O,O')cobalt(II)","","- C22 H18 Co F12 N4 O4 -","- C22 H18 Co F12 N4 O4 -","- C44 H36 Co2 F24 N8 O8 -","2","0.5","DA1091","Dickman, Michael H.","Bis(1,2-diaminobenzene-<i>N</i>)bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-<i>O</i>,<i>O</i>')iron(II), -cobalt(II) and -nickel(II) at low temperature","Acta Crystallographica Section C","2000","56","1","58","60","10.1107/S0108270199013487","","","0.71073","MoKα","","0.063","0.045","","","","0.137","","","","","","1.005","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010519","7.7597","0.0001","10.9286","0.0001","15.3948","0.0003","90","","98.813","0.001","90","","1290.11","0.03","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-bis(1,2-Diaminobenzene-N)bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato-O,O')nickel(II)","","- C22 H18 F12 N4 Ni O4 -","- C22 H18 F12 N4 Ni O4 -","- C44 H36 F24 N8 Ni2 O8 -","2","0.5","DA1091","Dickman, Michael H.","Bis(1,2-diaminobenzene-<i>N</i>)bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-<i>O</i>,<i>O</i>')iron(II), -cobalt(II) and -nickel(II) at low temperature","Acta Crystallographica Section C","2000","56","1","58","60","10.1107/S0108270199013487","","","0.71073","MoKα","","0.045","0.04","","","","0.112","","","","","","1.011","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010520","11.117","0.003","11.1824","0.0011","11.3444","0.001","70.906","0.008","83.953","0.012","67.355","0.012","1229.6","0.4","290","2","290","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H30 N6 -","- C29 H30 N6 -","- C58 H60 N12 -","2","1","FG1556","Govindasamy, L.; Velmurugan, D.; Raghukumar, V.; Il-Hawn Suh; Ramakrishnan, V.T.","5-Amino-4-(4-diethylaminophenyl)-2-phenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile","Acta Crystallographica Section C","2000","56","1","80","81","10.1107/S0108270199009257","","","0.71069","MoKα","","0.105","0.06","","","","0.18","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010521","9.366","0.003","19.875","0.001","8.204","0.009","90","","90","","90","","1527.2","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(Z)-3-benzylidene-N-phenylisoindolin-1-one","(Z)-3-benzylidene-N-phenylisoindolin-1-one","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","FR1206","Mukherjee, Alok K.; Guha, Subhadra; Khan, M. Wahab; Kundu, Nitya G.; Helliwell, Madeleine","Two (<i>Z</i>)-<i>N</i>-aryl-3-benzylideneisoindolin-1-ones","Acta Crystallographica Section C","2000","56","1","85","87","10.1107/S0108270199012445","","","1.5418","CuKα","","0.0517","0.0436","","0.1105","","0.1058","","","1.086","","","1.116","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010522","8.577","0.006","10.542","0.004","18.272","0.004","90","","98.34","0.04","90","","1634.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Z)-N-(p-anisyl)-3-benzylidene isoindolin-1-one","(Z)-N-(p-anisyl)-3-benzylidene isoindolin-1-one","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","FR1206","Mukherjee, Alok K.; Guha, Subhadra; Khan, M. Wahab; Kundu, Nitya G.; Helliwell, Madeleine","Two (<i>Z</i>)-<i>N</i>-aryl-3-benzylideneisoindolin-1-ones","Acta Crystallographica Section C","2000","56","1","85","87","10.1107/S0108270199012445","","","1.5418","CuKα","","0.0664","0.0483","","0.1097","","0.1029","","","1.027","","","1.095","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010523","7.7564","0.0001","22.3441","0.0005","12.5552","0.0002","90","","97.766","0.001","90","","2155.98","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N3 O5 -","- C23 H19 N3 O5 -","- C92 H76 N12 O20 -","4","1","FR1219","Işık, Şamil; Öztürk, Sema; Fun, Hoong-Kun; Ag̃ar, Erbil; Şaşmaz, Selami","5'-Allyl-2'-benzoyloxy-3'-methoxy-4-nitroazobenzene","Acta Crystallographica Section C","2000","56","1","95","96","10.1107/S0108270199012457","","","0.71073","MoKα","","0.1922","0.0655","","","","0.1971","","","","","","0.958","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010524","8.177","0.004","8.517","0.004","10.297","0.004","105.84","0.03","104.42","0.03","111.16","0.03","593.1","0.5","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H13 Cl2 N O2 Pt S -","- C6 H13 Cl2 N O2 Pt S -","- C12 H26 Cl4 N2 O4 Pt2 S2 -","2","1","FR1238","Dyksterhouse, R. Max; Howell, Bob A.; Squattrito, Philip J.","<i>cis</i>- and <i>trans</i>-Dichloro(3,6-dihydro-1,2-oxazine-<i>N</i>)(dimethyl sulfoxide-<i>S</i>)-platinum(II)","Acta Crystallographica Section C","2000","56","1","64","66","10.1107/S0108270199013803","","","0.7107","MoKα","","","0.026","","","","0.059","","","","","","2.23","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010525","16.532","0.003","13.868","0.002","10.182","0.004","90","","90","","90","","2334.4","1.1","296","","296","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H13 Cl2 N O2 Pt S -","- C6 H13 Cl2 N O2 Pt S -","- C48 H104 Cl16 N8 O16 Pt8 S8 -","8","1","FR1238","Dyksterhouse, R. Max; Howell, Bob A.; Squattrito, Philip J.","<i>cis</i>- and <i>trans</i>-Dichloro(3,6-dihydro-1,2-oxazine-<i>N</i>)(dimethyl sulfoxide-<i>S</i>)-platinum(II)","Acta Crystallographica Section C","2000","56","1","64","66","10.1107/S0108270199013803","","","0.7107","MoKα","","","0.032","","","","0.074","","","","","","1.71","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010526","12.5745","0.0001","12.8844","0.0001","13.0438","0.0001","73.967","0.001","66.242","0.001","62.598","0.001","1706.43","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(Lactato-O,O')bis(triphenylphosphine-P)silver(I)","","- C39 H35 Ag O3 P2 -","- C39 H35 Ag O3 P2 -","- C78 H70 Ag2 O6 P4 -","2","1","GD1054","Hanna, John V.; Ng, Seik Weng","Disorder in the lactato group of (lactato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I) corroborated by ^31^P two-dimensional CPCOSY NMR","Acta Crystallographica Section C","2000","56","1","24","25","10.1107/S0108270199012202","","","0.71073","MoKα","","0.039","0.035","","","","0.107","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010527","7.9436","0.0006","15.144","0.0011","16.3075","0.0011","90","","102.208","0.0013","90","","1917.4","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Isopropyl 1,4-dihydro-2,6-dimethyl-3-nitro-4- (6-methyl-2-pyridyl)-5-pyridinecarboxylate","","- C20 H24 N3 O4 -","- C20 H24 N3 O4 -","- C80 H96 N12 O16 -","4","1","GD1058","Parrish, Jonathan C.; Shan, Rudong; Knaus, Edward E.; James, Michael N. G.","Racemic isopropyl 1,4-dihydro-2,6-dimethyl-4-(6-methyl-2-pyridyl)-3-nitropyridine-5-carboxylate hemibenzene solvate","Acta Crystallographica Section C","2000","56","1","107","109","10.1107/S0108270199013049","","","0.71073","MoKα","","0.0726","0.045","","","","0.126","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010528","13.245","0.01","21.984","0.01","30.732","0.01","90","","90","","90","","8948","8","122","0.2","122","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Putidin","S-β-hydroxydecanoyl-D-Leu-D-Asp-D-allo-Thr-D-Leu-D-Leu-D-Ser-L-Leu- D-Gln-L-Leu-L-Ile-L-Glu:ethylacetate:dihydrate","","- C71 H127 N12 O24 -","- C71 H127 N12 O24 -","- C284 H508 N48 O96 -","4","1","GD1059","Henriksen, Anette; Anthoni, Uffe; Nielsen, Tommy H.; Sørensen, Jan; Christophersen, Carsten; Gajhede, Michael","Cyclic lipoundecapeptide tensin from <i>Pseudomonas fluorescens</i> strain 96.578","Acta Crystallographica Section C","2000","56","1","113","115","10.1107/S0108270199013414","","","1.5418","CuKα","","0.0975","0.0704","","","","0.205","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010529","13.014","0.0009","16.399","0.0015","20.726","0.003","90","0.008","90","0.01","90","0.009","4423.3","0.8","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","trans-[hydrotetrakis(trimethylphosphine)Rhodiumchloride/bromide] [(tetrabromobenzene-1,2-diolato)borate] dichloromethane solvate","","- C25 H39 B Br8.27 Cl2.73 O4 P4 Rh -","- C25 H39 B Br8.26 Cl2.74 O4 P4 Rh -","- C100 H156 B4 Br33.04 Cl10.96 O16 P16 Rh4 -","4","1","GD1060","Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Robins, Edward G.","Compositional disorder in <i>trans</i>-[RhBr~0.26~Cl~0.74~H(PMe~3~)~4~][B(1,2-O~2~C~6~Br~4~)]·CH~2~Cl~2~","Acta Crystallographica Section C","2000","56","1","50","52","10.1107/S0108270199013554","","","0.71073","MoKα","","0.0703","0.0486","","0.1184","","0.1126","","","1.031","","","1.154","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010530","12.38","0.002","12.38","","12.018","0.003","90","","90","","90","","1841.9","0.5","295","","295","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C14 H32 Al2 N2 -","- C14 H32 Al2 N2 -","- C56 H128 Al8 N8 -","4","0.5","GD1061","Craig, Fiona J.; Kennedy, Alan R.; Mulvey, Robert E.","Bis[(μ-cyclopentylamino-<i>N</i>:<i>N</i>)dimethylaluminium(III)]","Acta Crystallographica Section C","2000","56","1","31","32","10.1107/S0108270199012639","","","0.71069","MoKα","","0.124","0.046","","0.0548","0.046","","","","","1.408","1.408","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010531","16.613","0.003","10.557","0.002","11.259","0.002","90","","90","","90","","1974.6","0.6","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","0.5","GD1069","Ejsmont, Krzysztof; Kyzioł, Janusz; Nowakowska, Ewa; Zaleski, Jacek","4,4,4',4',7,7'-Hexamethyl-2,2'-spirobichroman","Acta Crystallographica Section C","2000","56","1","93","94","10.1107/S0108270199013190","","","0.71073","MoKα","","0.075","0.046","","","","0.131","","","","","","1.156","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010532","9.343","0.004","21.922","0.008","6.447","0.003","90","","90","","90","","1320.5","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Ethyl-4'-thio-2'-deoxyuridine sulfoxide monohydrate","","- C11 H18 N2 O6 S -","- C11 H18 N2 O6 S -","- C44 H72 N8 O24 S4 -","4","1","HA1268","Sun, Ming; Macculloch, Alasdair C.; Hamor, Thomas A.; Walker, Richard T.","5-Ethyl-2'-deoxy-4'-thiouridine (<i>R</i>)-<i>S</i>-oxide monohydrate","Acta Crystallographica Section C","2000","56","1","116","117","10.1107/S0108270199012548","","","0.71073","MoKα","","0.032","0.031","","0.078","","0.077","","","1.072","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010533","9.5684","0.0002","11.7898","0.0002","24.294","0.001","90","","90.684","0.001","90","","2740.4","0.13","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(4,11-dibenzyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane-κ^4^N)copper(I) hexafluorophosphate","","- C26 H38 Cu F6 N4 P -","- C26 H38 Cu F6 N4 P -","- C104 H152 Cu4 F24 N16 P4 -","4","1","HA1270","Hubin, Timothy J.; Alcock, Nathaniel W.; Busch, Daryle H.","Copper(I) and copper(II) complexes of an ethylene cross-bridged cyclam","Acta Crystallographica Section C","2000","56","1","37","39","10.1107/S010827019901255X","","","0.71073","MoKα","","0.038","0.03","","","","0.078","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010534","9.9695","0.0004","10.561","0.0005","17.7607","0.0008","101.236","0.001","101.105","0.001","109.157","0.001","1664.83","0.13","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","[acetonitrile(4,11-dibenzyl-1,4,8,11- tetraazabicyclo[6.6.2]hexadecane-κ^4^N)]copper(II) bis(hexafluorophosphate)","","- C28 H41 Cu F12 N5 P2 -","- C28 H41 Cu F12 N5 P2 -","- C56 H82 Cu2 F24 N10 P4 -","2","1","HA1270","Hubin, Timothy J.; Alcock, Nathaniel W.; Busch, Daryle H.","Copper(I) and copper(II) complexes of an ethylene cross-bridged cyclam","Acta Crystallographica Section C","2000","56","1","37","39","10.1107/S010827019901255X","","","0.71073","MoKα","","0.064","0.055","","","","0.146","","","","","","1.051","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010535","13.9929","0.0011","19.6661","0.0011","24.89","0.003","90","","90","","90","","6849.4","1.1","200","1","200","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 Cd Cl N5 O12 -","- C26 H50 Cd Cl N5 O12 -","- C208 H400 Cd8 Cl8 N40 O96 -","8","2","JA1006","Davies, Philip. J.; Lincoln, Stephen F.; Smith, Christopher B.; Taylor, Max R.; Wainwright, Kevin P.; Wallwork, Kia S.","{Δ-1,4,7,10-Tetrakis[(<i>S</i>)-2-hydroxypropyl-κ<i>O</i>]-1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>}cadmium(II) 4-nitrophenolate perchlorate hydrate","Acta Crystallographica Section C","2000","56","1","28","30","10.1107/S0108270199012391","","","0.71073","Mo_Kα","","0.073","0.041","","0.077","","0.07","","","1.471","1.403","1.403","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010536","25.7526","0.0017","4.2348","0.0003","11.2966","0.0007","90","","90","","90","","1231.97","0.14","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","11-Methylpyrido[2,3-b]acridine-5,12-dione","","- C17 H10 N2 O2 -","- C17 H10 N2 O2 -","- C68 H40 N8 O8 -","4","1","JA1007","Copp, Brent R.; Lindsay, Brent S.; Oliver, Allen G.; Rickard, Clifton E. F.","11-Methylpyrido[2,3-<i>b</i>]acridine-5,12-dione","Acta Crystallographica Section C","2000","56","1","102","103","10.1107/S0108270199013578","","","0.71073","MoKα","","0.061","0.054","","","","0.141","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010537","15.856","0.002","15.856","0.002","29.753","0.005","90","","90","","90","","7480.3","1.8","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","Oxovanadiumacetate","tetraphenylphosphonium μ~4~-nitrato-κ^4^O-cyclo- tetrakis(μ-acetato-κO:κO')tetra-μ-oxo-tetrakis[oxovanadium(V)]","","- C32 H32 N O19 P V4 -","- C32 H32 N O19 P V4 -","- C256 H256 N8 O152 P8 V32 -","8","0.5","JZ1345","Wulff-Molder, Dirk; Meisel, Manfred","The cyclic vanadylacetate (C~24~H~20~P)[V~4~O~8~(C~2~H~3~O~2~)~4~(NO~3~)]","Acta Crystallographica Section C","2000","56","1","33","34","10.1107/S0108270199012214","","","0.71073","MoKα","","0.064","0.042","","0.112","0.1","","","","1.015","1.126","1.126","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010538","8.9875","0.0001","15.4363","0.0001","20.0845","0.0002","90","","90","","90","","2786.4","0.05","173","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(η^5^-isopropyl-tetramethyl-cyclopentadienyl)- (tetrahydroborato-κ^3^H,H',H'')-(tetrahydrofuran)-samarium(III)","","- C28 H50 B O Sm -","- C28 H50 B O Sm -","- C112 H200 B4 O4 Sm4 -","4","1","JZ1369","Schumann, Herbert; Keitsch, Markus R.; Mühle, Stefan H.","Bis(η^5^-isopropyltetramethylcyclopentadienyl)(tetrahydroborato-κ^3^<i>H</i>,<i>H</i>',<i>H</i>'')(tetrahydrofuran-<i>O</i>)-samarium(III): a lanthanidocene complex with a tridentate tetrahydroborato ligand","Acta Crystallographica Section C","2000","56","1","48","49","10.1107/S0108270199013001","","","0.71073","MoKα","","0.039","0.0309","","","","0.0503","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010539","17.4144","0.0016","10.6767","0.001","15.2187","0.0014","90","","90","","90","","2829.6","0.5","168","2","168","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","2,2'-bis(4,4-diphenyl-2,5-cyclohexadienone)diselenide","2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone)","","- C36 H26 O2 Se2 -","- C36 H26 O2 Se2 -","- C144 H104 O8 Se8 -","4","0.5","JZ1370","Senthil Kumar, V. S.; Nangia, Ashwini; 2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone)","2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone)","Acta Crystallographica Section C","2000","56","1","123","124","10.1107/S0108270199012743","","","0.71073","MoKα","","0.038","0.031","","0.086","0.081","","","","1.06","1.093","1.093","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010540","9.239","0.002","15.643","0.003","13.859","0.003","90","","102.37","0.02","90","","1956.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[bis(2-amino-1,3-benzothiazole-N^3^)(μ-succinato-O,O',O'',O''')copper(II)]","","- C36 H32 Cu2 N8 O8 S4 -","- C36 H32 Cu2 N8 O8 S4 -","- C72 H64 Cu4 N16 O16 S8 -","2","0.5","KA1341","Sieroń, Lesław; Bukowska-Strzyżewska, Maria","Bis(μ-succinato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis[bis(2-amino-1,3-benzothiazole-<i>N</i>^3^)copper(II)]","Acta Crystallographica Section C","2000","56","1","19","21","10.1107/S0108270199013013","","","0.71073","MoKα","","0.067","0.041","","","","0.09","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010541","10.031","0.003","8.2799","0.0017","10.968","0.002","90","","99.274","0.002","90","","899","0.4","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Ammonium hydrogen squarate‒water (3/2)","","- C4 H6.33 N O4.67 -","- C4 H6.33333 N O4.66667 -","- C24 H38 N6 O28 -","6","1.5","LN1082","Kolev, Tsonko; Glavcheva, Zornitza; Petrova, Rosica; Angelova, Olyana","Ammonium hydrogen squarate‒water (3/2)","Acta Crystallographica Section C","2000","56","1","110","112","10.1107/S0108270199009415","","","0.71073","MoKα","","0.089","0.053","","","","0.146","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010542","6.398","0.0004","9.7142","0.0005","35.119","0.004","90","","90","","90","","2182.7","0.3","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β-acetoxy-5α,6β-dihydroxy-bisnorcholanic acid 22\ρigtharrow16 lactone","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","LN1086","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Pomés Hernández, Ramón; Mola, José L.; Serafín Pérez, Carlos; Suárez García, Leticia; Iglesias, Martín A.; Coll Manchado, Francisco","3β-Acetoxy-5α,6β-dihydroxybisnorcholanic acid 22→16 lactone","Acta Crystallographica Section C","2000","56","1","78","79","10.1107/S0108270199011300","","","1.54184","CuKα","","0.0485","0.0457","","0.1329","","0.1329","","","1.051","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010543","5.1813","0.0011","9.2173","0.0018","10.6278","0.0017","87.878","0.014","74.948","0.016","86.653","0.017","489.18","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","","L-argininium fluoride hydrogen fluoride","","- C6 H16 F2 N4 O2 -","- C6 H16 F2 N4 O2 -","- C12 H32 F4 N8 O4 -","2","2","LN1087","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.","Very short F—H···F hydrogen bond in <small>L</small>-argininium fluoride hydrogen fluoride","Acta Crystallographica Section C","2000","56","1","104","106","10.1107/S0108270199011981","","","0.71073","MoKα","","0.049","0.034","","","","0.094","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010544","8.571","0.0007","6.4665","0.0003","9.8502","0.0008","90","","106.783","0.003","90","","522.69","0.07","291","1","291","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H20 O2 -","- C10 H20 O2 -","- C20 H40 O4 -","2","1","NA1422","Körner, Ferdinand; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","({-})-(1<i>R</i>,2<i>S</i>,2'<i>R</i>,5<i>R</i>)-2-(1-Hydroxyprop-2-yl)-5-methylcyclohexanol","Acta Crystallographica Section C","2000","56","1","74","75","10.1107/S0108270199014122","","","0.71069","MoKα","","0.085","0.05","","","","0.187","","","","","","0.721","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010545","7.5296","0.0011","13.7209","0.0019","11.7587","0.0016","90","","90","","90","","1214.8","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","bis[chloro(1,3-imidazolium-2-thiolato-S)]mercury(II)","","- C6 H8 Cl2 Hg N4 S2 -","- C6 H8 Cl2 Hg N4 S2 -","- C24 H32 Cl8 Hg4 N16 S8 -","4","1","NA1432","Pavlović, Gordana; Popović, Zora; Soldin, Željka; Matković-Čalogović, Dubravka","A 1:2 complex of mercury(II) chloride with 1,3-imidazole-2-thione","Acta Crystallographica Section C","2000","56","1","61","63","10.1107/S0108270199013736","","","0.71073","MoKα","","0.079","0.03","","","","0.064","","","","","","0.897","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010546","8.3695","0.0011","8.5208","0.0011","11.7567","0.0016","101.532","0.002","97.517","0.002","109.958","0.003","753.91","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Cl2 Fe N3 O3 -","- C13 H12 Cl2 Fe N3 O3 -","- C26 H24 Cl4 Fe2 N6 O6 -","2","1","OA1093","Kajiwara, Takashi; Ito, Tasuku","[Fe(C~12~H~8~N~3~O~2~)Cl~2~(<i>R</i>OH)], with <i>R</i> = Me and Et","Acta Crystallographica Section C","2000","56","1","22","23","10.1107/S010827019901272X","","","0.71073","MoKα","","0.048","0.035","","","","0.09","","","","","","0.99","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010547","8.5609","0.0006","8.5998","0.0006","12.0245","0.0009","99.744","0.001","99.944","0.001","110.483","0.001","791.13","0.1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl2 Fe N3 O3 -","- C14 H14 Cl2 Fe N3 O3 -","- C28 H28 Cl4 Fe2 N6 O6 -","2","1","OA1093","Kajiwara, Takashi; Ito, Tasuku","[Fe(C~12~H~8~N~3~O~2~)Cl~2~(<i>R</i>OH)], with <i>R</i> = Me and Et","Acta Crystallographica Section C","2000","56","1","22","23","10.1107/S010827019901272X","","","0.71073","MoKα","","0.033","0.028","","","","0.075","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010553","11.392","0.001","18.508","0.002","10.851","0.001","91.87","0.01","102.79","0.01","76.82","0.01","2171.9","0.4","299","","","","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ-trimethylsilylacetato-O:O')di(pyridine-N)dicopper(II)","","- C30 H54 Cu2 N2 O8 Si4 -","- C30 H54 Cu2 N2 O8 Si4 -","- C60 H108 Cu4 N4 O16 Si8 -","2","1","OA1095","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) trimethylsilylacetate adducts with pyridine, 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric copper(II) trimethylsilylacetate","Acta Crystallographica Section C","2000","56","1","12","16","10.1107/S0108270199012147","","","0.71073","MoKα","","","0.068","","","","0.053","","","","","","1.34","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010554","10.874","0.002","11.508","0.002","10.33","0.002","104.26","0.02","109.1","0.02","74.91","0.02","1160.9","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ-trimethylsilylacetato-O:O')di(2-methylpyridine-N)dicopper(II)","","- C32 H58 Cu2 N2 O8 Si4 -","- C32 H58 Cu2 N2 O8 Si4 -","- C32 H58 Cu2 N2 O8 Si4 -","1","0.5","OA1095","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) trimethylsilylacetate adducts with pyridine, 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric copper(II) trimethylsilylacetate","Acta Crystallographica Section C","2000","56","1","12","16","10.1107/S0108270199012147","","","0.71073","MoKα","","","0.051","","","","0.079","","","","","","1.39","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010555","11.148","0.003","11.755","0.001","10.563","0.003","110.91","0.01","117.7","0.02","84.23","0.02","1141.3","0.5","297","","","","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ-trimethylsilylacetato-O:O')di(3-methylpyridine-N)dicopper(II)","","- C32 H58 Cu2 N2 O8 Si4 -","- C32 H58 Cu2 N2 O8 Si4 -","- C32 H58 Cu2 N2 O8 Si4 -","1","0.5","OA1095","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) trimethylsilylacetate adducts with pyridine, 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric copper(II) trimethylsilylacetate","Acta Crystallographica Section C","2000","56","1","12","16","10.1107/S0108270199012147","","","0.71073","MoKα","","","0.064","","","","0.054","","","","","","1.23","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010556","11.298","0.002","11.495","0.003","10.261","0.003","104.03","0.02","110.1","0.02","76.99","0.02","1199.3","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ-trimethylsilylacetato-O:O')di(quinoline-N)dicopper(II)","","- C38 H58 Cu2 N2 O8 Si4 -","- C38 H58 Cu2 N2 O8 Si4 -","- C38 H58 Cu2 N2 O8 Si4 -","1","0.5","OA1095","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) trimethylsilylacetate adducts with pyridine, 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric copper(II) trimethylsilylacetate","Acta Crystallographica Section C","2000","56","1","12","16","10.1107/S0108270199012147","","","0.71073","MoKα","","","0.048","","","","0.069","","","","","","1.18","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010557","10.288","0.006","24.692","0.005","13.116","0.005","90","","97.71","0.04","90","","3302","2","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","catena-poly[tetrakis(μ-trimethylsilylacetato-O:O')dicopper(II)]","","- C20 H44 Cu2 O8 Si4 -","- C20 H44 Cu2 O8 Si4 -","- C80 H176 Cu8 O32 Si16 -","4","1","OA1095","Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","Dimeric copper(II) trimethylsilylacetate adducts with pyridine, 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric copper(II) trimethylsilylacetate","Acta Crystallographica Section C","2000","56","1","12","16","10.1107/S0108270199012147","","","0.71073","MoKα","","","0.068","","","","0.0999","","","","","","1.484","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010558","9.105","0.002","35.679","0.007","6.784","0.0014","90","","99.28","0.03","90","","2175","0.8","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(Dodecylthio)phenanthrene","","- C26 H34 S -","- C26 H34 S -","- C104 H136 S4 -","4","1","OS1072","Kansikas, Jarno; Sipilä, Kaija","Two 9-alkylthiophenanthrenes at 193K (alkyl = dodecyl and tetradecyl)","Acta Crystallographica Section C","2000","56","1","69","71","10.1107/S0108270199012871","","","1.5418","CuKα","","0.0655","0.0493","","0.1444","","0.1183","","","1.102","","","1.136","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010559","9.1","0.0014","38.696","0.002","6.804","0.008","90","0.03","99.67","0.03","90","0.03","2362","3","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 S -","- C28 H38 S -","- C112 H152 S4 -","4","1","OS1072","Kansikas, Jarno; Sipilä, Kaija","Two 9-alkylthiophenanthrenes at 193K (alkyl = dodecyl and tetradecyl)","Acta Crystallographica Section C","2000","56","1","69","71","10.1107/S0108270199012871","","","1.5418","CuKα","","0.1601","0.0687","","0.1829","","0.1416","","","1.038","","","1.177","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010560","8.833","0.0018","16.833","0.003","14.335","0.003","90","","102.65","0.03","90","","2079.7","0.8","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Di-9-anthryl disulfide","","- C28 H18 S2 -","- C28 H18 S2 -","- C112 H72 S8 -","4","1","OS1075","Kansikas, Jarno; Sipilä, Kaija","Di-9-anthryl disulfide at 193K","Acta Crystallographica Section C","2000","56","1","72","73","10.1107/S0108270199012846","","","1.5418","CuKα","","0.071","0.055","","","","0.156","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010561","22.9235","0.0007","9.9309","0.0005","12.8363","0.0007","90","0.01","101.078","0.003","90","0.01","2867.7","0.2","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 N4 O2 -","- C33 H38 N4 O2 -","- C132 H152 N16 O8 -","4","1","QA0187","Baouid, A.; Hasnaoui, H.; Benharref, A.; Aatif, A.; Essaber, M.; Lavergne, J. P.; Pierrot, M.","3,3'-Dimesityl-7-methyl-9a-phenyl-4,4',5,5',6,8,9,9a-octahydro-7<i>H</i>-1,2,4-oxadiazolo[4,5-<i>d</i>][1,4]diazepine-8-spiro-5'-isoxazole","Acta Crystallographica Section C","2000","56","1","e25","e26","10.1107/S0108270199016091","","","0.71073","MoKα","","","0.073","","","","0.083","","","","","","1.575","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010562","13.9224","0.0004","9.959","0.0002","25.6952","0.0006","90","","104.518","0.0014","90","","3448.96","0.15","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(neophyl)tin","tetrakis(2-methyl-2-phenylpropyl)stannane","","- C40 H52 Sn -","- C40 H52 Sn -","- C160 H208 Sn4 -","4","1","QA0190","Low, John Nicolson; Wardell, J. L","Tetrakis(2-methyl-2-phenylpropyl)stannane at 150K","Acta Crystallographica Section C","2000","56","1","e3","e3","10.1107/S010827019901598X","","","0.71073","MoKα","","0.075","0.038","","","","0.088","","","","","","0.989","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010563","8.999","0.002","10.456","0.004","10.622","0.004","69.218","0.012","79.2","0.02","67.07","0.02","859.2","0.5","123","1","123","1","","","","","","","","2","P -1","-P 1","2","Hexabenyzlbenzene","","","- C48 H42 -","- C48 H42 -","- C48 H42 -","1","0.5","QA0192","Frampton, Christopher S.; Gall, James H.; MacNicol, David D.","Hexabenzylbenzene","Acta Crystallographica Section C","2000","56","1","e22","e22","10.1107/S0108270199016005","","","0.71073","MoKα","","0.043","0.038","","","","0.111","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010564","7.9739","0.0001","14.1721","0.0002","20.3772","0.0002","90","","90","","90","","2302.76","0.05","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Bis(2-Bromobenzaldehyde S-methyl dithiocabazate)Pt(II)","Bis(2-Bromobenzaldehyde S-methyl dithiocabazate)Pt(II)","","- C18 H16 Br2 N4 Pt S4 -","- C18 H16 Br2 N4 Pt S4 -","- C72 H64 Br8 N16 Pt4 S16 -","4","0.5","QA0193","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zhu, Xu-Hui; Xu, Yan; Chen, Xiao-Feng; You, Xiao-Zeng","Bis[<i>S</i>-methyl 3-(2-bromobenzylidene)dithiocabazato-<i>N</i>^3^,<i>S</i>]platinum(II)","Acta Crystallographica Section C","2000","56","1","e6","e7","10.1107/S010827019901611X","","","0.71073","MoKα","","0.044","0.03","","","","0.084","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010565","9.1857","0.0018","9.6334","0.0019","10.379","0.002","72.44","0.03","88.5","0.03","68.19","0.03","809.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Trans-dichlorobis(triphenylphosphine-P)platinum(II)","","","- C36 H30 Cl2 P2 Pt -","- C36 H30 Cl2 P2 Pt -","- C36 H30 Cl2 P2 Pt -","1","0.5","","Johansson, Maria H.; Otto, Stefanus","trans-Dichlorobis(triphenylphosphine-P)platinum(II)","Acta Crystallographica, Section C","2000","56","","e12","e15","10.1107/S010827019901608X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2010566","9.1857","0.0018","9.6334","0.0019","10.379","0.002","72.44","0.03","88.5","0.03","68.19","0.03","809.1","0.3","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Cl2 P2 Pt -","- C36 H30 Cl2 P2 Pt -","- C36 H30 Cl2 P2 Pt -","1","0.5","","Johansson, Maria H.; Otto, Stefanus","trans-Dichlorobis(triphenylphosphine-P)platinum(II)","Acta Crystallographica, Section C","2000","56","","e12","e15","10.1107/S010827019901608X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2010567","11.903","0.001","10.895","0.002","10.343","0.001","90","","109.76","0.01","90","","1262.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Cyano-2,3-dihydro-2-(tertiobutyloxy)methyl-5H-oxazolo[3,2-a]pyrimidin-5-one,","","- C12 H15 N3 O3 -","- C12 H15 N3 O3 -","- C48 H60 N12 O12 -","4","1","QA0195","Chaimbault, Corinne; Leger, Jean Michel; Bosc, Jean-Jacques; Jarry, Christian","2-<i>tert</i>-Butyloxymethyl-6-cyano-2,3-dihydro-5<i>H</i>-oxazolo[3,2-<i>a</i>]pyrimidin-5-one","Acta Crystallographica Section C","2000","56","1","e29","e30","10.1107/S0108270199016285","","","1.54178","CuKα","","0.104","0.057","","0.16","","0.1312","","","1.033","","","1.12","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010568","7.355","0.002","8.291","0.003","14.374","0.005","95.78","0.04","98.68","0.04","98.51","0.04","850.1","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","Morpholinium-dimorpholidodithiophosphate","","- C12 H26 N3 O3 P S2 -","- C12 H26 N3 O3 P S2 -","- C24 H52 N6 O6 P2 S4 -","2","1","QA0196","Ziemer, Burkhard; Rabis, Annegrit","Morpholinium dimorpholinidodithiophosphate","Acta Crystallographica Section C","2000","56","1","e33","e33","10.1107/S010827019901639X","","","0.71073","MoKα","","0.096","0.057","","0.153","","0.137","","","0.903","","","1.04","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010569","9.552","0.003","11.853","0.007","15.615","0.004","90","","96.47","0.02","90","","1756.7","1.3","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 N O3 P -","- C14 H30 N O3 P -","- C56 H120 N4 O12 P4 -","4","1","QA0197","Amedjkouh, Mohamed; Grimaldi, Jacques; Reboul, Jean-Pierre; Siri, Didier","Diethyl [(2<i>RS</i>,5<i>RS</i>)-5-isopropyl-2,3,3-trimethylpyrrolidin-2-yl]phosphonate","Acta Crystallographica Section C","2000","56","1","e31","e32","10.1107/S0108270199016303","","","0.71073","MoKα","","0.107","0.049","","","","0.069","","","","","","1.167","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010570","9.855","0.002","17.306","0.003","10.607","0.002","90","","114.29","0.01","90","","1648.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","none","2,11,13,21,29,31-hexamethyl-5,16,24-triaza-8,19,27-triazoniaheptacyclo- [10.10.6.1^1,3^.1^5,8^.1^10,14^.1^16,19^.1^24,27^]tritriaconta- 1,3(29),6,8(30),10,12,14(31),17,19(32),21,25,27(33)-dodecene tribromide dihydrate","","- C33 H43 Br3 N6 O2 -","- C33 H43 Br3 N6 O2 -","- C66 H86 Br6 N12 O4 -","2","0.5","QA0198","Yuan, Yi; Zhou, Haibing; Jiang, Zhonlin; Yan, Jiaming; Xie, Rugang","A new tribridged imidazolium cyclophane","Acta Crystallographica Section C","2000","56","1","e34","e35","10.1107/S0108270199016406","","","0.71073","MoKα","","0.06","0.034","","","","0.073","","","","","","0.884","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010571","7.67","0.003","19.766","0.005","13.759","0.003","90","","90.63","0.03","90","","2085.8","1.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-nitro-N,N-bis(2-nitrophenylthio)benzenesulfonamide","","- C18 H12 N4 O8 S3 -","- C18 H12 N4 O8 S3 -","- C72 H48 N16 O32 S12 -","4","1","QB0136","Oguz, Umut; McLaughlin, Mark L.; Fronczek, Frank R.","2-Nitro-<i>N,N</i>-bis(2-nitrophenylthio)benzenesulfonamide","Acta Crystallographica Section C","2000","56","1","e27","e28","10.1107/S0108270199016121","","","0.71073","Mo-Kα","","0.062","0.038","","0.081","","0.04","","","1.32","","","1.483","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010572","9.717","0.002","9.495","0.001","17.542","0.003","90","","97.13","0.01","90","","1606","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2R)-N,N-bis(8-quinoline sulfonylamino)-1,2-diphenylethylenediamine acetone (1\1)","","- C35 H32 N4 O5 S2 -","- C35 H26.006 N4 O5 S2 -","- C70 H52.012 N8 O10 S4 -","2","1","QB0144","Dong, Chune; Zhang, Junlong; Zhang, Liangfu; Yu, Zuolong","(1<i>R</i>,2<i>R</i>)-1,2-Diphenyl-1,2-bis(8-quinolinesulfonylamino)ethylenediamine‒acetone (1/1)","Acta Crystallographica Section C","2000","56","1","e21","e21","10.1107/S0108270199015991","","","0.71073","MoKα","","0.0415","0.0319","","","","0.0742","","","","","","0.944","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010573","6.9804","0.0008","19.256","0.002","26.131","0.003","90","","90","","90","","3512.4","0.7","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C7 H11 Br N2 -","- C7 H11 Br N2 -","- C112 H176 Br16 N32 -","16","0.5","QB0146","Mayr-Stein, Ralf; Bolte, Michael","4-Dimethylaminopyridinium bromide","Acta Crystallographica Section C","2000","56","1","e19","e20","10.1107/S0108270199016133","","","0.71073","MoKα","","0.064","0.036","","","","0.1","","","","","","1.018","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2010574","10.8971","0.0001","17.7367","0.0001","16.7252","0.0002","90","","94.793","0.001","90","","3221.32","0.05","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[bis(diphenylphosphino)methane](pentane-2,4-dithionato-S,S')nickel(II) hexafluorophosphate","","- C30 H29 F6 Ni P3 S2 -","- C30 H29 F6 Ni P3 S2 -","- C120 H116 F24 Ni4 P12 S8 -","4","1","QB0153","Boyd, Peter D. W.; Rickard, Clifton E. F.; Cavell, Kingsley J.","[Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel(II)","Acta Crystallographica Section C","2000","56","1","e16","e18","10.1107/S0108270199016078","","","0.71073","MoKα","","0.037","0.03","","","","0.083","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010575","11.0458","0.0002","13.485","0.0002","14.5828","0.0001","67.386","0.001","76.105","0.001","72.088","0.001","1889.5","0.05","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","Pentane-2,4-dithione[bis(diphenylphosphino)ethane]nickel(II) hexafluorophosphate.","","- C31 H31 F6 Ni P3 S2 -","- C31 H31 F6 Ni P3 S2 -","- C62 H62 F12 Ni2 P6 S4 -","2","1","QB0153","Boyd, Peter D. W.; Rickard, Clifton E. F.; Cavell, Kingsley J.","[Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel(II)","Acta Crystallographica Section C","2000","56","1","e16","e18","10.1107/S0108270199016078","","","0.71073","MoKα","","0.052","0.039","","","","0.104","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010576","10.0345","0.0002","15.8632","0.0002","10.8058","0.0002","90","","94.14","","90","","1715.57","0.05","203","2","203","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Pentane-2,4-dithione[bis(diphenylphosphino)propane]nickel(II) hexafluorophosphate.","","- C32 H33 F6 Ni P3 S2 -","- C32 H33 F6 Ni P3 S2 -","- C64 H66 F12 Ni2 P6 S4 -","2","0.5","QB0153","Boyd, Peter D. W.; Rickard, Clifton E. F.; Cavell, Kingsley J.","[Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel(II)","Acta Crystallographica Section C","2000","56","1","e16","e18","10.1107/S0108270199016078","","","0.71073","MoKα","","0.0505","0.0346","","","","0.0952","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010577","8.6967","0.0017","4.2205","0.0008","10.574","0.002","90","","90","","90","","388.11","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Bismuth Selenide Iodide","Bismuth Selenide Iodide","","- Bi I Se -","- Bi I Se -","- Bi4 I4 Se4 -","4","0.5","QB0155","Braun, Thomas P.; DiSalvo, Francis J.","Bismuth selenide iodide","Acta Crystallographica Section C","2000","56","1","e1","e2","10.1107/S0108270199016017","","","0.71073","MoKα","","0.049","0.047","","","","0.123","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010578","5.2729","0.0001","11.6565","0.0003","7.8383","0.0002","90","","94.011","0.001","90","","480.59","0.02","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","taurine","2-amino-ethanesulfonic acid","","- C2 H7 N O3 S -","- C2 H7 N O3 S -","- C8 H28 N4 O12 S4 -","4","1","QB0156","Görbitz, Carl Henrik; Prydz, Kristian; Ugland, Sigurd","Taurine","Acta Crystallographica Section C","2000","56","1","e23","e24","10.1107/S0108270199016029","","","0.71073","MoKα","","0.028","0.026","","","","0.075","","","","","","1.126","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010579","16.935","0.003","9.0806","0.0007","14.987","0.003","90","","90","","90","","2304.7","0.6","190","2","190","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H16 N7 Nd O9 -","- C20 H16 N7 Nd O9 -","- C80 H64 N28 Nd4 O36 -","4","0.5","QB0157","Bower, John F.; Cotton, Simon A.; Fawcett, John; Russell, David R.","Bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')tris(nitrato-<i>O</i>,<i>O</i>')neodymium","Acta Crystallographica Section C","2000","56","1","e8","e9","10.1107/S0108270199016157","","","0.71073","MoKα","","0.068","0.047","","","","0.129","","","","","","2.23","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010580","7.3152","0.0003","7.5917","0.0004","12.3024","0.0006","86.661","0.003","73.172","0.003","81.79","0.03","647.15","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","Hexaaquomagnesium(II) di[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxo- pyrimidin-2-yl)glycinate] dihydrate","","- C14 H32 Mg N10 O16 -","- C14 H32 Mg N10 O16 -","- C14 H32 Mg N10 O16 -","1","0.5","QB0158","Arranz Mascarós, P.; Cobo Domingo, Justo; Godino Salido, M.; Gutiérrez Valero, M. D.; López Garzón, R.; Low, John Nicolson","Hexaaquamagnesium(II) bis[<i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate] dihydrate","Acta Crystallographica Section C","2000","56","1","e4","e5","10.1107/S0108270199016145","","","0.71073","MoKα","","0.0498","0.0384","","","","0.1099","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010581","18.359","0.004","6.898","0.001","18.256","0.004","90","","110.62","0.02","90","","2163.8","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis-(salicylaldeneamino-3- propanolato)manganese(III)] perchlorate","","- C20 H24 Cl Mn N2 O8 -","- C20 H24 Cl Mn N2 O8 -","- C80 H96 Cl4 Mn4 N8 O32 -","4","0.5","QB0160","Zhang, Cungen; Wu, Dan; Sun, Jie; Kong, Xiangfu","Bis[3-(salicylideneamino-<i>O</i>,<i>N</i>)propanolato]manganese(III) perchlorate","Acta Crystallographica Section C","2000","56","1","e10","e11","10.1107/S0108270199016273","","","0.7107","MoKα","","","0.039","","","","0.048","","","","","","1.52","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010582","6.292","0.001","7.735","0.001","6.745","0.003","90","","90.8","0.01","90","","328.24","0.16","157","","157","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","chlorotrimethylsilane","","- C3 H9 Cl Si -","- C3 H9 Cl Si -","- C6 H18 Cl2 Si2 -","2","0.5","SK1303","Buschmann, Jürgen; Lentz, Dieter; Luger, Peter; Röttger, Matthias","Chlorotrimethylsilane","Acta Crystallographica Section C","2000","56","1","121","122","10.1107/S0108270199012470","","","0.7107","MoKα","","0.066","0.037","","","","0.096","","","","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010583","6.2171","0.0006","12.5197","0.0009","12.2224","0.0009","90","","97.225","0.005","90","","943.79","0.13","291","1","291","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","SK1308","Körner, Ferdinand; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","(1<i>R</i>,2<i>R</i>)-2-(4-Methylenecyclohex-2-enyl)propyl (1<i>R</i>,4<i>S</i>)-camphanate","Acta Crystallographica Section C","2000","56","1","76","77","10.1107/S0108270199012561","","","0.71069","MoKα","","0.0477","0.0336","","","","0.086","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010584","9.7666","0.0019","5.7576","0.0012","19.754","0.003","90","","94.905","0.014","90","","1106.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Folpet","2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione","","- C9 H4 Cl3 N O2 S -","- C9 H4 Cl3 N O2 S -","- C36 H16 Cl12 N4 O8 S4 -","4","1","SX1096","Carle, A. Björn; Krause Bauer, Jeanette A.; Wilson, R. Marshall","2-Trichloromethylthio-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione (Folpet)","Acta Crystallographica Section C","2000","56","1","97","98","10.1107/S0108270199013074","","","0.71073","MoKα","","0.15","0.061","","","","0.157","","","","","","1.1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010585","8.428","0.001","16.863","0.001","11.869","0.001","90","","98.86","0.01","90","","1666.7","0.3","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potassium Bis(ethylenediamine)copper(II) Ferricyanide","","- C10 H16 Cu Fe K N10 -","- C10 H16 Cu Fe K N10 -","- C40 H64 Cu4 Fe4 K4 N40 -","4","0.5","TA1254","Kang, Bei-Sheng; Tong, Ye-Xiang; Yu, Kai-Bei; Su, Cheng-Yong; Zhang, Hua-Xin","Potassium bis(ethylenediamine)copper(II) ferricyanide","Acta Crystallographica Section C","2000","56","1","40","41","10.1107/S0108270199010173","","","0.71073","MoKα","","0.034","0.027","","","","0.068","","","","","","0.966","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010586","6.843","0.004","12.553","0.007","8.076","0.005","90","0.008","111.37","0.008","90","","646","0.7","158","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Br2 Co N2 O4 -","- C4 H14 Br2 Co N2 O4 -","- C8 H28 Br4 Co2 N4 O8 -","2","0.5","TA1257","Depree, Craig V.; Ainscough, Eric W.; Brodie, Andrew M.; Gainsford, Graeme J.; Lensink, Cornelis","H···Br hydrogen bonding in <i>trans</i>-bis(acetonitrile-<i>N</i>)tetraaquacobalt(II) dibromide","Acta Crystallographica Section C","2000","56","1","17","18","10.1107/S0108270199012159","","","0.71073","MoKα","","0.0615","0.0384","","","","0.0869","","","","","","0.904","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010587","9.6119","0.0001","13.4954","0.0001","18.514","0.003","90","","90","","90","","2401.6","0.4","203","2","203","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","Bis(N,N'-dimethylimidazol-2-ylidene)mercury(II) Chlorotriiodomercurate(II) Dimethylsulphoxide solvate.","","- C12 H22 Cl Hg2 I3 N4 O S -","- C12 H22 Cl Hg2 I3 N4 O S -","- C48 H88 Cl4 Hg8 I12 N16 O4 S4 -","4","0.5","TA1265","Clark, Alex M.; Oliver, Allen G.; Rickard, Clifton E. F.; Wright, L. James; Roper, Warren R.","Bis(<i>N,N</i>'-dimethylimidazol-2-ylidene)mercury chlorotriiodomercury dimethyl sulfoxide solvate","Acta Crystallographica Section C","2000","56","1","26","27","10.1107/S0108270199012640","","","0.71073","MoKα","","0.0537","0.0383","","","","0.1099","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010588","8.0507","0.0008","12.0791","0.0012","10.2946","0.0008","90","","97.954","0.008","90","","991.47","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","(-)-sparteine copper(II) diacetate","{1,3,4,7,7a,8,9,10,11,13,14,14a-dodecahydro-7,14-methano- 2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine-N,N'}bis(acetato- O,O')copper(II)","","- C19 H32 Cu N2 O4 -","- C19 H32 Cu N2 O4 -","- C38 H64 Cu2 N4 O8 -","2","1","TA1266","Lee, Yong-Min; Chung, Geewon; Kwon, Mi-A; Choi, Sung-Nak","({-})-Sparteine copper(II) diacetate","Acta Crystallographica Section C","2000","56","1","67","68","10.1107/S0108270199012160","","","0.71069","MoKα","","0.054","0.042","","","","0.101","","","","","","1.315","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010589","8.22","0.002","7.295","0.001","17.47","0.004","90","","100.97","0.02","90","","1028.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-(2,4,6-trimethylphenyl)tetrazole","1-(2,4,6-trimethylphenyl)tetrazole","","- C10 H12 N4 -","- C10 H12 N4 -","- C40 H48 N16 -","4","1","AV1031","Lyakhov, Alexander S.; Ivashkevich, Dmitri O.; Gaponik, Pavel N.; Grigoriev, Yuri V.; Ivashkevich, Ludmila S.","1-(2,4,6-Trimethylphenyl)-1<i>H</i>-1,2,3,4-tetrazole","Acta Crystallographica Section C","2000","56","2","256","257","10.1107/S0108270199014742","","","0.71069","MoKα","","0.0907","0.0528","","","","0.1901","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010590","8.818","0.001","8.377","0.001","8.174","0.001","90","","108.51","0.01","90","","572.56","0.12","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,4,5-tetrakis(cyanomethyl)benzene","","- C14 H10 N4 -","- C14 H10 N4 -","- C28 H20 N8 -","2","0.5","BK1493","Jene, Paul G.; Ibers, James A.","Model porphyrin precursors: 1,2,4,5-tetrakis(cyanomethyl)benzene, methyl 3,4,5-triacetoxybenzoate and 2-(<i>N</i>-phthalimidomethyl)benzoic acid","Acta Crystallographica Section C","2000","56","2","246","249","10.1107/S0108270199014663","","","0.71073","MoKα","","0.079","0.044","","","","0.098","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010591","9.2233","0.0007","11.747","0.001","13.936","0.001","90","","90.451","0.001","90","","1509.9","0.2","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","methyl 3,4,5-triacetoxybenzenoate","","- C14 H14 O8 -","- C14 H14 O8 -","- C56 H56 O32 -","4","1","BK1493","Jene, Paul G.; Ibers, James A.","Model porphyrin precursors: 1,2,4,5-tetrakis(cyanomethyl)benzene, methyl 3,4,5-triacetoxybenzoate and 2-(<i>N</i>-phthalimidomethyl)benzoic acid","Acta Crystallographica Section C","2000","56","2","246","249","10.1107/S0108270199014663","","","0.71073","MoKα","","0.05","0.043","","","","0.116","","","","","","1.84","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010592","12.125","0.001","13.72","0.001","7.7247","0.0008","90","","96.722","0.002","90","","1276.21","0.19","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O4 -","- C16 H11 N O4 -","- C64 H44 N4 O16 -","4","1","BK1493","Jene, Paul G.; Ibers, James A.","Model porphyrin precursors: 1,2,4,5-tetrakis(cyanomethyl)benzene, methyl 3,4,5-triacetoxybenzoate and 2-(<i>N</i>-phthalimidomethyl)benzoic acid","Acta Crystallographica Section C","2000","56","2","246","249","10.1107/S0108270199014663","","","0.71073","MoKα","","0.0539","0.036","","","","0.089","","","","","","1.102","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010593","13.344","0.005","14.393","0.004","11.683","0.002","93.51","0.03","110","0.02","64.19","0.02","1888","1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Tetrabutylbis(N-phthaloylglycinato)distannoxane dimer","octabutyl-1k^2^C,2k^2^C,3k^2^C,4k^2^C-bis-m~3~oxo- 1:2:3k^3^O;1:3:4k^3^O-tetrakis(m-phthalimidoacetato)- 1:2k^2^O;2:3k^2^O:O';3:4k^2^O;1:4k^2^O:O'-tetratin(IV)","","- C72 H96 N4 O18 Sn4 -","- C72 H96 N4 O18 Sn4 -","- C72 H96 N4 O18 Sn4 -","1","0.5","BK1497","Parvez, Masood; Anwar, Saeed; Badshah, Amin; Ahmad, Bashir; Majeed, Abdul; Ashfaq, Muhammad","Tetrabutylbis(<i>N</i>-phthaloylglycinato)distannoxane dimer","Acta Crystallographica Section C","2000","56","2","159","160","10.1107/S0108270199013591","","","0.7107","MoKα","","0.093","0.032","","","","0.082","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010594","7.804","0.013","12.931","0.006","7.49","0.04","91.59","0.16","112.9","0.2","88.12","0.08","696","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-Chloro-N-(4-cyano-2-nitrophenyl)-3-nitrobenzamide","","- C14 H7 Cl N4 O5 -","- C14 H7 Cl N4 O5 -","- C28 H14 Cl2 N8 O10 -","2","1","BM1358","Cronin, Leroy; Adams, Dave A.; Nightingale, David J.; Clark, James H.","4-Chloro-<i>N</i>-(4-cyano-2-nitrophenyl)-3-nitrobenzamide","Acta Crystallographica Section C","2000","56","2","244","245","10.1107/S0108270199014651","","","0.71069","MoKα","","0.088","0.046","","0.145","0.115","","","","1.053","1.092","1.092","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010595","7.943","0.002","14.448","0.003","15.336","0.003","99.01","0.03","96.19","0.03","91.54","0.03","1726.4","0.7","150","","150","","","","","","","","","6","P -1","-P 1","2","","(1,2-benzisothiazol-3(2H)-one-1,1-dioxide)aquabis(1,10-phenanthroline) manganese(II)1,2-benzisothiazol-3(2H)-one-1,1-dioxide","","- C38 H26 Mn N6 O7 S2 -","- C38 H26 Mn N6 O7 S2 -","- C76 H52 Mn2 N12 O14 S4 -","2","1","BM1359","Deng, Robert M. K.; Bilton, Clair; Dillon, Keith B.; Howard, Judith A. K.","Two saccharinate complexes: [Mn(phen)~2~(sac)(H~2~O)]^+^·sac^{‒^} and [Co(bipy)~2~(sac)(H~2~O)]^+^·sac^{‒^}","Acta Crystallographica Section C","2000","56","2","142","145","10.1107/S0108270199012664","","","0.71073","MoKα","","0.069","0.04","","0.107","","0.095","","","","","","1.008","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010596","7.6982","0.0001","31.3359","0.0005","13.2179","0.0002","90","","93.272","0.001","90","","3183.36","0.08","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,2-benzisothiazol-3(2H)-one-1,1-dioxide)aquabis(2,2'-bipyridine) cobalt(II)1,2-benzisothiazol-3(2H)-one-1,1-dioxide","","- C34 H26 Co N6 O7 S2 -","- C34 H26 Co N6 O7 S2 -","- C136 H104 Co4 N24 O28 S8 -","4","1","BM1359","Deng, Robert M. K.; Bilton, Clair; Dillon, Keith B.; Howard, Judith A. K.","Two saccharinate complexes: [Mn(phen)~2~(sac)(H~2~O)]^+^·sac^{‒^} and [Co(bipy)~2~(sac)(H~2~O)]^+^·sac^{‒^}","Acta Crystallographica Section C","2000","56","2","142","145","10.1107/S0108270199012664","","","0.71073","MoKα","","0.043","0.033","","0.073","","0.079","","","","","","1.147","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010597","7.162","0.002","8.2217","0.0015","13.807","0.004","98.1","0.02","99.4","0.02","102.51","0.02","769.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C38 H28 N4 O8 -","2","1","BM1366","Kovalevsky, A. Yu.; Ponomarev, I. I.","A series of three bis[2-(methyl/trifluoromethyl)-4<i>H</i>-3,1-benzoxazin-4-one] compounds","Acta Crystallographica Section C","2000","56","2","260","262","10.1107/S0108270199014213","","","0.71073","MoKα","","0.096","0.037","","0.125","","0.098","","","0.905","","","1.189","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010598","25.643","0.017","5.206","0.002","16.211","0.01","90","","126.35","0.04","90","","1743","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H8 F6 N2 O4 -","- C19 H8 F6 N2 O4 -","- C76 H32 F24 N8 O16 -","4","0.5","BM1366","Kovalevsky, A. Yu.; Ponomarev, I. I.","A series of three bis[2-(methyl/trifluoromethyl)-4<i>H</i>-3,1-benzoxazin-4-one] compounds","Acta Crystallographica Section C","2000","56","2","260","262","10.1107/S0108270199014213","","","0.71073","MoKα","","0.167","0.081","","0.471","","0.209","","","1.052","","","1.157","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010599","10.509","0.002","5.0144","0.0007","15.397","0.003","90","","95.35","0.02","90","","807.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 F6 N2 O4 -","- C18 H6 F6 N2 O4 -","- C36 H12 F12 N4 O8 -","2","0.5","BM1366","Kovalevsky, A. Yu.; Ponomarev, I. I.","A series of three bis[2-(methyl/trifluoromethyl)-4<i>H</i>-3,1-benzoxazin-4-one] compounds","Acta Crystallographica Section C","2000","56","2","260","262","10.1107/S0108270199014213","","","0.71073","MoKα","","0.077","0.049","","0.174","","0.146","","","1.075","","","1.248","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010600","7.067","0.004","9.783","0.005","11.44","0.006","90","","103.43","0.03","90","","769.3","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N3 S -","- C5 H11 N3 S -","- C20 H44 N12 S4 -","4","1","BM1372","Parsons, Simon; Smith, Andrew G.; Tasker, Peter A.; White, David J.","Acetone-4-methylthiosemicarbazone at 220K","Acta Crystallographica Section C","2000","56","2","237","238","10.1107/S0108270199014559","","","1.54178","CuKα","","0.0495","0.0431","","","","0.1221","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010601","8.242","0.002","21.782","0.006","12.557","0.003","90","","119.292","0.014","90","","1966.1","0.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diaquatris(pentane-2,4-dionato-O,O')holmium(III) monohydrate","","- C15 H27 Ho O9 -","- C15 H27 Ho O9 -","- C60 H108 Ho4 O36 -","4","1","BM1374","Kooijman, Huub; Nijsen, Frank; Spek, Anthony L.; Schip, Fred van het","Diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) monohydrate and diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) 4-hydroxypentan-2-one solvate dihydrate","Acta Crystallographica Section C","2000","56","2","156","158","10.1107/S0108270199013566","","","0.71073","MoKα","","0.056","0.042","","","","0.099","","","","","","1.151","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010602","11.4903","0.0011","11.0242","0.0006","20.5442","0.0015","90","","93.44","0.007","90","","2597.7","0.3","293","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","diaquatris(pentane-2,4-dionato-O,O')holmium(III) 4-hydroxypentan-2-one solvate dihydrate","","- C20 H37 Ho O12 -","- C20 H37 Ho O12 -","- C80 H148 Ho4 O48 -","4","1","BM1374","Kooijman, Huub; Nijsen, Frank; Spek, Anthony L.; Schip, Fred van het","Diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) monohydrate and diaquatris(pentane-2,4-dionato-<i>O</i>,<i>O</i>')holmium(III) 4-hydroxypentan-2-one solvate dihydrate","Acta Crystallographica Section C","2000","56","2","156","158","10.1107/S0108270199013566","","","0.71073","MoKα","","0.043","0.032","","","","0.069","","","","","","1.173","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010603","15.5849","0.0011","11.6404","0.0006","8.115","0.0007","90","","113.738","0.003","90","","1347.63","0.17","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,6-Bis-(3-{trifluoromethyl}pyrazol-1-yl)pyridine","","- C13 H7 F6 N5 -","- C13 H7 F6 N5 -","- C52 H28 F24 N20 -","4","0.5","BM1377","Halcrow, Malcolm A.; Kilner, Colin A.; Thornton-Pett, Mark","2,6-Bis-(3-trifluoromethylpyrazol-1-yl)pyridine","Acta Crystallographica Section C","2000","56","2","213","214","10.1107/S0108270199013852","","","0.71073","MoKα","","0.0693","0.0473","","","","0.1391","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010604","24.928","0.003","7.8409","0.0006","11.5716","0.0012","90","","92.256","0.008","90","","2260","0.4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","chiral bis([2.2]paracyclophan-4-yl)methane","","- C33 H32 -","- C33 H32 -","- C132 H128 -","4","0.5","BM1382","Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars","Chiral and <i>meso</i>-bis([2.2]paracyclophan-4-yl)methane and <i>meso</i>-bis([2.2]paracyclophan-4-yl) sulfide","Acta Crystallographica Section C","2000","56","2","239","241","10.1107/S0108270199014560","","","0.71073","MoKα","","0.0631","0.0452","","0.1306","0.1207","","","","1.024","1.128","1.128","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010605","25.969","0.003","7.72","0.001","23.329","0.003","90","","94.044","0.006","90","","4665.4","1","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","meso-bis([2.2]paracyclophan-4-yl)methane","","- C33 H32 -","- C33 H32 -","- C264 H256 -","8","1","BM1382","Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars","Chiral and <i>meso</i>-bis([2.2]paracyclophan-4-yl)methane and <i>meso</i>-bis([2.2]paracyclophan-4-yl) sulfide","Acta Crystallographica Section C","2000","56","2","239","241","10.1107/S0108270199014560","","","0.71073","MoKα","","0.0541","0.0416","","0.1164","0.1097","","","","1.037","1.116","1.116","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010606","8.1084","0.0012","12.334","0.002","12.826","0.002","94.525","0.012","105.516","0.012","105.779","0.008","1173.4","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","meso-bis([2.2]paracyclophan-4-yl)sulfide","","- C32 H30 S -","- C32 H30 S -","- C64 H60 S2 -","2","1","BM1382","Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars","Chiral and <i>meso</i>-bis([2.2]paracyclophan-4-yl)methane and <i>meso</i>-bis([2.2]paracyclophan-4-yl) sulfide","Acta Crystallographica Section C","2000","56","2","239","241","10.1107/S0108270199014560","","","0.71073","MoKα","","0.0785","0.0401","","0.0897","0.0813","","","","0.817","0.994","0.994","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010607","15.0766","0.0009","15.0766","0.0009","15.0766","0.0009","90","","90","","90","","3427","0.4","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","poly[Bis((2-aminomethyl)methylamine)(μ-hexathiocyanato) triccadmium(II) 1.0 water solvate","","- C16 H32 Cd3 N12 O S6 -","- C16.0002 H32.001 Cd3 N12 O1.0002 S6 -","- C64.0008 H128.004 Cd12 N48 O4.0008 S24 -","4","0.166667","BR1256","Mostafa, Golam; Mondal, Arunendu; Laskar, Inamur R.; Welch, A. J.; Chaudhuri, N. Ray","A three-dimensional network of cadmium","Acta Crystallographica Section C","2000","56","2","146","148","10.1107/S010827019901269X","","","0.71073","MoKα","","0.054","0.044","","","","0.129","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010608","6.773","0.002","6.776","0.003","10.122","0.003","71.72","0.03","79.48","0.02","66.64","0.02","404","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","tetrarubidiumtetraoxatin(IV)","","- O4 Rb4 Sn -","- O4 Rb4 Sn -","- O8 Rb8 Sn2 -","2","1","BR1266","Hoch, Constantin; Röhr, Caroline","Rubidium stannate(IV), Rb~4~SnO~4~","Acta Crystallographica Section C","2000","56","2","136","137","10.1107/S0108270199013700","","","0.7107","MoKα","","0.087","0.056","","","","0.15","","","","","","1.101","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010609","11.86","0.01","12.6","0.01","13.02","0.02","74.3","0.1","79.6","0.1","66","0.1","1706","4","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H68 N2 Na10 O74 W12 -","- C4 N2 Na10 O74 W12 -","- C4 N2 Na10 O74 W12 -","1","0.5","BR1268","Haruo Naruke; Norio Fukuda; Toshihiro Yamase","Na~10~(glycine)~2~[H~2~W~12~O~42~]·28H~2~O","Acta Crystallographica Section C","2000","56","2","177","178","10.1107/S0108270199014419","","","0.7107","MoKα","","","0.0514","","","","0.0629","","","","","","1.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010610","12.864","0.003","14.422","0.003","9.083","0.0018","90","","134.83","0.03","90","","1195.1","0.8","295","2","295","2","","","","","","","","2","C 1 c 1","C -2yc","9","","Lanthanum diarsenide","","- As2 La -","- As2 La -","- As32 La16 -","16","4","BR1274","Wang, Meitian; Mar, Arthur","High-temperature LaAs~2~","Acta Crystallographica Section C","2000","56","2","138","139","10.1107/S0108270199015553","","","0.71073","MoKα","","0.0604","0.0477","","","","0.1036","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010611","19.657","0.012","17.066","0.003","17.67","0.005","90","","90","","90","","5928","4","150","0.1","150","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(tetra-n-butylammonium) Bis[μ-2-hydroxy-2-phenyl- ethanoato(2-)]-bis[oxomonoperoxovanadate(V)]","","- C56 H92 N2 O15 V2 -","- C56 H92 N2 O15 V2 -","- C224 H368 N8 O60 V8 -","4","0.5","CF1306","Kutá Smatanová, Ivana; Marek, Jaromír; Švančárek, Peter; Schwendt, Peter","Bis(tetra-<i>n</i>-butylammonium) bis[(mandelato)oxo(peroxo)vanadate(V)] mandelic acid solvate","Acta Crystallographica Section C","2000","56","2","154","155","10.1107/S0108270199013475","","","0.71073","MoKα","","0.098","0.052","","","","0.168","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010612","9.1198","0.0013","9.96","0.002","19.483","0.003","90","","92.176","0.012","90","","1768.4","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(iodobromo)triphenylarsenic","","- C18 H15 As Br I -","- C18 H15 As Br I -","- C72 H60 As4 Br4 I4 -","4","1","CF1314","Cross, Wendy I.; Dahalan, Mohjat Z.; Godfrey, Stephen M.; Jaiboon, Nongnuch; McAuliffe, Charles A.; Pritchard, Robin G.; Thompson, Graeme M.","(Triphenylarsine)iodinemonobromine: a charge-transfer adduct in which arsenic selectively bonds to iodine","Acta Crystallographica Section C","2000","56","2","140","141","10.1107/S0108270199012111","","","0.71073","MoKα","","0.053","0.036","","","","0.089","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010613","6.1333","0.0008","24.365","0.003","8.0681","0.0006","90","","108.496","0.008","90","","1143.4","0.2","293","1","293","1","","","","","","","","4","P 1 21 1","P 2yb","4","Cyclomicrobuxine","3β-(Dimethylamino)-16α-hydroxy-14-methyl-4-methylene-9,19-cyclo-5α- pregnan-20-one monohydrate","","- C25 H41 N O3 -","- C25 H41 N O3 -","- C50 H82 N2 O6 -","2","1","DA1099","Parvez, Masood; Atta-ur-Rahman; Choudhary, M. Iqbal; Parveen, Shehnaz; Ayatollahi, Syed Abdul Majid","Cyclomicrobuxine monohydrate","Acta Crystallographica Section C","2000","56","2","233","234","10.1107/S0108270199014420","","","0.71069","MoKα","","0.1373","0.0585","","","","0.2554","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010614","6.5156","0.0007","8.2006","0.0011","20.6704","0.0014","90","","90","","90","","1104.5","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,2-dimethyl-1-picrylhydrazine","2,2-dimethyl-1-(2,4,6-trinitro)phenylhydrazine","","- C8 H9 N5 O6 -","- C8 H9 N5 O6 -","- C32 H36 N20 O24 -","4","1","DA1101","Quail, J. Wilson; Weil, John A.; Singh, Malvinder P.","2,2-Dimethyl-1-(2,4,6-trinitrophenyl)hydrazine","Acta Crystallographica Section C","2000","56","2","235","236","10.1107/S0108270199014547","","","0.71073","MoKα","","0.0478","0.0384","","","","0.0999","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010615","7.448","0.003","8.514","0.003","9.786","0.003","107.57","0.03","100.99","0.03","94.57","0.03","574.5","0.4","125","","","","","","","","","","","4","P -1","-P 1","2","","3-methylthio-4-propargylthioquinoline","","- C13 H11 N S2 -","- C13 H11 N S2 -","- C26 H22 N2 S4 -","2","1","DE1124","Boryczka, Stanisław; Schreurs, Antoine M. M.; Kroon, Jan; Steiner, Thomas","C[tripleC—H···N hydrogen bonding in 3-methylthio-4-propargylthioquinoline","Acta Crystallographica Section C","2000","56","2","263","264","10.1107/S0108270199016297","","","0.71073","MoKα","","0.0624","0.053","","","","0.1271","","","","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010616","8.905","0.003","5.301","0.001","12.035","0.003","90","","95.4","0.03","90","","565.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 N2 O4 S2 -","- C10 H6 N2 O4 S2 -","- C20 H12 N4 O8 S4 -","2","0.5","FG1563","Brisse, François; Atfani, Mohamed; Bergeron, Jean-Yves; Bélanger-Gariépy, Francine; Armand, Michel","<i>N</i>,<i>N</i>'-Dimethyl-1,4-dithiine-1,2:4,5-tetracarboximide and <i>N</i>,<i>N</i>'-dimethyl-1,4-diselenine-1,2:4,5-tetracarboximide","Acta Crystallographica Section C","2000","56","2","190","192","10.1107/S0108270199010100","","","1.54056","CuKα","","0.033","0.03","","0.09","","0.088","","","1.093","","","1.14","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010617","9.173","0.002","5.302","0.001","12.239","0.004","90","","93.69","0.02","90","","594","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 N2 O4 Se2 -","- C10 H6 N2 O4 Se2 -","- C20 H12 N4 O8 Se4 -","2","0.5","FG1563","Brisse, François; Atfani, Mohamed; Bergeron, Jean-Yves; Bélanger-Gariépy, Francine; Armand, Michel","<i>N</i>,<i>N</i>'-Dimethyl-1,4-dithiine-1,2:4,5-tetracarboximide and <i>N</i>,<i>N</i>'-dimethyl-1,4-diselenine-1,2:4,5-tetracarboximide","Acta Crystallographica Section C","2000","56","2","190","192","10.1107/S0108270199010100","","","1.54056","CuKα","","0.033","0.026","","0.075","","0.073","","","1.077","","","1.181","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010618","10.273","0.002","15.238","0.002","11.976","0.002","90","","95.63","0.01","90","","1865.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2-acetylpyridine-(4-phenylthiosemicarbazonoato)- N,N,S)]-chloro-transdimethyl-tin(IV),","","- C16 H19 Cl N4 S Sn -","- C16 H19 Cl N4 S Sn -","- C64 H76 Cl4 N16 S4 Sn4 -","4","1","FR1234","Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Sousa, Gerimário F. de; Abras, Anuar","(2-Acetylpyridine-κ<i>N</i> 4-phenylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)halogeno-<i>trans</i>-dimethyltin(IV) (halogeno = chloro and bromo)","Acta Crystallographica Section C","2000","56","2","187","189","10.1107/S0108270199015450","","","0.71073","MoKα","","0.052","0.033","","","","0.102","","","","","","1.072","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010619","10.1858","0.0009","15.3819","0.0018","12.0726","0.0007","90","","97.56","0.006","90","","1875.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2-acetylpyridine-(4-phenylthiosemicarbazonoato)- N,N,S)]-bromo-transdimethyl-tin(IV),","","- C16 H19 Br N4 S Sn -","- C16 H19 Br N4 S Sn -","- C64 H76 Br4 N16 S4 Sn4 -","4","1","FR1234","Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Sousa, Gerimário F. de; Abras, Anuar","(2-Acetylpyridine-κ<i>N</i> 4-phenylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)halogeno-<i>trans</i>-dimethyltin(IV) (halogeno = chloro and bromo)","Acta Crystallographica Section C","2000","56","2","187","189","10.1107/S0108270199015450","","","0.71073","MoKα","","0.12","0.04","","","","0.106","","","","","","1.054","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010620","8.481","0.001","14.206","0.001","18.273","0.001","90","","90.538","0.004","90","","2201.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl N-[4-methoxyphenyl-(3,4,5-trimethoxyphenyl)-methyl]pyroglutamate","","- C23 H27 N O7 -","- C23 H27 N O7 -","- C92 H108 N4 O28 -","4","1","GS1054","Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan","Structural analysis of pyrrolidinones","Acta Crystallographica Section C","2000","56","2","193","196","10.1107/S0108270199013037","","","1.54178","CuKα","","0.0456","0.0424","","","","0.1221","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010621","9.19","0.001","11.333","0.001","14.756","0.001","89.292","0.007","73.923","0.005","66.722","0.007","1348.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","methyl N-[naphtyl-(3,4,5-trimethoxyphenyl)-methyl]pyroglutamate","","- C28 H30 N O8 -","- C28 H30 N O8 -","- C56 H60 N2 O16 -","2","1","GS1054","Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan","Structural analysis of pyrrolidinones","Acta Crystallographica Section C","2000","56","2","193","196","10.1107/S0108270199013037","","","1.54178","CuKα","","0.0669","0.0652","","","","0.2098","","","","","","1.002","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010622","9.909","0.001","8.519","0.001","23.793","0.001","90","","98.104","0.004","90","","1988.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(3,4,5-trimethoxyphenyl)-1,2,3,5-tetrahydro-11a-naphto[1,8-f,g] indolizine-3-one","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C96 H92 N4 O16 -","4","1","GS1054","Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan","Structural analysis of pyrrolidinones","Acta Crystallographica Section C","2000","56","2","193","196","10.1107/S0108270199013037","","","1.54178","CuKα","","0.0437","0.0423","","","","0.1207","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010623","10.868","0.001","12.937","0.001","15.049","0.001","90","","96.009","0.004","90","","2104.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(3,4,5-trimethoxyphenyl)-1,2,3,5,12,12a-hexahydronaphto[1,2-f] indolizine-3,12-dione","","- C25 H23 N O5 -","- C25 H23 N O5 -","- C100 H92 N4 O20 -","4","1","GS1054","Camus, Fabrice; Norberg, Bernadette; Legrand, Anne; Rigo, Benoit; Durant, François; Wouters, Johan","Structural analysis of pyrrolidinones","Acta Crystallographica Section C","2000","56","2","193","196","10.1107/S0108270199013037","","","1.54178","CuKα","","0.0491","0.0399","","","","0.1182","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010624","9.5567","0.0019","20.491","0.004","27.169","0.005","90","","90","","90","","5320.4","1.8","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Leurosine methiodide-methanol-water (1/3/2)","","","- C50 H75 I N4 O14 -","- C50 H75 I0.996 N4 O14 -","- C200 H300 I3.984 N16 O56 -","4","1","GS1056","Hardouin, Christophe; Doris, Eric; Rousseau, Bernard; Mioskowski, Charles; Nierlich, Martine","Leurosine methiodide‒methanol‒water (1/3/2)","Acta Crystallographica Section C","2000","56","2","225","226","10.1107/S0108270199014055","","","0.71073","MoKα","","0.106","0.073","","","","0.211","","","","","","0.965","","","","has coordinates,has disorder,has Fobs","194542","2020-10-21","18:00:00",""
"2010625","9.709","0.002","13.748","0.002","7.128","0.001","90","","90","","90","","951.4","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Mercury(II) polyphosphate","","- Hg O6 P2 -","- Hg O6 P2 -","- Hg8 O48 P16 -","8","1","GS1057","Weil, Matthias; Glaum, Robert","Mercury(II) polyphosphate, Hg(PO~3~)~2~","Acta Crystallographica Section C","2000","56","2","133","135","10.1107/S0108270199014067","","","0.71073","MoKα","","0.039","0.034","","","","0.093","","","","","","1.108","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010626","6.0272","0.0002","18.6624","0.0008","7.3642","0.0003","90","","98.148","0.001","90","","819.98","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2S)-(2-N-methyl-N-4-toluenesulfonyl)amino-1-phenyl-1-propanol","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C34 H42 N2 O6 S2 -","2","1","HA1248","Chinnakali, Kandasamy; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.","(1<i>R</i>,2<i>S</i>)-2-[<i>N</i>-Methyl-<i>N</i>-(4-toluenesulfonyl)amino]-1-phenylpropan-1-ol","Acta Crystallographica Section C","2000","56","2","227","228","10.1107/S0108270198017429","","","0.71073","MoKα","","0.048","0.041","","","","0.104","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010627","7.854","0.001","9.384","0.001","13.23","0.002","101.563","0.002","103.699","0.002","90.184","0.002","926.8","0.2","300","","293","","","","","","","","","3","P 1","P 1","1","","","","- C21 H20 O8 -","- C21 H20 O8 -","- C42 H40 O16 -","2","2","JA1004","Du Boulay, Douglas; Shaari, Khozirah; Skelton, Brian W.; Waterman, Peter G.; White, Allan H.","2β-Hydroxy-4'-demethyldesoxypodophyllotoxin","Acta Crystallographica Section C","2000","56","2","199","200","10.1107/S010827019901358X","","","0.71073","MoKα","","0.09","0.04","","0.044","","0.044","","","1.07","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010628","7.5821","0.0016","7.613","0.002","22.27","0.003","99.469","0.016","96.999","0.012","94.79","0.02","1251.5","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","4-cyano-N-(4-methoxybenzylidene)phenylamine N-oxide","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","2","JA1009","Kang, Jun-Gill; Hong, Jung-Pyo; Suh, Il-Hwan","<i>N</i>-(4-Cyanophenyl)-α-(4-methoxyphenyl)nitrone","Acta Crystallographica Section C","2000","56","2","231","232","10.1107/S0108270199014596","","","0.71069","MoKα","","0.103","0.056","","","","0.177","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010629","15.151","0.003","12.739","0.003","10.5509","0.0013","90","","97.888","0.013","90","","2017.1","0.7","291","","291","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N4 O8 S4 -","- C14 H16 N4 O8 S4 -","- C56 H64 N16 O32 S16 -","4","0.5","JA1010","Cho, Nam Sook; Hong, Soon Il; Kim, Jin-Gyu; Suh, Il-Hwan","4,17,25,26-Tetraaza-6,9,12,15-tetraoxa-2,19,21,24-tetrathiatricyclo[18.4.1^1,4^.1^17,20^]hexacosa-1(25),20(26)-diene-3,5,16,18-tetraone","Acta Crystallographica Section C","2000","56","2","229","230","10.1107/S0108270199014353","","","0.71069","MoKα","","0.0984","0.0442","","","","0.0915","","","","","","1.018","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010630","11.415","0.004","11.415","0.004","8.0552","0.0008","90","","90","","120","","909","0.5","293","2","291","2","","","","","","","","7","P 3","P 3","143","","","","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H48 Cl7 Co2 N12 Na O6 -","- C12 H48 Cl7 Co2 N12 Na O6 -","1","0.333333","KA1333","Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian","Redetermination of the double salt Λ-[tris(ethylenediamine)cobalt(III) trichloride]‒sodium chloride‒water (2/1/6)","Acta Crystallographica Section C","2000","56","2","149","151","10.1107/S0108270199013116","","","0.71073","MoKα","","0.047","0.047","","","","0.144","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010631","13.238","0.0011","5.9089","0.0004","16.3148","0.0015","90","","111.335","0.009","90","","1188.72","0.18","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-(-)-4-(3,4-dichlorophenyl)-4-(2-pyridyl)butanoic acid . L-(-)-ephedrine","(R)-(-)-4-(3,4-dichlorophenyl)-4-(2-pyridyl)butanoic acid L-(-)-ephedrine","","- C25 H28 Cl2 N2 O3 -","- C25 H28 Cl2 N2 O3 -","- C50 H56 Cl4 N4 O6 -","2","1","KA1342","Manfred Zabel; Josef Breu; Franz Rau; Klaus-Jürgen Range; Volker Krey; Anka Uffrecht; Armin Buschauer","Absolute configuration of ({-})-4-(3,4-dichlorophenyl)-4-(2-pyridyl)butanoic acid: essential information to determine crucial steric features of arpromidine-type histamine H~2~ receptor agonists","Acta Crystallographica Section C","2000","56","2","250","251","10.1107/S0108270199014699","","","0.71069","MoKα","","0.0769","0.0398","","","","0.0718","","","","","","0.721","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010632","5.4741","0.0009","7.3018","0.0007","26.791","0.003","90","","90","","90","","1070.9","0.2","134","2","134","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1'-deoxy-1'-(4-fluorophenyl)-β-D-ribofuranose","","- C11 H13 F O4 -","- C11 H13 F O4 -","- C44 H52 F4 O16 -","4","1","KA1343","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2000","56","2","201","205","10.1107/S010827019901361X","","","0.71073","MoKα","","0.04","0.037","","","","0.111","","","","","","1.393","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010633","6.7109","0.0014","6.7653","0.0007","22.846","0.003","90","","90","","90","","1037.2","0.3","135","2","135","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1'-deoxy-1'-(4-fluorophenyl)-β-D-ribofuranose","","- C11 H13 F O4 -","- C11 H13 F O4 -","- C44 H52 F4 O16 -","4","1","KA1343","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2000","56","2","201","205","10.1107/S010827019901361X","","","0.71073","MoKα","","0.053","0.039","","","","0.09","","","","","","1.114","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010634","29.356","0.006","5.3068","0.0007","7.353","0.0011","90","","93.215","0.01","90","","1143.7","0.3","154","2","154","2","","","","","","","","4","C 1 2 1","C 2y","5","","1'-deoxy-1'-(4-fluorophenyl)-β-D-ribofuranose hemihydrate","","- C11 H14 F O4.5 -","- C11 H14 F O4.5 -","- C44 H56 F4 O18 -","4","1","KA1343","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2000","56","2","201","205","10.1107/S010827019901361X","","","0.71073","MoKα","","0.036","0.034","","","","0.1","","","","","","1.486","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010635","14.684","0.002","4.6609","0.0006","15.772","0.002","90","","99.476","0.011","90","","1064.7","0.2","134","2","134","2","","","","","","","","4","C 1 2 1","C 2y","5","","1'-deoxy-1'-(2,4-difluorophenyl)-β-D-ribofuranose","","- C11 H12 F2 O4 -","- C11 H12 F2 O4 -","- C44 H48 F8 O16 -","4","1","KA1343","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2000","56","2","201","205","10.1107/S010827019901361X","","","0.71073","MoKα","","0.052","0.046","","","","0.122","","","","","","1.4","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010636","9.342","0.001","9.106","0.001","16.208","0.001","90","","92.58","0.01","90","","1377.4","0.2","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N4 O S -","- C15 H12 N4 O S -","- C60 H48 N16 O4 S4 -","4","1","KA1344","Özbey, Süheyla; Ulusoy, Nuray; Kendi, Engin","3-(2-Furyl)-6-(4-methylphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine and its 6-phenyl analogue","Acta Crystallographica Section C","2000","56","2","222","224","10.1107/S0108270199014079","","","0.71073","MoKα","","","0.038","","","","0.043","","","","","","0.7","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010637","8.799","0.002","9.302","0.001","15.5437","0.0001","90","","97.4","0.01","90","","1261.6","0.3","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 O S -","- C14 H10 N4 O S -","- C56 H40 N16 O4 S4 -","4","1","KA1344","Özbey, Süheyla; Ulusoy, Nuray; Kendi, Engin","3-(2-Furyl)-6-(4-methylphenyl)-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine and its 6-phenyl analogue","Acta Crystallographica Section C","2000","56","2","222","224","10.1107/S0108270199014079","","","0.71073","MoKα","","","0.037","","","","0.042","","","","","","0.74","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010638","6.9997","0.0012","7.4134","0.0014","12.348","0.002","105.627","0.003","90.456","0.004","95.905","0.003","613.37","0.19","133","2","133","2","","","","","","","","6","P -1","-P 1","2","p-Nitrocatechol sulfate","2-Hydroxy-5-nitrophenyl sulfate","","- C6 H7 K2 N O9 S -","- C6 H7 K2 N O9 S -","- C12 H14 K4 N2 O18 S2 -","2","1","KA1345","von Bülow, Rixa; Usón, Isabel","The dipotassium salt of <i>p</i>-nitrocatechol sulfate","Acta Crystallographica Section C","2000","56","2","152","153","10.1107/S0108270199013426","","","0.71073","MoKα","","0.0454","0.0351","","","","0.0973","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010639","18.944","0.003","18.944","0.003","6.3326","0.0011","90","","90","","90","","2272.6","0.6","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Sodium diphenylacetate","","- C14 H11 Na O2 -","- C14 H11 Na O2 -","- C112 H88 Na8 O16 -","8","1","LN1088","Paixão, J. A.; Nascimento, F. V.; Matos Beja, A.; Ramos Silva, M.","Sodium diphenylacetate, an infinite columnar structure","Acta Crystallographica Section C","2000","56","2","168","170","10.1107/S0108270199014080","","","0.71073","MoKα","","0.078","0.038","","","","0.106","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010640","6.221","0.001","22.263","0.001","9.411","0.001","90","","97.3","0.02","90","","1292.8","0.3","293","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1:1 Complex of 4-nitrobenzoic acid and 4-nitropyridine N-oxide","","- C12 H9 N3 O7 -","- C12 H9 N3 O7 -","- C48 H36 N12 O28 -","4","1","NA1431","Moreno-Fuquen, Rodolfo; Ribeiro de Castro, Eustaquio Vinicius; Moreno, Margarita; De Almeida Santos, Regina Helena; Montaño, Angela Marcela","1:1 Complex of 4-nitrobenzoic acid and 4-nitropyridine <i>N</i>-oxide","Acta Crystallographica Section C","2000","56","2","206","207","10.1107/S0108270199013724","","","0.71073","MoKα","","0.094","0.044","","0.132","0.094","","","","1.077","1.033","1.033","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010641","10.5062","0.0005","8.594","0.0004","6.3562","0.0003","90","","90","","90","","573.9","0.05","293","","293","","","","","","","","","4","P n a m","-P 2c 2n","62","","1-methyl-3-nitro-pyrazole","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C16 H20 N12 O8 -","4","0.5","NA1434","Foces-Foces, C.; Jagerovic, N.; Elguero, J.","Weak C‒H···O and C‒H···N interactions in nitropyrazoles","Acta Crystallographica Section C","2000","56","2","215","218","10.1107/S0108270199013876","","","1.54178","CuKα","","0.043","0.043","","0.045","","0.045","","","1.016","","","1.016","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2010642","7.4197","0.0008","10.1803","0.0015","8.3529","0.001","90","","112.924","0.008","90","","581.1","0.13","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-methyl-4-nitropyrazole","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C16 H20 N12 O8 -","4","1","NA1434","Foces-Foces, C.; Jagerovic, N.; Elguero, J.","Weak C‒H···O and C‒H···N interactions in nitropyrazoles","Acta Crystallographica Section C","2000","56","2","215","218","10.1107/S0108270199013876","","","1.54178","CuKα","","0.081","0.071","","0.087","","0.08","","","0.998","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010643","91.116","0.017","4.932","0.004","8.997","0.01","90","","93.01","0.04","90","","4038","6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","γ-form of n-Eicosanol","","- C20 H42 O -","- C20 H42 O -","- C160 H336 O8 -","8","1","NA1435","Michaud, François; Ventolà, Lourdes; Calvet, M. Teresa; Cuevas-Diarte, Miquel Angel; Solans, Xavier; Font-Bardía, Mercé","The γ-form of <i>n</i>-eicosanol","Acta Crystallographica Section C","2000","56","2","219","221","10.1107/S010827019901392X","","","0.71069","MoKα","","0.07","0.041","","","","0.159","","","","","","0.978","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010644","8.867","0.001","4.8579","0.0002","29.39","0.002","90","","96.05","0.01","90","","1258.92","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","morpholine β-iodophenylacetylene complex (1:1)","","- C12 H14 I N O -","- C12 H14 I N O -","- C48 H56 I4 N4 O4 -","4","1","NA1436","Batsanov, Andrei S.; Howard, Judith A. K.","Morpholine‒β-iodophenylacetylene (1/1) revisited: an exceptionally short I···N contact","Acta Crystallographica Section C","2000","56","2","252","253","10.1107/S0108270199014705","","","0.71073","MoKα","","0.032","0.0286","","","","0.0583","","","","","","1.295","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010645","14.134","0.002","12.491","0.002","12.063","0.002","90","","119.483","0.01","90","","1853.9","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-[(4-Hydroxybenzylidene)amino]-1,2,4-triazole Hemihydrate","","- C9 H9 N4 O1.5 -","- C9 H9 N4 O1.5 -","- C72 H72 N32 O12 -","8","1","NA1438","Zhu, Dun-Ru; Xu, Yan; Liu, Yong-Jiang; Song, You; Zhang, Yong; You, Xiao-Zeng","4-(4-Hydroxybenzylideneamino)-4<i>H</i>-1,2,4-triazole hemihydrate","Acta Crystallographica Section C","2000","56","2","242","243","10.1107/S0108270199014572","","","0.71073","MoKα","","0.0874","0.0567","","0.1847","","0.1554","","","1.102","","","1.166","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010646","5.787","0.001","29.089","0.003","11.881","0.001","90","","100.49","0.01","90","","1966.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-5-[(4-Nitrophenylhydrazono)phenylacetyl]-3-phenylisoxazole","","- C23 H16 N4 O4 -","- C23 H16 N4 O4 -","- C92 H64 N16 O16 -","4","1","NA1439","Bruno, Giuseppe; Nicoló, Francesco; Panzalorto, Manuela; Gattuso, Mario; La Torre, G. Loredana","(<i>E</i>)-5-[(4-Nitrophenylhydrazono)phenylacetyl]-3-phenylisoxazole","Acta Crystallographica Section C","2000","56","2","254","255","10.1107/S0108270199014675","","","0.71073","MoKα","","0.069","0.034","","0.079","0.072","","","","0.835","0.835","0.835","","","","","has coordinates,has disorder,has Fobs","201957","2020-10-21","18:00:00",""
"2010647","16.983","0.004","8.863","0.002","9.784","0.004","90","","103.67","0.03","90","","1431","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5(6H)-one","","- C16 H11 Cl N4 O -","- C16 H11 Cl N4 O -","- C64 H44 Cl4 N16 O4 -","4","1","NA1441","Alberto Borassi; Maria M. Carnasciali; Angelo Mugnoli; Giorgio Roma","8-Chloro-6-phenyl-4<i>H</i>-[1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepin-5(6<i>H</i>)-one","Acta Crystallographica Section C","2000","56","2","258","259","10.1107/S0108270199014754","","","0.7107","MoKα","","","0.04","","","","0.1098","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010648","14.923","0.002","9.9557","0.001","15.728","0.002","90","","95.088","0.01","90","","2327.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Dicyclohexyldithiophosphinato-S,S')-[2-(2-pyridyl-N)phenyl]mercury(II)","","- C23 H30 Hg N P S2 -","- C23 H30 Hg N P S2 -","- C92 H120 Hg4 N4 P4 S8 -","4","1","NA1445","Casas, José S.; Castellano, Eduardo E.; García Tasende, M.S.; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.; Zukerman-Schpector, Julio","(Dicyclohexyldithiophosphinato-<i>S</i>,<i>S</i>')[2-(2-pyridyl-<i>N</i>)phenyl]mercury(II)","Acta Crystallographica Section C","2000","56","2","182","183","10.1107/S0108270199015048","","","0.71073","MoKα","","0.119","0.039","","","","0.103","","","","","","0.961","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010649","9.731","0.002","9.638","0.001","13.772","0.001","90","","107.66","0.01","90","","1230.8","0.3","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Octacarbonyl-bis(μ-4-methoxyphenyl-sulphido)-dirhenium","","- C22 H14 O10 Re2 S2 -","- C22 H14 O10 Re2 S2 -","- C44 H28 O20 Re4 S4 -","2","0.5","NA1446","Flörke, Ulrich; Egold, Hans; Schwarze, Detlev","Sulfido-bridged rhenium‒carbonyl complexes with planar and folded Re~2~S~2~ cores","Acta Crystallographica Section C","2000","56","2","184","186","10.1107/S0108270199015152","","","0.71073","MoKα","","0.0339","0.0262","","","","0.0627","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010650","24.561","0.003","9.378","0.003","23.722","0.003","90","","112.63","0.01","90","","5043.3","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Hexacarbonyl-bis(dicyclohexylphosphane)-bis(μ-naphthyl- sulfido)-dirhenium","","- C50 H60 O6 P2 Re2 S2 -","- C50 H60 O6 P2 Re2 S2 -","- C200 H240 O24 P8 Re8 S8 -","4","0.5","NA1446","Flörke, Ulrich; Egold, Hans; Schwarze, Detlev","Sulfido-bridged rhenium‒carbonyl complexes with planar and folded Re~2~S~2~ cores","Acta Crystallographica Section C","2000","56","2","184","186","10.1107/S0108270199015152","","","0.71073","MoKα","","0.1351","0.0469","","","","0.1174","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010651","9.505","0.002","11.2518","0.0009","9.464","0.002","103.1","0.01","110.52","0.01","87.93","0.01","922.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 N6 O6 Pt -","- C14 H22 N6 O6 Pt -","- C28 H44 N12 O12 Pt2 -","2","1","OA1096","Noguchi, Kishie; Tamura, Takashi; Yuge, Hidetaka; Miyamoto, Takeshi Ken","Linkage isomerism of organoplatinum(II) compounds coordinated by two 1,3-dimethylbarbiturate anions","Acta Crystallographica Section C","2000","56","2","171","173","10.1107/S0108270199014109","","","0.71069","MoKα","","0.0381","0.0263","","","","0.061","","","","","","1.028","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010652","12.84","0.002","10.7834","0.0009","14.727","0.002","90","","107.051","0.009","90","","1949.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 N6 O8 Pt -","- C14 H26 N6 O8 Pt -","- C56 H104 N24 O32 Pt4 -","4","1","OA1096","Noguchi, Kishie; Tamura, Takashi; Yuge, Hidetaka; Miyamoto, Takeshi Ken","Linkage isomerism of organoplatinum(II) compounds coordinated by two 1,3-dimethylbarbiturate anions","Acta Crystallographica Section C","2000","56","2","171","173","10.1107/S0108270199014109","","","0.71069","MoKα","","0.0479","0.0271","","","","0.0653","","","","","","1.016","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010653","8.7942","0.0011","12.3337","0.0015","17.291","0.002","90","","101.201","0.002","90","","1839.7","0.4","298","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Hexaaquabis(dimethylsulphoxide)yttrium(III) Chloride","Hexaaquabis(dimethylsulphoxide)yttrium(III) Chloride","","- C4 H24 Cl3 O8 S2 Y -","- C4 H24 Cl3 O8 S2 Y -","- C16 H96 Cl12 O32 S8 Y4 -","4","1","OS1077","Kristiansson, Olof; Lindqvist-Reis, Patric","Hexaaquabis(dimethyl sulfoxide)yttrium(III) trichloride","Acta Crystallographica Section C","2000","56","2","163","164","10.1107/S0108270199014092","","","0.71073","MoKα","","0.094","0.0442","","","","0.0986","","","","","","0.941","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010654","7.2661","0.001","12.2749","0.0018","14.803","0.002","90","","95.084","0.002","90","","1315.1","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(4-aminopyridine)silver(I)nitrate","Bis(4-aminopyridine)silver(I)nitrate","","- C10 H12 Ag N5 O3 -","- C10 H12 Ag N5 O3 -","- C40 H48 Ag4 N20 O12 -","4","0.5","OS1082","Kristiansson, Olof","Bis(4-aminopyridine)silver(I) nitrate and tris(2,6-diaminopyridine)silver(I) nitrate","Acta Crystallographica Section C","2000","56","2","165","167","10.1107/S0108270199014432","","","0.71073","MoKα","","0.0419","0.0331","","","","0.0941","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010655","8.9276","0.0007","11.1291","0.0009","19.7562","0.0015","90","","90","","90","","1962.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tris(2,6-diaminopyridine)silver(I)nitrate ?","","- C15 H21 Ag N10 O3 -","- C15 H21 Ag N10 O3 -","- C60 H84 Ag4 N40 O12 -","4","1","OS1082","Kristiansson, Olof","Bis(4-aminopyridine)silver(I) nitrate and tris(2,6-diaminopyridine)silver(I) nitrate","Acta Crystallographica Section C","2000","56","2","165","167","10.1107/S0108270199014432","","","0.71073","MoKα","","0.0311","0.024","","","","0.0545","","","","","","0.937","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010656","11.374","0.002","11.374","","22.939","0.003","90","","90","","90","","2967.6","0.7","298.2","","298.2","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","4-(4-methylsulfonylphenyl)-3-phenyl-2,5-dihydro-2-furanone","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C136 H112 O32 S8 -","8","1","QA0199","Shashi Rekha, K.; Vyas, K.; Haricharan Raju, C. M.; Chandrashekar, B.; Om Reddy, G.","Viox, a COX-II inhibitor","Acta Crystallographica Section C","2000","56","2","e68","e68","10.1107/S0108270100001062","","","1.5418","CuKα","","0.042","0.042","","0.059","","0.059","","","1.74","","","1.74","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010657","9.9277","0.0002","16.4556","0.0003","12.4895","0.0002","90","","97.594","0.001","90","","2022.47","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Methionyl-L-alanine 2-propanol solvate","","- C14 H32 N2 O5 S -","- C14 H32 N2 O5 S -","- C56 H128 N8 O20 S4 -","4","2","QA0200","Görbitz, Carl Henrik","<small>L</small>-Methionyl-<small>L</small>-alanine‒2-propanol (1/2)","Acta Crystallographica Section C","2000","56","2","e64","e65","10.1107/S0108270100000548","","","0.71073","MoKα","","0.117","0.078","","","","0.202","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010658","11.0306","0.0019","15.111","0.003","17.554","0.003","84.38","0.02","80.36","0.02","85.82","0.02","2866","0.9","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","Triphenylphoshine","","- C18 H15 P -","- C18 H15 P -","- C144 H120 P8 -","8","4","QA0201","Ziemer, Burkhard; Rabis, Annegrit; Hans-Uwe Steinberger","Triclinic polymorphs of triphenylphosphine and triphenylphosphine sulfide","Acta Crystallographica Section C","2000","56","2","e58","e59","10.1107/S0108270100000433","","","0.71073","MoKα","","0.0646","0.0422","","","","0.1114","","","","","","0.919","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010659","9.542","0.003","11.207","0.003","14.537","0.004","88.89","0.04","80.39","0.04","78.28","0.03","1500.6","0.8","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","Triphenylphosphinsulfide","","- C18 H15 P S -","- C18 H15 P S -","- C72 H60 P4 S4 -","4","2","QA0201","Ziemer, Burkhard; Rabis, Annegrit; Hans-Uwe Steinberger","Triclinic polymorphs of triphenylphosphine and triphenylphosphine sulfide","Acta Crystallographica Section C","2000","56","2","e58","e59","10.1107/S0108270100000433","","","0.71073","MoKα","","0.0387","0.0293","","","","0.0786","","","","","","0.974","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010660","16.645","0.002","25.768","0.002","7.066","0.003","90","","90","","90","","3030.7","1.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Oleana-12(13), 15(16)-diene-3α, 28 diol diacetate","","- C34 H52 O4 -","- C34 H52 O4 -","- C136 H208 O16 -","4","1","QA0202","Bhattacharyya, Kinkini; Kar, Tanusree; Dutta, Pradeep Kumar; Achari, Basudeb; Bocelli, Gabriele; Righi, Lara","Oleana-12(13),15(16)-diene-3α,28-diyl diacetate","Acta Crystallographica Section C","2000","56","2","e60","e61","10.1107/S0108270100000445","","","1.54178","CuKα","","0.0502","0.0463","","0.141","","0.1367","","","1.123","","","1.162","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010661","6.4976","0.0004","12.729","0.001","14.741","0.001","73.4","0.01","81.98","0.01","74.61","0.01","1123.81","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","bis(ethylenediamine)pyrimidinyl-2-carboxylato Co(3+) trifluoromethanesulfonate dihydrate","","- C11 H23 Co F6 N6 O10 S2 -","- C11 H23 Co F6 N6 O10 S2 -","- C22 H46 Co2 F12 N12 O20 S4 -","2","1","QA0203","Antolić, Snježana; Kojić-Prodić, Biserka; Lovrić, Jasna","Bis(ethylenediamine-<i>N</i>,<i>N</i>')(pyrimidine-2-carboxylato-<i>N</i>^1^,<i>O</i>)cobalt(III) bis(trifluoromethanesulfonate) dihydrate","Acta Crystallographica Section C","2000","56","2","e51","e52","10.1107/S0108270100000561","","","0.71073","MoKα","","0.0815","0.037","","","","0.0989","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010662","6.1467","0.0012","8.075","0.003","5.77","0.002","101.93","0.03","108.27","0.02","76.65","0.02","261.79","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H18 Cl2 N2 -","- C6 H18 Cl2 N2 -","- C6 H18 Cl2 N2 -","1","0.5","QA0205","Kabak, Mehmet; Elerman, Yalçin; Ünalerog̋lu, Canan; Mert, Yüksel; Durlu, T.Nuri","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediammonium dichloride","Acta Crystallographica Section C","2000","56","2","e66","e67","10.1107/S0108270100001050","","","0.71069","MoKα","","0.053","0.046","","","","0.127","","","","","","1.355","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010663","10.868","0.0014","12.5889","0.0016","13.835","0.002","114.432","0.013","109.881","0.013","95.87","0.014","1554","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","Di-μ-chloro-bis{1,2-bis(diphenylphosphino)ethane}dipalladium(II) bis(tetrafluoroborate).2CDCl~3~","","- C54 H48 B2 Cl8 D2 F8 P4 Pd2 -","- C54 H50 B2 Cl8 F8 P4 Pd2 -","- C54 H50 B2 Cl8 F8 P4 Pd2 -","1","0.5","QA0208","Abu-Surrah, Adnan S.; Klinga, Martti; Repo, Timo; Leskelä, Markku; Debaerdemaeker, Tony; Rieger, Bernhard","Inhibition of a palladium(II) catalyst upon formation of a di-μ-chloro complex: di-μ-chloro-bis[1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']dipalladium(II) bis(tetrafluoroborate) bis(deuterochloroform) solvate","Acta Crystallographica Section C","2000","56","2","e44","e45","10.1107/S0108270100000639","","","0.71073","MoKα","","0.056","0.042","","","","0.114","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010664","7.4055","0.0002","10.3008","0.0004","13.6543","0.0005","79.896","0.001","79.283","0.002","85.338","0.002","1006.27","0.06","291","1","291","1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 N2 O3 P -","- C23 H19 N2 O3 P -","- C46 H38 N4 O6 P2 -","2","1","QA0211","Reeske, Gregor; Schürmann, Markus; Preut, Hans; Mitchell, Terence Nigel","4-(Diphenylphosphinoyl)-3-methyl-<i>N</i>-phenyl-1,2-isoxazole-5-carboxamide","Acta Crystallographica Section C","2000","56","2","e72","e72","10.1107/S0108270100001098","","","0.71069","MoKα","","0.051","0.035","","","","0.096","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010665","7.64","0.002","12.7121","0.0014","10.2205","0.0007","90","","91.668","0.011","90","","992.2","0.3","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,3a,4,5a,6,7,8-Octahydro-5a-methyl-6,9-methano-1H,9H-5-oxa-4-azacyclo- penta[c]indene","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","QA0212","Tam, William; Handerson, Sean; Ferguson, George","2,3,3a,4,5a,6,7,8-Octahydro-5a-methyl-6,9-methano-1<i>H</i>,9<i>H</i>-5-oxa-4-azacyclopenta[<i>c</i>]indene","Acta Crystallographica Section C","2000","56","2","e71","e71","10.1107/S0108270100001086","","","0.7107","MoKα","","0.0668","0.0442","","","","0.109","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010666","10.652","0.001","7.002","0.001","16.427","0.001","90","","93.36","0.01","90","","1223.1","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Br2 N O Sn -","- C7 H15 Br2 N O Sn -","- C28 H60 Br8 N4 O4 Sn4 -","4","1","QA0215","König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel","A 1:1 adduct between dimethyltin dibromide and <i>N</i>-methylpyrrolidinone (NMP)","Acta Crystallographica Section C","2000","56","2","e53","e54","10.1107/S0108270100001104","","","0.71069","MoKα","","0.029","0.024","","","","0.059","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010667","10.3136","0.0003","12.124","0.001","27.139","0.003","100.346","0.009","93.422","0.007","97.605","0.007","3296.8","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","iso-Propylxanthatotriphenyltin","","- C22 H22 O S2 Sn -","- C22 H22 O S2 Sn -","- C132 H132 O6 S12 Sn6 -","6","3","QB0127","Ng, Seik Weng; Rae, A. David","A pseudosymmetric triclinic modification of triphenyltin isopropylxanthate","Acta Crystallographica Section C","2000","56","2","e47","e48","10.1107/S0108270100000457","","","0.71073","MoKα","","0.085","0.05","","","","0.09","","","","","","1.45","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010668","12.26","0.003","15.025","0.002","16.347","0.003","90","","99","0.02","90","","2974.2","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl[1,3-bis(diphenylphosphino)propane]palladium(II) hemitoluene","","- C32.5 H36 P2 Pd -","- C32.5 H36 P2 Pd -","- C130 H144 P8 Pd4 -","4","1","QB0151","Abu-Surrah, Adnan S.; Debaerdemaeker, Tony; Huhn, Wolfgang; Rieger, Bernhard; Klinga, Martti; Repo, Timo; Leskelä, Markku","An alkyl‒palladium(II) complex with a bidentate phosphine ligand: [1,3-bis(diphenylphosphino)propane-<i>P</i>,<i>P</i>']dimethylpalladium(II) toluene hemisolvate","Acta Crystallographica Section C","2000","56","2","e42","e43","10.1107/S0108270100000391","","","0.71073","MoKα","","0.03","0.023","","","","0.062","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2010669","6.8709","0.0001","6.8709","0.0001","29.0432","0.0002","90","","90","","90","","1371.11","0.03","293","2","293","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Zirconium dihydroxide chromate","","- Cr H2 O6 Zr -","- Cr O6 Zr -","- Cr12 O72 Zr12 -","12","0.375","QB0152","Casari, Barbara M.; Langer, Vratislav","Zirconium dihydroxide chromate","Acta Crystallographica Section C","2000","56","2","e36","e37","10.1107/S0108270100000421","","","0.71073","MoKα","","0.031","0.025","","","","0.07","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010670","11.953","0.002","18.433","0.004","11.954","0.002","90","","114.86","0.03","90","","2389.8","1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,5-bis(ferrocenylmethylthio)-1,3-dithiole-2-one","","- C25 H22 Fe2 O S4 -","- C25 H22 Fe2 O S4 -","- C100 H88 Fe8 O4 S16 -","4","1","QB0159","Chohan, Zahid, H.; Howie, R. Alan; Wardell, James L.; Low, John Nicolson","4,5-Bis(ferrocenylmethylthio)-1,3-dithiol-2-one","Acta Crystallographica Section C","2000","56","2","e46","e46","10.1107/S0108270100000408","","","0.71073","MoKα","","0.155","0.056","","","","0.148","","","","","","0.947","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010671","24.225","0.003","8.307","0.003","25.396","0.002","90","","113.505","0.005","90","","4686.6","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H33 N6 O11.5 Pd -","- C14 H33 N6 O11.5 Pd -","- C112 H264 N48 O92 Pd8 -","8","1","QB0161","Noguchi, Kishie; Yuge, Hidetaka; Miyamoto, Takeshi Ken","An organopalladium(II) compound including enolate oxygen- and <i>sp</i>^3^-carbon-bound 1,3-dimethylbarbiturate ligands: (1,2-diaminoethane)bis(1,3-dimethylbarbiturato)palladium(II) 5.5-hydrate","Acta Crystallographica Section C","2000","56","2","e40","e41","10.1107/S010827010000041X","","","0.71069","MoKα","","0.068","0.032","","","","0.08","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010672","18.3948","0.0013","7.4649","0.0014","13.2477","0.0016","90","","124.752","0.004","90","","1494.6","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H18 Cl2 Ir N5 O4 -","- C8 H18 Cl2 Ir N5 O4 -","- C32 H72 Cl8 Ir4 N20 O16 -","4","0.5","QB0165","Ohashi, Masataka; Kajiyama, Kazumasa; Yuge, Hidetaka; Miyamoto, Takeshi Ken","Ammonium dichlorobis(dimethylglyoximato-<i>N</i>,<i>N</i>')iridate(III)","Acta Crystallographica Section C","2000","56","2","e38","e39","10.1107/S010827010000038X","","","0.71069","MoKα","","0.0251","0.0139","","","","0.0345","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010673","10.758","0.002","15.879","0.003","11.04","0.002","90","","112.74","0.01","90","","1739.3","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","none","3-Ethoxy-4-[(1'R,2'S)-(2'-hydroxy-1',2'-diphenyl)ethylamino]-3-cyclobutene- 1,2-dione","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","2","QB0166","Zhou, Haibing; Yuan, Yi; Chan, Albert S. C.; Yang, Teng-Kuei; Xie, Rugang","The new chiral ligand 3-ethoxy-4-[(1<i>R</i>,2<i>S</i>)-(2-hydroxy-1,2-diphenylethyl)amino]-3-cyclobutene-1,2-dione","Acta Crystallographica Section C","2000","56","2","e57","e57","10.1107/S0108270100000378","","","0.71073","MoKα","","0.07","0.038","","","","0.073","","","","","","0.846","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010674","34.497","0.007","7.796","0.002","7.503","0.002","90","","95.12","0.03","90","","2009.8","0.9","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dodecyl 2-nitrophenyl disulphide","","- C18 H29 N O2 S2 -","- C18 H29 N O2 S2 -","- C72 H116 N4 O8 S8 -","4","1","QB0167","Low, John Nicolson; Wardell, James L.","Dodecyl 2-nitrophenyl disulphide","Acta Crystallographica Section C","2000","56","2","e62","e62","10.1107/S0108270100000470","","","0.71073","MoKα","","0.143","0.07","","","","0.21","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010675","10.0818","0.0003","16.122","0.0007","13.7747","0.0006","90","","90","","90","","2238.92","0.15","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-aminoethoxybis(2-thienyl)boron","","- C10 H12 B N O S2 -","- C10 H12 B N O S2 -","- C80 H96 B8 N8 O8 S16 -","8","1","QB0168","Low, John Nicolson; Musgrave, Oliver, C.; Wardell, James, L.","(2-Aminoethoxy)bis(2-thienyl)boron","Acta Crystallographica Section C","2000","56","2","e63","e63","10.1107/S0108270100000482","","","0.71073","MoKα","","0.074","0.046","","","","0.122","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010676","7.488","0.003","12.475","0.005","18.176","0.006","90","","97.15","0.03","90","","1684.7","1.1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{2-[(3-aminopropyl)aminopropyliminomethyl]imidazolato-N, N', N'', N'''}- (methanol-O)copper(II) perchlorate.","","- C11 H22 Cl Cu N5 O5 -","- C11 H22 Cl Cu N5 O5 -","- C44 H88 Cl4 Cu4 N20 O20 -","4","1","QB0169","Pajunen, Aarne; Cámara, Fernando; Dominques-Vera, Jose M.; Colacio, Enrique","{2-[(3-Aminopropyl)aminopropyliminomethyl]imidazolato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(methanol-<i>O</i>)copper(II) perchlorate","Acta Crystallographica Section C","2000","56","2","e49","e50","10.1107/S0108270100000494","","","0.71073","MoKα","","0.047","0.041","","","","0.111","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010677","13.8148","0.0016","13.8148","0.0016","13.8148","0.0016","90","","90","","90","","2636.5","0.5","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Bis(tetramethylammonium)Nonadecaoxohexamolybdenum(VI) Solvate Hydrate","","- C8 H24 Mo6 N2 O20 -","- C8 H24 Mo6 N2 O20 -","- C32 H96 Mo24 N8 O80 -","4","0.0208333","QB0170","Wu, Dingming; Wang, Sheng; Lin, Xiang; Lu, Canzhong; Zhuang, Honghui","Bis(tetramethylammonium) nonadecaoxohexamolybdenum(VI) monohydrate","Acta Crystallographica Section C","2000","56","2","e55","e56","10.1107/S0108270100001116","","","0.71073","MoKα","","0.039","0.034","","","","0.095","","","","","","1.326","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010678","7.199","0.001","12.896","0.001","25.077","0.003","90","","90","","90","","2328.1","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1:1 Complex of 4-Nitrophenol and 4-Methyl-Pyridine","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C96 H96 N16 O24 -","8","1","QB0172","Jin, Zhi Min; Pan, Yuan Jiang; Xu, Duan Jun; Xu, Yuan Zhi","The 1:1 complex of 4-nitrophenol and 4-methylpyridine","Acta Crystallographica Section C","2000","56","2","e69","e70","10.1107/S0108270100001074","","","0.71073","MoKα","","0.118","0.037","","","","0.077","","","","","","0.81","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010679","6.877","0.001","9.787","0.001","15.547","0.002","90","","96.91","0.02","90","","1038.8","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl N2 -","- C12 H9 Cl N2 -","- C48 H36 Cl4 N8 -","4","1","SK1328","Hensen, Karl; Spangenberg, Björn; Bolte, Michael","Two phenanthroline hydrochlorides","Acta Crystallographica Section C","2000","56","2","208","210","10.1107/S0108270199013815","","","0.71073","MoKα","","0.1377","0.0679","","0.1498","0.1247","0.1498","","","1.05","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010680","26.017","0.003","7.222","0.001","19.461","0.002","90","","90.77","0.01","90","","3656.3","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 Cl7 N6 -","- C37 H29 Cl7 N6 -","- C148 H116 Cl28 N24 -","4","1","SK1328","Hensen, Karl; Spangenberg, Björn; Bolte, Michael","Two phenanthroline hydrochlorides","Acta Crystallographica Section C","2000","56","2","208","210","10.1107/S0108270199013815","","","0.71073","MoKα","","0.0855","0.0431","","","","0.0898","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010681","9.8185","0.0004","10.5191","0.0004","10.8556","0.0005","61.474","0.001","76.764","0.001","70.973","0.001","927.62","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Hexakis(imidazole)nickel(II) di(p-methoxybenzoate), [Ni(Im)~6~(mB)~2~] (Im = imidazole, mB = p-methoxybenzoate)","","- C34 H38 N12 Ni O6 -","- C34 H38 N12 Ni O6 -","- C34 H38 N12 Ni O6 -","1","0.5","SK1338","Zuoxiang Wang; Yurong Zhang; Ibrahim Abdul Razak; S.Shanmuga Sundara Raj; Hoong-Kun Fun; Fengsheng Li; Hongchang Song","Hexakis(imidazole-<i>N</i>^3^)nickel(II) bis(4-methoxybenzoate)","Acta Crystallographica Section C","2000","56","2","161","162","10.1107/S0108270199013827","","","0.71073","MoKα","","0.06","0.052","","","","0.14","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010682","7.3969","0.0004","26.703","0.0009","6.0594","0.0003","90","","90","","90","","1196.85","0.1","293","","295","3","","","","","","","","4","C c c 2","C 2 -2c","37","","4,4'-dibromobenzophenone","","- C13 H8 Br2 O -","- C13 H8 Br2 O -","- C52 H32 Br8 O4 -","4","0.5","SK1339","Perić, Berislav; Kojić-Prodić, Biserka","4,4'-Dibromobenzophenone at 293 and 103K","Acta Crystallographica Section C","2000","56","2","211","212","10.1107/S0108270199013839","","","1.54184","CuKα","","0.0342","0.0223","","","","0.0658","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010683","7.2242","0.0002","26.5957","0.0009","6.0118","0.0002","90","","90","","90","","1155.06","0.06","103","3","103","3","","","","","","","","4","C c c 2","C 2 -2c","37","","4,4'-dibromobenzophenone","","- C13 H8 Br2 O -","- C13 H8 Br2 O -","- C52 H32 Br8 O4 -","4","0.5","SK1339","Perić, Berislav; Kojić-Prodić, Biserka","4,4'-Dibromobenzophenone at 293 and 103K","Acta Crystallographica Section C","2000","56","2","211","212","10.1107/S0108270199013839","","","1.54184","CuKα","","0.0204","0.0191","","","","0.0533","","","","","","1.157","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010684","10.8397","0.0006","8.7317","0.0006","12.867","0.0009","90","","102.16","0.004","90","","1190.52","0.14","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-hydroxybenzoato)(1,4,8,11-tetraazacyclotetradecane)nickel(II)","","- C24 H34 N4 Ni O6 -","- C24 H34 N4 Ni O6 -","- C48 H68 N8 Ni2 O12 -","2","0.5","SK1344","Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.","Bis(4-hydroxybenzoato-<i>O</i>)(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II): a three-dimensional framework built from O—H···O and N—H···O hydrogen bonds","Acta Crystallographica Section C","2000","56","2","174","176","10.1107/S0108270199014249","","","0.71073","MoKα","","0.0577","0.0385","","","","0.0891","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010685","22.813","0.004","29.024","0.006","17.113","0.004","90","","90","","90","","11331","4","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","Bis[chlorobis(1,10-phenanthroline-N,N')(thiourea-S)nickel(II)]chloride nitrate diethanol solvate","","- C54 H52 Cl3 N13 Ni2 O5 S2 -","- C54 H52 Cl3 N13 Ni2 O5 S2 -","- C432 H416 Cl24 N104 Ni16 O40 S16 -","8","0.5","SX1095","Leopoldo Suescun; Alvaro W. Mombrú; Raúl A. Mariezcurrena; Helena Pardo; Silvia Russi; Ricardo Baggio","Bis[chlorobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiourea-<i>S</i>)nickel(II)] chloride nitrate diethanol solvate","Acta Crystallographica Section C","2000","56","2","179","181","10.1107/S0108270199014833","","","0.71069","MoKα","","0.078","0.066","","","","0.209","","","","","","1.096","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010686","5.393","0.001","9.13","0.002","11.963","0.002","92.67","0.03","95.02","0.03","100.45","0.03","575.9","0.2","293","2","293","2","","","","","","","","4","P 1","P 1","1","tylophorine-B benzene solvate","2,3,6 trimethoxy phenanthro [9,10:6',7'] indolizedine","","- C29 H31 N O3 -","- C29 H31 N O3 -","- C29 H31 N O3 -","1","1","TA1256","Wang, Qiguang; Xie, Liang; Zhai, Jianjun","Tylophorine B benzene solvate","Acta Crystallographica Section C","2000","56","2","197","198","10.1107/S0108270199013499","","","0.71073","MoKα","","0.077","0.062","","","","0.193","","","","","","1.131","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010687","13.888","0.003","10.947","0.002","22.33","0.005","90","","90.01","0.02","90","","3394.9","1.2","129","","129","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","sodium tetraphenylphosphonium bis(2-mercapto-4- methylphenolato)oxovanadate(IV)]","","- C38 H32 Na O3 P S2 V -","- C38 H32 Na O3 P S2 V -","- C152 H128 Na4 O12 P4 S8 V4 -","4","1","BK1473","Challen, Paul R.; McConville, David B.; Youngs, Wiley J.","One-dimensional chains in sodium tetraphenylphosphonium bis(2-mercapto-4-methylphenolato-<i>O</i>,<i>S</i>)oxovanadate(IV)","Acta Crystallographica Section C","2000","56","3","310","311","10.1107/S0108270199015838","","","0.71073","MoKα","","0.051","0.0328","","0.0719","0.0693","","","","1.004","1.157","1.157","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010688","10.121","0.003","10.121","0.003","26.118","0.01","90","","90","","90","","2675.4","1.5","153","2","153","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","N-(diphenylphosphinoselenoyl)-P,P-diphenyl- tetrahydrofuran solvate","","- C28 H29 N O P2 Se2 -","- C28 H29 N O P2 Se2 -","- C112 H116 N4 O4 P8 Se8 -","4","0.5","BK1508","Pernin, Christopher G.; Ibers, James A.","Two tetrahydrofuran solvates of HN(SePPh~2~)~2~","Acta Crystallographica Section C","2000","56","3","376","378","10.1107/S010827019901584X","","","0.71073","MoKα","","0.0278","0.0222","","","","0.0586","","","","","","0.972","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010689","8.796","0.002","13.248","0.003","13.864","0.003","97.832","0.004","102.673","0.004","94.545","0.004","1551.5","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","N-(diphenylphosphinoselenoyl)-P,P-diphenyl- tetrahydrofuran solvate","","- C32 H37 N O2 P2 Se2 -","- C32 H37 N O2 P2 Se2 -","- C64 H74 N2 O4 P4 Se4 -","2","1","BK1508","Pernin, Christopher G.; Ibers, James A.","Two tetrahydrofuran solvates of HN(SePPh~2~)~2~","Acta Crystallographica Section C","2000","56","3","376","378","10.1107/S010827019901584X","","","0.71073","MoKα","","0.0462","0.0354","","","","0.0891","","","","","","1.242","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010690","9.4003","0.0012","9.4003","0.0012","17.35","0.004","90","","90","","120","","1327.7","0.4","293","2","293","2","","","","","","","","4","P -6 2 c","P -6c -2c","190","","Praseodimium oxydiacetate","","- C12 H28 O23 Pr2 -","- C12 H12 O22.998 Pr2 -","- C24 H24 O45.996 Pr4 -","2","0.166667","BK1511","Baggio, Ricardo; Perec, Mireille; Garland, Maria Teresa","Triaquatris(μ-oxydiacetato)dipraseodymium(III) pentahydrate and hexaaquatris(μ-oxydiacetato)dineodymium(III) oxydiacetic acid solvate dihydrate","Acta Crystallographica Section C","2000","56","3","312","315","10.1107/S0108270199015851","","","0.71073","MoKα","","0.032","0.02","","","","0.059","","","","","","1.083","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010691","14.096","0.002","6.844","0.001","32.223","0.003","90","","99.59","0.01","90","","3065.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Neodimium oxydiacetate","","- C16 H34 Nd2 O28 -","- C16 H16 Nd2 O28 -","- C64 H64 Nd8 O112 -","4","1","BK1511","Baggio, Ricardo; Perec, Mireille; Garland, Maria Teresa","Triaquatris(μ-oxydiacetato)dipraseodymium(III) pentahydrate and hexaaquatris(μ-oxydiacetato)dineodymium(III) oxydiacetic acid solvate dihydrate","Acta Crystallographica Section C","2000","56","3","312","315","10.1107/S0108270199015851","","","0.71073","MoKα","","0.089","0.047","","","","0.145","","","","","","1.032","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010692","7.903","0.004","11.068","0.004","17.053","0.003","90","","90","","90","","1491.6","1","296","","","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C14 H10 Cu N2 O9 -","- C14 H10 Cu N2 O9 -","- C56 H40 Cu4 N8 O36 -","4","0.5","BM1356","Okabe, Nobuo; Oya, Naomi","Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2000","56","3","305","307","10.1107/S0108270199015565","","","0.71069","MoKα","","","0.081","","","","0.129","","","","","","1.03","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2010693","13.765","0.002","10.052","0.002","14.06","0.002","90","","116.554","0.008","90","","1740.2","0.5","296","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H14 N2 O11 Zn -","- C14 H14 N2 O11 Zn -","- C56 H56 N8 O44 Zn4 -","4","1","BM1356","Okabe, Nobuo; Oya, Naomi","Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2000","56","3","305","307","10.1107/S0108270199015565","","","0.71069","MoKα","","","0.058","","","","0.114","","","","","","1.36","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010694","9.512","0.003","20.472","0.01","14.412","0.003","90","","99.92","0.02","90","","2764.5","1.7","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aquatris(trans-2,3-dimethylacrylato)(1,10-phenanthroline)ytterbium(III)","","- C27 H31 N2 O7 Yb -","- C27 H31 N2 O7 Yb -","- C108 H124 N8 O28 Yb4 -","4","1","BM1371","Lu, Weimin; Wu, Bin; Wang, Lina; Lu, Yueqing","Aquatris(1,10-phenanthroline)(<i>trans</i>-2,3-dimethylacrylato)ytterbium(III)","Acta Crystallographica Section C","2000","56","3","316","318","10.1107/S0108270199016169","","","0.71069","MoKα","","","0.052","","","","0.063","","","","","","1.98","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010695","17.0016","0.001","10.654","0.001","15.9038","0.001","90","","90","","90","","2880.7","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine dimethylformamide","","- C12 H15 F N6 O -","- C12 H15 F N6 O -","- C96 H120 F8 N48 O8 -","8","2","BM1376","Janes, Robert W.","3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine‒dimethylformamide (1/1)","Acta Crystallographica Section C","2000","56","3","362","364","10.1107/S0108270199015607","","","1.54178","CuKα","","0.0824","0.0525","","","","0.1665","","","","","","1.129","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2010696","8.5144","0.0001","22.79","0.0003","29.9046","0.0003","90","","96.6","0.001","90","","5764.33","0.12","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-bis-(2-tosylaminobenzylidene)-1,2-ethanediamine","","- C30 H30 N4 O4 S2 -","- C30 H30 N4 O4 S2 -","- C240 H240 N32 O32 S16 -","8","1","BM1378","Mahía, José; Maestro, Miguel A.; Vázquez, Miguel; Bermejo, Manuel R.; González, Ana M.; Maneiro, Marcelino","<i>N,N</i>'-Bis(2-tosylaminobenzylidene)-1,2-ethanediamine","Acta Crystallographica Section C","2000","56","3","347","348","10.1107/S010827019901519X","","","0.71073","MoKα","","0.105","0.054","","","","0.127","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010697","6.2209","0.0006","11.9726","0.0013","15.0705","0.0012","90","","90","","90","","1122.46","0.19","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S/3R)-3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","BM1380","Gallagher, John F.; Brady, Fiona; Murphy, Carol","Intermolecular interactions in the chiral and racemic forms of 3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid derived from threonine","Acta Crystallographica Section C","2000","56","3","365","368","10.1107/S0108270199015619","","","0.7107","MoKα","","0.073","0.04","","","","0.096","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010698","5.9772","0.0007","14.3906","0.0012","13.4926","0.0016","90","","93.131","0.007","90","","1158.8","0.2","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2R/2S)-3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","BM1380","Gallagher, John F.; Brady, Fiona; Murphy, Carol","Intermolecular interactions in the chiral and racemic forms of 3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid derived from threonine","Acta Crystallographica Section C","2000","56","3","365","368","10.1107/S0108270199015619","","","0.7107","MoKα","","0.051","0.034","","","","0.086","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010699","13.408","0.007","13.277","0.004","13.577","0.006","90","","103.07","0.04","90","","2354.3","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-[2-(isopropylamino)-5-nitrophenyl]acetamide","","- C11 H15 N3 O3 -","- C11 H15 N3 O3 -","- C88 H120 N24 O24 -","8","2","BM1387","Clark, Ronald D.; Romero, Angela; Borbulevych, Oleg Ya.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Timofeeva, Tatiana V.","2-Amino derivatives of 5-nitrophenylacetamide","Acta Crystallographica Section C","2000","56","3","336","338","10.1107/S0108270199014985","","","0.71073","MoKα","","0.094","0.049","","0.149","","0.11","","","1.032","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010700","4.874","0.002","11.002","0.005","12.335","0.007","76.14","","82.27","","86.99","","636.2","0.5","193","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-[2-(butylamino)-5-nitrophenyl]acetamide","","- C12 H17 N3 O3 -","- C12 H17 N3 O3 -","- C24 H34 N6 O6 -","2","1","BM1387","Clark, Ronald D.; Romero, Angela; Borbulevych, Oleg Ya.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Timofeeva, Tatiana V.","2-Amino derivatives of 5-nitrophenylacetamide","Acta Crystallographica Section C","2000","56","3","336","338","10.1107/S0108270199014985","","","0.71073","MoKα","","0.171","0.068","","0.271","","0.141","","","1.014","","","1.103","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010701","4.786","0.001","13.03","0.003","8.727","0.002","90","","94.38","0.03","90","","542.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[2-(dimethylamino)-5-nitrophenyl]acetamide","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C20 H26 N6 O6 -","2","1","BM1387","Clark, Ronald D.; Romero, Angela; Borbulevych, Oleg Ya.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Timofeeva, Tatiana V.","2-Amino derivatives of 5-nitrophenylacetamide","Acta Crystallographica Section C","2000","56","3","336","338","10.1107/S0108270199014985","","","0.71073","MoKα","","0.052","0.034","","0.11","","0.085","","","1.041","","","1.061","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010702","14.1107","0.0002","15.5953","0.0002","16.6469","0.0002","90","","90","","90","","3663.33","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis-[N,N'-{2,4,6-trimethylphenyl}-1,2-ethanediylidenediamine]copper(I) tetrafluoroborate","","- C40 H48 B Cu F4 N4 -","- C40 H48 B Cu F4 N4 -","- C160 H192 B4 Cu4 F16 N16 -","4","1","BM1389","Caroline L. Foster; Colin A. Kilner; Mark Thornton-Pett; Malcolm A. Halcrow","Bis[<i>N</i>,<i>N</i>'-bis(2,4,6-trimethylphenyl)-1,2-ethanediylidenediamine]copper(I) tetrafluoroborate","Acta Crystallographica Section C","2000","56","3","319","320","10.1107/S0108270199015863","","","0.71073","MoKα","","0.0317","0.029","","","","0.0732","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010703","17.806","0.002","9.2562","0.0006","9.9337","0.0013","90","","105.955","0.006","90","","1574.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","tetratintetracosamolybdenumoctatriacontaoxide","","- Mo24 O38 Sn4.4 -","- Mo24 O38 Sn4.402 -","- Mo48 O76 Sn8.804 -","2","0.5","BR1252","Barrier, N.; Tortelier, J.; Gougeon, P.","Sn~4.4~Mo~24~O~38~","Acta Crystallographica Section C","2000","56","3","269","271","10.1107/S0108270199015127","","","0.71073","MoKα","","0.045","0.032","","","","0.077","","","","","","1.252","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010704","3.8274","0.0006","7.1591","0.0011","8.7756","0.0013","87.595","0.002","82.735","0.002","75.639","0.002","231.06","0.06","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- Cd Cl4 Cu H8 O4 -","- Cd Cl4 Cu H8 O4 -","- Cd Cl4 Cu H8 O4 -","1","0.5","BR1267","Kortz, Ulrich; Dickman, Michael H.","Cadmium copper tetrachloride tetrahydrate","Acta Crystallographica Section C","2000","56","3","265","266","10.1107/S0108270199013712","","","0.71073","MoKα","","0.029","0.027","","","","0.071","","","","","","1.074","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010705","8.73","0.002","10.189","0.002","7.147","0.001","90","","100.02","0.03","90","","626","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","manganese(II) nicotinate","Poly[trans-diaquamanganese(II)-μ-(3-pyridinecarboxylato-N:O)-μ-(3-pyridine- carboxylato-O:N)]","","- C12 H12 Mn N2 O6 -","- C12 H12 Mn N2 O6 -","- C24 H24 Mn2 N4 O12 -","2","0.5","BR1271","Hao, Xiang; Wei, Yong-Ge; Liu, Qun; Zhang, Shi-Wei","Poly[<i>trans</i>-diaquamanganese(II)-μ-(3-pyridinecarboxylato-<i>N</i>:<i>O</i>)-μ-(3-pyridinecarboxylato-<i>O</i>:<i>N</i>)]","Acta Crystallographica Section C","2000","56","3","296","298","10.1107/S0108270199015358","","","0.71069","MoKα","","0.0509","0.0384","","","","0.1079","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010706","9.423","0.001","9.423","0.001","36.945","0.008","90","","90","","120","","2841","0.7","298","","298","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Ba3 H6 O24 P6 V2 -","- Ba3 H6 O24 P6 V2 -","- Ba18 H36 O144 P36 V12 -","6","0.166667","BR1277","Harrison, William T. A.; Buttery, Jarrod H.","Barium vanadium(III) hydrogen phosphate, Ba~3~V~2~(HPO~4~)~6~","Acta Crystallographica Section C","2000","56","3","274","275","10.1107/S0108270199015735","","","0.71073","MoKα","","","0.047","","","","0.049","","","","","","1.06","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010707","12.2522","0.0009","13.8727","0.001","22.2931","0.0016","79.743","0.001","80.829","0.001","64.077","0.001","3339.2","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H22 Al B2 Cl F40 Li2 N2 -","- C70 H22 Al B2 Cl F40 Li2 N2 -","- C140 H44 Al2 B4 Cl2 F80 Li4 N4 -","2","1","DA1092","Guzei, Ilia A.; Radzewich, Catherine E.; Jordan, Richard F.","Halocarbon and arene coordination of lithium(I) in (1-anilino-3-phenyliminopropenyl)chloro(methyl)aluminium bis{[tetrakis(pentafluorophenyl)borato]lithium} benzene solvate","Acta Crystallographica Section C","2000","56","3","279","281","10.1107/S0108270199012135","","","0.71073","MoKα","","0.089","0.043","","","","0.094","","","","","","0.933","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010708","6.3714","0.0009","10.56","0.002","11.61","0.003","90","","98.616","0.014","90","","772.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid","","- C8 H10 O3 -","- C8 H10 O3 -","- C32 H40 O12 -","4","1","FG1572","Wong, Jesse K.; Macalintal, Rose Ann R.; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid and (±)-7-oxobicyclo[2.2.1]hept-5-ene-2-<i>endo</i>-carboxylic acid: hydrogen bonding in two norbornyl keto acids","Acta Crystallographica Section C","2000","56","3","371","373","10.1107/S0108270199015747","","","0.71073","MoKα","","0.074","0.047","","","","0.117","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010709","6.0039","0.0009","10.5565","0.0014","22.151","0.002","90","","90","","90","","1403.9","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(±)-7-oxobicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","FG1572","Wong, Jesse K.; Macalintal, Rose Ann R.; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid and (±)-7-oxobicyclo[2.2.1]hept-5-ene-2-<i>endo</i>-carboxylic acid: hydrogen bonding in two norbornyl keto acids","Acta Crystallographica Section C","2000","56","3","371","373","10.1107/S0108270199015747","","","0.71073","MoKα","","0.082","0.048","","","","0.136","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010710","6.326","0.0003","31.465","0.002","7.668","0.0004","90.264","0.001","95.891","0.001","90.154","0.001","1518.21","0.14","173","2","","","","","","","","","","5","P 1","P 1","1","","4-Chloroacetophenone [1-(4-methoxyphenyl)ethylidene]hydrazone","","- C17 H17 Cl N2 O -","- C17 H16.25 Cl N2 O -","- C68 H65 Cl4 N8 O4 -","4","4","FR1211","Lewis, Michael; Barnes, Charles L.; Glaser, Rainer","4-Chloroacetophenone [1-(4-methoxyphenyl)ethylidene]hydrazone","Acta Crystallographica Section C","2000","56","3","393","396","10.1107/S0108270199011737","","","0.71073","MoKα","","","0.05","","","","0.13","","","","","","1.108","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010711","18.055","0.006","14.661","0.005","17.598","0.006","90","","116.12","0.05","90","","4183","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Trans-(2-methylthiobenzoato)phenylbis(triphenylphosphine)palladium(II)]","","- C50 H42 O2 P2 Pd S -","- C50 H42 O2 P2 Pd S -","- C200 H168 O8 P8 Pd4 S4 -","4","1","FR1231","Kruger, Gert J.; Thompson, Catharine; Meyer, Wolfgang H.; Brüll, Robert; Raubenheimer, Helgard G.","<i>trans</i>-(2-Methylthiobenzoato-<i>O</i>)phenylbis(triphenylphosphine)palladium(II), two conformational isomers","Acta Crystallographica Section C","2000","56","3","329","331","10.1107/S0108270199015449","","","0.71073","MoKα","","0.085","0.044","","","","0.093","","","","","","0.999","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010712","12.5741","0.0006","20.5817","0.0009","16.0672","0.0008","90","","99.186","0.001","90","","4104.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Trans-(2-methylthiobenzoato)phenylbis(triphenylphosphine)palladium(II)]","","- C50 H42 O2 P2 Pd S -","- C50 H42 O2 P2 Pd S -","- C200 H168 O8 P8 Pd4 S4 -","4","1","FR1231","Kruger, Gert J.; Thompson, Catharine; Meyer, Wolfgang H.; Brüll, Robert; Raubenheimer, Helgard G.","<i>trans</i>-(2-Methylthiobenzoato-<i>O</i>)phenylbis(triphenylphosphine)palladium(II), two conformational isomers","Acta Crystallographica Section C","2000","56","3","329","331","10.1107/S0108270199015449","","","0.71073","MoKα","","0.061","0.044","","","","0.108","","","","","","1.042","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010713","9.8574","0.0006","10.9503","0.0006","16.5057","0.001","100.142","0.001","95.803","0.001","96.244","0.001","1730.19","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","[(2-isopropylthio)benzoato-O,S]phenyl(triphenylphosphine)palladium(II) tetrahydrofuran solvate","","- C38 H39 O3 P Pd S -","- C37.996 H38.992 O2.999 P Pd S -","- C75.992 H77.984 O5.998 P2 Pd2 S2 -","2","1","FR1232","Thompson, Catharine; Kruger, Gert J.; Meyer, Wolfgang H.; Brüll, Robert; Raubenheimer, Helgard G.","[2-(Isopropylthio)benzoato-<i>O</i>,<i>S</i>]phenyl(triphenylphosphine)palladium(II) tetrahydrofuran solvate","Acta Crystallographica Section C","2000","56","3","332","333","10.1107/S0108270199016480","","","0.71073","MoKα","","0.048","0.041","","","","0.097","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2010714","10.405","0.002","11.524","0.002","9.177","0.002","113.44","0.01","113.94","0.02","93.94","0.02","887.3","0.4","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","FR1233","Trujillo, Hernando A.; Simon, Wendy M.; Pelkey, Erin T.; Gribble, Gordon W.; Jasinski, Jerry P.","A novel class of fused heterocycles, benzo[<i>b</i>]furo[2,3-<i>c</i>]pyrroles","Acta Crystallographica Section C","2000","56","3","386","388","10.1107/S0108270199016492","","","0.7107","MoKα","","0.22","0.049","","0.207","","0.225","","","1.03","","","1.03","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010715","9.956","0.001","11.329","0.002","8.939","0.002","109.89","0.01","107.06","0.01","69.47","0.01","870.4","0.3","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","FR1233","Trujillo, Hernando A.; Simon, Wendy M.; Pelkey, Erin T.; Gribble, Gordon W.; Jasinski, Jerry P.","A novel class of fused heterocycles, benzo[<i>b</i>]furo[2,3-<i>c</i>]pyrroles","Acta Crystallographica Section C","2000","56","3","386","388","10.1107/S0108270199016492","","","0.7107","MoKα","","0.172","0.045","","0.15","","0.197","","","1.04","","","1.04","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010716","6.5848","0.0015","9.991","0.004","19.688","0.006","90","","93.31","0.03","90","","1293.1","0.7","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(N-Maleoylglycinate)trimethyltin(IV)","(N-Maleoylglycinate)trimethyltin(IV)","","- C9 H13 N O4 Sn -","- C9 H13 N O4 Sn -","- C36 H52 N4 O16 Sn4 -","4","1","FR1244","Parvez, Masood; Bhatti, Moazzam Hussain; Ali, Saqib; Mazhar, Muhammad; Qureshi, Sajid Iqbal","(<i>N</i>-Maleoylglycinato)trimethyltin(IV)","Acta Crystallographica Section C","2000","56","3","327","328","10.1107/S0108270199016510","","","0.71069","MoKα","","0.0689","0.041","","","","0.147","","","","","","1.202","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010717","9.3933","0.0007","9.3963","0.0007","30.329","0.002","90","","90","","90","","2676.9","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C112 H160 O32 -","8","2","FR1250","Guzei, Ilia A.; Wang, Xuemei; Kraus, George A.","An angularly fused three-ring precursor to phytuberin","Acta Crystallographica Section C","2000","56","3","389","390","10.1107/S0108270199016522","","","0.71073","MoKα","","0.0575","0.038","","","","0.079","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010718","11.016","0.0012","23.084","0.003","9.9323","0.0012","90","","98.977","0.009","90","","2494.8","0.5","173","","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-ethyl, aza,tribenzo-21-crown-7","","","- C28 H33 N O6 -","- C28 H33 N O6 -","- C112 H132 N4 O24 -","4","1","FR1254","Bryan, Jeffrey C.; Lavis, Jerôme M.; Hay, Benjamin P.; Sachleben, Richard A.","<i>N</i>-Ethylazatribenzo-21-crown-7","Acta Crystallographica Section C","2000","56","3","391","392","10.1107/S0108270199016534","","","0.71073","MoKα","","0.066","0.04","","","","0.11","","","","","","1.03","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010719","19.178","0.004","10.988","0.003","28.728","0.007","90","","101.75","0.02","90","","5927","3","85","","85","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(2,3,4,5,1',2',3',4'-octamethylferrocenium-1-yl)- 3-(ruthenocenyl)allylium bis-tetrafluoroborate","","- C31 H37 B2 F8 Fe Ru -","- C31 H37 B2 F8 Fe Ru -","- C248 H296 B16 F64 Fe8 Ru8 -","8","2","GD1066","Barlow, Stephen; Day, Michael W.; Marder, Seth R.","The one-electron oxidation product of a metallocenyl-terminated cyanine","Acta Crystallographica Section C","2000","56","3","303","304","10.1107/S0108270199015462","","","0.71073","MoKα","","0.0858","0.0515","","","","0.0951","","","","","","1.751","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010720","14.622","0.003","10.656","0.004","9.216","0.004","112.72","0.03","91.29","0.03","89.68","0.03","1324.2","0.9","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H60 N6 O18 P6 -","- C42 H60 N6 O18 P6 -","- C42 H60 N6 O18 P6 -","1","0.5","GS1058","Marouni, Houda; Rzaigui, Mohamed; Bagieu-Beucher, Muriel","(<i>m</i>-CH~3~C~6~H~4~NH~3~)~6~P~6~O~18~","Acta Crystallographica Section C","2000","56","3","356","357","10.1107/S0108270199015280","","","0.7107","MoKα","","0.0347","0.035","","0.05","","0.05","","","1.28","","","1.28","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010721","12.18","0.001","12.18","0.001","12.18","0.001","90","","90","","90","","1806.9","0.3","160","2","160","2","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","","hexaammonium tetra-μ~3~-selenido-tetrakis[tricyanomolybdenum] hexahydrate","","- C12 H36 Mo4 N18 O6 Se4 -","- C12 H36 Mo4 N18 O6 Se4 -","- C24 H72 Mo8 N36 O12 Se8 -","2","0.0416667","GS1060","Virovets, Alexander V.; Fedin, Vladimir P.; Samsonenko, Denis G.; Clegg, William","A new cluster complex, (NH~4~)~6~[Mo~4~Se~4~(CN)~12~]·6H~2~O, containing a tetranuclear mixed-valence molybdenum core","Acta Crystallographica Section C","2000","56","3","272","273","10.1107/S0108270199015644","","","0.71073","MoKα","","0.08","0.068","","","","0.184","","","","","","1.48","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010722","8.869","0.002","9.836","0.002","12.225","0.006","90","","91.4","0.03","90","","1066.1","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1S,4R,5R,6R)-(6-(methoxycarbonyl)-2-(pivaloyloxymethyl)-4- (pivaloyloxy)bicyclo[3.1.0]hex-2-en-1-yl)-1-carboxylic acid","","- C20 H28 O8 -","- C20 H28 O8 -","- C40 H56 O16 -","2","1","GS1062","Chiaroni, Angèle; Riche, Claude; Cachet, Xavier; Deguin, Brigitte; Koch, Michel; Tillequin, François","(1<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-6-Methoxycarbonyl-4-pivaloyloxy-2-(pivaloyloxymethyl)bicyclo[3.1.0]hex-2-ene-1-carboxylic acid","Acta Crystallographica Section C","2000","56","3","358","359","10.1107/S0108270199015309","","","1.5418","CuKα","","0.0428","0.0398","","0.1104","","0.1075","","","1.055","","","1.055","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010723","13.394","0.003","7.598","0.0009","5.066","0.002","90","","127.23","0.02","90","","410.5","0.2","293","2","293","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Iron-Zinc (1:13) alloy","","- Fe Zn13 -","- Fe Zn13 -","- Fe2 Zn26 -","2","0.25","GS1065","Belin, Renaud; Tillard, Monique; Monconduit, Laure","Redetermination of the iron‒zinc phase FeZn~13~","Acta Crystallographica Section C","2000","56","3","267","268","10.1107/S0108270199014997","","","0.71069","MoKα","","0.0751","0.0417","","","","0.1092","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010724","20.376","0.001","13.0504","0.0008","15.887","0.0009","90","","110.491","0.001","90","","3957.3","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bpbpH5(Cl2)(ClO4)2","","","- C36 H44.264 Cl4 N6 O9.132 -","- C36 H44.264 Cl4 N6 O9.132 -","- C144 H177.056 Cl16 N24 O36.528 -","4","1","GS1067","Gomes, Jonnes Taylor; Hazell, Alan; McKenzie, Christine J.","2,6-Bis[bis(2-pyridiniomethyl)aminomethyl]-4-<i>tert</i>-butylphenol dichloride diperchlorate hydrate","Acta Crystallographica Section C","2000","56","3","382","383","10.1107/S0108270199016315","","","0.71073","MoKα","","","0.033","","","","0.037","","","","","","1.078","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2010725","8.5424","0.0008","18.089","0.002","9.3202","0.0009","90","","90.898","0.011","90","","1440","0.3","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","bis(4-methylphenyl)maleonitrile","cis-α,α'-Dicyan-4,4'-dimethyl-stilben","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","GS1070","Faulmann, Christophe; Cassoux, Patrick; Pullen, Anthony E.","A new precursor for the synthesis of porphyrazine: 2,3-bis(4-methylphenyl)maleonitrile","Acta Crystallographica Section C","2000","56","3","384","385","10.1107/S0108270199016479","","","0.71073","MoKα","","0.0735","0.0375","","","","0.0997","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010726","6.374","0.001","10.588","0.002","11.303","0.002","71.35","0.03","78.45","0.03","85.97","0.03","708.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,2R,4S,5-tetraammonio-3-amino-pentane tetrachloride - hydrate","","- C5 H23 Cl4 N5 O -","- C5 H23 Cl4 N5 O -","- C10 H46 Cl8 N10 O2 -","2","1","JZ1372","Guido J. Reiss; Anja Zimmer; Kaspar Hegetschweiler","Protonation products of pentaaminopentane as novel building blocks for hydrogen-bonded networks","Acta Crystallographica Section C","2000","56","3","284","288","10.1107/S0108270199015024","","","0.71073","MoKα","","0.035","0.0278","","","","0.0751","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010727","7.255","0.004","10.893","0.006","12.173","0.006","107.49","0.04","91.52","0.04","96.67","0.04","909.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1,2R,3,4S,5-pentaammonio-pentane trichloride tetrachlorozinkate - hydrate","","- C5 H24 Cl7 N5 O Zn -","- C5 H24 Cl7 N5 O Zn -","- C10 H48 Cl14 N10 O2 Zn2 -","2","1","JZ1372","Guido J. Reiss; Anja Zimmer; Kaspar Hegetschweiler","Protonation products of pentaaminopentane as novel building blocks for hydrogen-bonded networks","Acta Crystallographica Section C","2000","56","3","284","288","10.1107/S0108270199015024","","","0.71073","MoKα","","0.0273","0.0266","","","","0.0717","","","","","","1.06","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010728","10.8157","0.0007","21.6466","0.0006","14.354","0.002","90","","95.114","0.008","90","","3347.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,2'-bipyridine bis{[(4-methylphenyl) sulfonyl]-2-pyridyl-amide}zinc(II)","","- C34 H30 N6 O4 S2 Zn -","- C34 H30 N6 O4 S2 Zn -","- C136 H120 N24 O16 S8 Zn4 -","4","1","JZ1373","Cabaleiro, Santiago; Castro, Jesús; Romero, Jaime; García-Vázquez, José A.; Sousa, Antonio","(2,2'-Bipyridine-κ^2^<i>N</i>)bis[<i>N</i>-(2-pyridyl-κ<i>N</i>)-<i>p</i>-toluenesulfonamido-κ<i>N</i>]zinc(II)","Acta Crystallographica Section C","2000","56","3","293","295","10.1107/S010827019901536X","","","1.54184","CuKα","","0.0946","0.0443","","","","0.1365","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010729","9.6111","0.0009","11.5199","0.0012","11.5621","0.0012","84.458","0.001","77.829","0.001","74.138","0.001","1202.7","0.2","168","2","168","2","","","","","","","","3","P -1","-P 1","2","4,4-Diphenyl-6-(2,2-diphenyl-1-hydroxyethyl)-2-cyclohexen-1-one","4,4-Diphenyl-6-(2,2-diphenyl-1-hydroxyethyl)-2-cyclohexen-1-one","","- C32 H28 O2 -","- C32 H28 O2 -","- C64 H56 O4 -","2","1","JZ1380","Kumar, V.S. Senthil; Nangia, Ashwini","6-(1-Hydroxy-2,2-diphenylethyl)-4,4-diphenyl-2-cyclohexen-1-one","Acta Crystallographica Section C","2000","56","3","360","361","10.1107/S010827019901553X","","","0.71073","MoKα","","0.0495","0.0345","","","","0.0929","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010730","19.289","0.001","7.074","0.0006","14.575","0.002","90","","113.448","0.009","90","","1824.5","0.3","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H16 La2 O17 -","- C9 H14 La2 O17.002 -","- C36 H56 La8 O68.008 -","4","0.5","LN1092","Benmerad, Belkacem; Guehria-Laïdoudi, Achoura; Bernardinelli, Gérald; Balegroune, Fadila","Polymeric tetraaquatris(malonato)dilanthanum(III) monohydrate","Acta Crystallographica Section C","2000","56","3","321","323","10.1107/S0108270199016182","","","0.71073","MoKα","","","0.022","","","","0.028","","","","","","1.162","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010731","15.922","0.002","16.7908","0.0016","16.453","0.004","90","","90","","90","","4398.6","1.3","288","2","288","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C44 H62 N2 O12 -","- C44 H62 N2 O12 -","- C176 H248 N8 O48 -","4","0.5","NA1433","Kim, Jong Seung; Jensen, William P.; Lee, Chang-Hee; Lee, Jin-Ho; Kim, Moon-Jib; Kim, Jin-Gyu; Suh, Il-Hwan","25,27:26,28-Bis(3,9-dioxa-6-azaundecane-1,11-dioxy)calix[4]arene tetrahydrate","Acta Crystallographica Section C","2000","56","3","379","381","10.1107/S0108270199016327","","","0.71069","MoKα","","0.1239","0.0665","","","","0.205","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010732","11.839","0.002","9.108","0.002","21.319","0.004","90","","90","","90","","2298.8","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","poly[bis[copper(I)-μ-(4,4'-bipyridyl)-N:N']-μ-dimolybdato-O:O']","","- C20 H16 Cu2 Mo2 N4 O7 -","- C20 H16 Cu2 Mo2 N4 O7 -","- C80 H64 Cu8 Mo8 N16 O28 -","4","0.5","NA1440","You, Wan-Sheng; Wang, En-Bo; Xu, Lin; Hu, Chang-Wen; Luan, Guo-You","Chains of (4,4'-bipyridyl)copper(I) bridged by dimolybdate units","Acta Crystallographica Section C","2000","56","3","289","290","10.1107/S0108270199015036","","","0.71073","MoKα","","0.041","0.028","","0.069","0.066","","","","0.899","0.994","0.994","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010733","13.9828","0.0003","9.6029","0.0002","14.0432","0.0002","90","","113.764","0.0013","90","","1725.78","0.06","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dichlorodiethylbis(pyridine)tin(IV)","","- C14 H20 Cl2 N2 Sn -","- C14 H20 Cl2 N2 Sn -","- C56 H80 Cl8 N8 Sn4 -","4","0.5","NA1442","Casas, José S.; García-Martínez, Emilia; Sánchez-González, Angeles; Sordo, José; Villar, Roberto","Dichlorodiethylbis(pyridine-<i>N</i>)tin(IV)","Acta Crystallographica Section C","2000","56","3","299","300","10.1107/S0108270199015371","","","0.71073","MoKα","","0.0607","0.0316","","","","0.0766","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010734","7.832","0.0016","25.703","0.005","8.984","0.0018","90","","111.38","0.03","90","","1684.1","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-dichloro-trans-dimethyl-cis-bis(N-methylpyrrolidin-2-one-O)tin(IV)","","- C12 H24 Cl2 N2 O2 Sn -","- C12 H24 Cl2 N2 O2 Sn -","- C48 H96 Cl8 N8 O8 Sn4 -","4","1","NA1448","König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel","Complexes of dimethyltin dihalides with <i>N</i>-methylpyrrolidinone, C~12~H~24~N~2~O~2~<i>X</i>~2~Sn (<i>X</i> = Cl, Br or I)","Acta Crystallographica Section C","2000","56","3","324","326","10.1107/S0108270199016388","","","0.71073","MoKα","","0.028","0.02","","","","0.05","","","","","","0.984","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010735","7.475","0.0015","8.03","0.0016","14.977","0.003","90","","91.98","0.03","90","","898.4","0.3","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","cis-dibromo-trans-dimethyl-cis-bis(N-methylpyrrolidin-2-one-O)tin(IV)","","- C12 H24 Br2 N2 O2 Sn -","- C12 H24 Br2 N2 O2 Sn -","- C24 H48 Br4 N4 O4 Sn2 -","2","1","NA1448","König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel","Complexes of dimethyltin dihalides with <i>N</i>-methylpyrrolidinone, C~12~H~24~N~2~O~2~<i>X</i>~2~Sn (<i>X</i> = Cl, Br or I)","Acta Crystallographica Section C","2000","56","3","324","326","10.1107/S0108270199016388","","","0.71073","MoKα","","0.04","0.038","","","","0.104","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010736","7.396","0.001","8.327","0.002","15.406","0.003","90","","90.31","0.03","90","","948.8","0.3","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","cis-diiodo-trans-dimethyl-cis-bis(N-methylpyrrolidin-2-one-O)tin(IV)","","- C12 H24 I2 N2 O2 Sn -","- C12 H24 I2 N2 O2 Sn -","- C24 H48 I4 N4 O4 Sn2 -","2","1","NA1448","König, Uwe-Christoph; Berkei, Michael; Neikes, Frank; Preut, Hans; Mitchell, Terence Nigel","Complexes of dimethyltin dihalides with <i>N</i>-methylpyrrolidinone, C~12~H~24~N~2~O~2~<i>X</i>~2~Sn (<i>X</i> = Cl, Br or I)","Acta Crystallographica Section C","2000","56","3","324","326","10.1107/S0108270199016388","","","0.71069","MoKα","","0.03","0.024","","","","0.043","","","","","","0.946","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010737","23.802","0.004","8.955","0.001","13.82","0.002","90","","97.55","0.01","90","","2920.2","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,2'-dipyridyl sulfide-N,N')hydroxybis(nitrito-O)(nitrosyl-O)ruthenium(II)","","- C10 H9 N5 O6 Ru S -","- C10 H9 N5 O6 Ru S -","- C80 H72 N40 O48 Ru8 S8 -","8","1","OS1084","Bruno, Giuseppe; Nicoló, Francesco; Tresoldi, Giuseppe","(2,2'-Dipyridyl sulfide-<i>N</i>,<i>N</i>')hydroxybis(nitrito-<i>O</i>)(nitrogen monoxide-<i>N</i>)ruthenium(III)","Acta Crystallographica Section C","2000","56","3","282","283","10.1107/S0108270199014687","","","0.71073","MoKα","","0.043","0.028","","","","0.064","","","","","","0.879","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010738","8.043","0.001","17.482","0.004","15.237","0.003","90","","102.3","0.01","90","","2093.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Diaqua(C-meso-5,12-dimethyl-1,4,8,11- tetraazacyclotetradecane-N,N',N'',N''')copper(II) dichloride dihydrate","","- C12 H36 Cl2 Cu N4 O4 -","- C12 H36 Cl2 Cu N4 O4 -","- C48 H144 Cl8 Cu4 N16 O16 -","4","1","OS1090","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun","<i>trans</i>-Diaqua(<i>C</i>-<i>meso</i>-5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')copper(II) dichloride dihydrate","Acta Crystallographica Section C","2000","56","3","301","302","10.1107/S0108270199015474","","","0.71073","MoKα","","0.041","0.028","","","","0.076","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010739","11.848","0.003","11.015","0.004","12.313","0.004","90","","109.01","0.03","90","","1519.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-methyl-1,4-thiazino[2,3-c;6,5-c']diquinoline","","- C19 H13 N3 S -","- C19 H13 N3 S -","- C76 H52 N12 S4 -","4","1","OS1091","Pluta, Krystian; Suwińska, Kinga","Azinyl sulfides. L. 14-Methyl-1,4-thiazino[2,3-<i>c</i>;6,5-<i>c</i>']diquinoline","Acta Crystallographica Section C","2000","56","3","374","375","10.1107/S0108270199015759","","","0.71073","MoKα","","0.076","0.042","","0.138","","0.109","","","1.032","","","1.14","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010740","9.707","0.0005","11.575","0.0006","11.592","0.0007","71.333","0.003","85.678","0.004","73.601","0.003","1183.58","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4,5-bis[(2-hydroxyethyl)thio]-2-{4,5-bis[(2-hydroxyethyl)thio]-1,3-dithiol-2- ylidene}-1,3-dithiole","","- C14 H20 B F4 O4 S8 -","- C14 H20 B F4 O4 S8 -","- C28 H40 B2 F8 O8 S16 -","2","1","QA0207","Yao, Youxin; Zeng, Wenju; Zhang, Bin; Liu, Yunqi; Zhu, Daoben","2,3,4,5-Tetrakis[(2-hydroxyethyl)thio]tetrathiafulvalene tetrafluoroborate","Acta Crystallographica Section C","2000","56","3","e90","e91","10.1107/S0108270100001219","","","0.71073","MoKα","","0.06","0.055","","","","0.149","","","","","","1.075","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010741","7.699","0.002","9.341","0.002","12.934","0.003","77.77","0.03","78.52","0.03","69.09","0.03","841.4","0.4","153","","153","","","","","","","","","4","P -1","-P 1","2","tetramethylethyliden- bis(cyclopentadienyl)zirconiumbis(tetrahydroborate)'","","","- C16 H28 B2 Zr -","- C16 H28 B2 Zr -","- C32 H56 B4 Zr2 -","2","1","QA0209","Schaper, Frank; Brintzinger, Hans-Herbert","[{Me~4~C~2~(C~5~H~4~)~2~}Zr(BH~4~)~2~], a bis(tetrahydroborate) complex of a bridged zirconocene","Acta Crystallographica Section C","2000","56","3","e78","e78","10.1107/S0108270100002250","","","0.71073","MoKα","","0.027","0.023","","","","0.058","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010742","15.975","0.002","15.773","0.002","17.142","0.002","90","","100.51","0.01","90","","4246.9","0.9","293","","293","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","2,2'-(9,9-dihexyl)bifluorene","","- C50 H66 -","- C50 H66 -","- C200 H264 -","4","1","QA0213","Suchod, Bernadette; Stéphan, Olivier","2,2'-Bi(9,9-dihexylfluorene)","Acta Crystallographica Section C","2000","56","3","e92","e93","10.1107/S0108270100001499","","","0.71073","MoKα","","0.158","0.1","","0.043","","0.039","","","1.267","","","1.511","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010743","11.85","0.003","10.913","0.004","17.506","0.002","90","","107.76","0.01","90","","2156","1","298.2","","298.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sparfloxacin","","","- C19 H28 F2 N4 O6 -","- C19 H28 F2 N4 O6 -","- C76 H112 F8 N16 O24 -","4","1","QA0214","Sivalakshmidevi, A.; Vyas, K.; Om Reddy, G.","Sparfloxacin, an antibacterial drug","Acta Crystallographica Section C","2000","56","3","e115","e116","10.1107/S0108270100002523","","","1.5418","CuKα","","0.067","0.059","","0.111","","0.108","","","1.909","","","1.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010744","6.7837","0.0013","9.0268","0.0011","13.237","0.002","90","","101.02","0.02","90","","795.6","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Pyridinium-dihydrohenmonothiophosphate","","- C5 H8 N O3 P S -","- C5 H8 N O3 P S -","- C20 H32 N4 O12 P4 S4 -","4","1","QA0216","Ziemer, Burkhard; Rabis, Annegrit","Pyridinium dihydrogenmonothiophosphate","Acta Crystallographica Section C","2000","56","3","e94","e94","10.1107/S0108270100001517","","","0.71073","MoKα","","0.037","0.029","","","","0.077","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010745","13.26","0.02","6.677","0.007","10.766","0.007","90","","90","","90","","953.2","1.9","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","RTA","","","- As O5 Rb Ti -","- As O5 Rb Ti -","- As8 O40 Rb8 Ti8 -","8","2","QA0218","Nordborg, Jenni; Svensson, Göran; Albertsson, Jörgen","A single-crystal neutron diffraction study of RbTiOAsO~4~","Acta Crystallographica Section C","2000","56","3","e73","e74","10.1107/S0108270100001505","","neutron","1.207","neutron","","0.036","0.034","","0.033","","0.033","","","1.363","","","1.361","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010746","10.029","0.002","10.029","0.002","10.029","0.002","90","","90","","90","","1008.7","0.3","173","2","173","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cl2 H18 N6 Ni -","- Cl2 H18 N6 Ni -","- Cl8 H72 N24 Ni4 -","4","0.0208333","QA0219","Wagner, Matthias; Lerner, Hans-Wolfram; Bolte, Michael","Redetermination of [Ni(NH~3~)~6~]Cl~2~ at 173K","Acta Crystallographica Section C","2000","56","3","e77","e77","10.1107/S0108270100002262","","","0.71073","MoKα","","0.013","0.013","","","","0.033","","","","","","1.319","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010747","8.5893","0.0006","10.3543","0.0006","10.9893","0.0006","69.194","0.005","87.122","0.005","66.172","0.005","830.75","0.1","293","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H20 K4 Na2 O38 V10 -","- H20 K4 Na2 O38 V10 -","- H20 K4 Na2 O38 V10 -","1","0.5","QA0220","Matias, Pedro M.; Pessoa, João C.; Duarte, Maria Teresa; Madeira, Catarina","Tetrapotassium disodium decavanadate(V) decahydrate","Acta Crystallographica Section C","2000","56","3","e75","e76","10.1107/S0108270100001530","","","0.71069","MoKα","","0.033","0.028","","","","0.074","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010748","11.2341","0.0017","6.8536","0.0011","13.0566","0.0012","90","","97.307","0.009","90","","997.1","0.2","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide","","- C7 H10 Cl2 O3 S -","- C7 H10 Cl2 O3 S -","- C28 H40 Cl8 O12 S4 -","4","1","QA0222","Brewer, A. David; Ferguson, George; Znotins, Andrew A.","7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide and 6-chloro-2,3-dihydro-7-methyl-5-methylene-2<i>H</i>,3<i>H</i>,5<i>H</i>-1,4-dithiepine 1,1,4,4-tetraoxide","Acta Crystallographica Section C","2000","56","3","e109","e110","10.1107/S0108270100002286","","","0.71073","MoKα","","0.042","0.029","","","","0.075","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010749","8.0689","0.0008","8.1209","0.001","9.9329","0.0014","92.01","0.011","110.855","0.011","119.21","0.011","513.19","0.14","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","6-chloro-2,3-dihydro-7-methyl-5-methylene-2H,3H,5H-1,4-dithiepine 1,1,4,4-tetraoxide","","- C7 H9 Cl O4 S2 -","- C7 H9 Cl O4 S2 -","- C14 H18 Cl2 O8 S4 -","2","1","QA0222","Brewer, A. David; Ferguson, George; Znotins, Andrew A.","7,7-Dichloro-1,6-dimethyl-2-oxa-5-thiabicyclo[4.1.0]heptane 5,5-dioxide and 6-chloro-2,3-dihydro-7-methyl-5-methylene-2<i>H</i>,3<i>H</i>,5<i>H</i>-1,4-dithiepine 1,1,4,4-tetraoxide","Acta Crystallographica Section C","2000","56","3","e109","e110","10.1107/S0108270100002286","","","0.71073","MoKα","","0.031","0.029","","","","0.076","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010750","5.245","0.002","16.915","0.002","10.461","0.002","90","","101.21","0.02","90","","910.4","0.4","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-diaqua-bis(N-acetylanthranilato-O,O')copper(II)","","- C18 H20 Cu N2 O8 -","- C18 H20 Cu N2 O8 -","- C36 H40 Cu2 N4 O16 -","2","0.5","QA0223","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","<i>trans</i>-Diaquabis(<i>N</i>-acetylanthranilato-<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2000","56","3","e79","e79","10.1107/S0108270100002274","","","0.71073","MoKα","","","0.052","","","","0.058","","","","","","1.404","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010751","9.633","0.002","10.665","0.001","9.03","0.002","112.28","0.01","110.19","0.02","83.72","0.01","805.5","0.3","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H44 Cu2 O10 -","- C24 H44 Cu2 O10 -","- C24 H44 Cu2 O10 -","1","0.5","QA0224","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Tokii, Tadashi","<i>catena</i>-Poly[[tetrakis(μ-2,2-dimethylpropionato-<i>O</i>:<i>O</i>')dicopper(II)]-μ-dioxane-<i>O</i>:<i>O</i>'] and <i>catena</i>-poly[[tetrakis(μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>')dicopper(II)]-μ-dioxane-<i>O</i>,<i>O</i>']","Acta Crystallographica Section C","2000","56","3","e80","e81","10.1107/S0108270100002304","","","0.71073","MoKα","","","0.051","","","","0.07","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010752","10.08","0.001","11.308","0.002","8.952","0.001","113.3","0.01","108.92","0.01","84.64","0.01","885.8","0.2","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H52 Cu2 O10 -","- C28 H52 Cu2 O10 -","- C28 H52 Cu2 O10 -","1","0.5","QA0224","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Tokii, Tadashi","<i>catena</i>-Poly[[tetrakis(μ-2,2-dimethylpropionato-<i>O</i>:<i>O</i>')dicopper(II)]-μ-dioxane-<i>O</i>:<i>O</i>'] and <i>catena</i>-poly[[tetrakis(μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>')dicopper(II)]-μ-dioxane-<i>O</i>,<i>O</i>']","Acta Crystallographica Section C","2000","56","3","e80","e81","10.1107/S0108270100002304","","","0.71073","MoKα","","","0.041","","","","0.075","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010753","6.4262","0.0003","11.0841","0.0004","12.9142","0.0005","90","","90","","90","","919.86","0.06","110","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R)-1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","QB0154","Kumaradhas, P; Levendis, D. C.; Koritsanszky, T.","The low-temperature study of <small>D</small>- and <small>DL</small>-camphoric anhydride","Acta Crystallographica Section C","2000","56","3","e103","e104","10.1107/S0108270100001840","","","0.71073","MoKα","","0.029","0.029","","0.073","","0.072","","","1.109","","","1.109","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010754","6.4152","0.0004","11.4413","0.0008","12.5623","0.0008","90","","91.968","","90","","921.51","0.1","110","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(R/S)-1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","QB0154","Kumaradhas, P; Levendis, D. C.; Koritsanszky, T.","The low-temperature study of <small>D</small>- and <small>DL</small>-camphoric anhydride","Acta Crystallographica Section C","2000","56","3","e103","e104","10.1107/S0108270100001840","","","0.71073","MoKα","","0.032","0.032","","0.082","","0.081","","","1.063","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010755","4.845","0.002","18.369","0.006","13.7745","0.0012","90","","91.77","0.02","90","","1225.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-phenylazophenyl-C,N')selenium iodide","","- C12 H9 I N2 Se -","- C12 H9 I N2 Se -","- C48 H36 I4 N8 Se4 -","4","1","QB0162","Majeed, Zulfiqar; McWhinnie, William R.; Lowe, Philip R.","A T-shaped selenenyl halide","Acta Crystallographica Section C","2000","56","3","e105","e106","10.1107/S0108270100001852","","","0.71073","MoKα","","0.064","0.043","","","","0.122","","","","","","1.168","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010756","5.6528","0.0001","11.1532","0.0002","16.9897","0.0001","90","","90","","90","","1071.15","0.03","158","2","158","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acetyl-L-phenylalanine","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","QB0164","Stout, Kyle L.; Hallock, Kevin J.; Kampf, Jeff W.; Ramamoorthy, Ayyalusamy","<i>N</i>-Acetyl-<small>L</small>-phenylalanine","Acta Crystallographica Section C","2000","56","3","e100","e100","10.1107/S0108270100001712","","","0.71073","MoKα","","0.03","0.028","","","","0.077","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010757","13.249","0.003","10.801","0.002","21.193","0.005","90","","104.5","0.02","90","","2936.2","1.1","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[2-(diphenylphosphinyl)benzene] disulfide","","- C36 H28 O2 P2 S2 -","- C36 H28 O2 P2 S2 -","- C144 H112 O8 P8 S8 -","4","0.5","QB0174","Perez-Lourido, P.; Garcia-Vazquez, J. A.; Romero, J.; Fernandez, P.; Sousa-Pedrares, A.; Sousa, A.","Bis[2-(diphenylphosphinoyl)benzene] disulfide","Acta Crystallographica Section C","2000","56","3","e101","e102","10.1107/S0108270100001797","","","0.71073","MoKα","","0.073","0.042","","","","0.091","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010758","7.1952","0.0013","17.356","0.003","8.3298","0.0016","90","","111.148","0.014","90","","970.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","QB0175","Nesterov, Vladimir N.; Kislyi, Victor P.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.; Semenov, Victor V.","<i>trans</i>-1-Cyano-2-(2-methoxyphenyl)-1-nitroethylene","Acta Crystallographica Section C","2000","56","3","e107","e108","10.1107/S0108270100001864","","","0.71073","MoKα","","0.106","0.055","","","","0.14","","","","","","1.112","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010759","7.9608","0.0001","10.6844","0.0001","12.8215","0.0003","93.577","0.001","97.737","0.001","99.046","0.001","1063.28","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Pyrazolo[1,5-a]pyridine","2-[(4-Bromophenyl)-4-cyano-5-ferrocenylpyrazolo[1,5-a]pyridin-7yl] acetonitrile","","- C26 H17 Br Fe N4 -","- C26 H17 Br Fe N4 -","- C52 H34 Br2 Fe2 N8 -","2","1","QB0178","Sarkhel, Sanjay; Srivastava, Prativa; Ram, Vishnu J.; Maulik, Prakas R.; Broder, Charlotte K.; Howard, Judith A. K.","A highly functionalized ferrocenylpyrazolo[2,3-<i>a</i>]pyridine","Acta Crystallographica Section C","2000","56","3","e88","e89","10.1107/S0108270100002535","","","0.71073","MoKα","","0.068","0.048","","0.14","0.106","","","","1.028","0.933","0.933","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010760","16.685","0.002","16.685","0.002","5.468","0.001","90","","90","","120","","1318.3","0.3","293","","","","","","","","","","","4","R 3 :H","R 3","146","","tribenzylphosphine oxide","","- C21 H21 O P -","- C21 H21 O P -","- C63 H63 O3 P3 -","3","0.333333","QB0179","Novoa de Armas, Héctor; Pérez, Hiram; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; López, José Manuel","Tribenzylphosphine oxide","Acta Crystallographica Section C","2000","56","3","e98","e99","10.1107/S0108270100001566","","","0.71073","MoKα","","0.034","0.032","","0.088","","0.088","","","1.068","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010761","13.9691","0.001","13.9691","0.001","32.39","0.003","90","","90","","120","","5473.7","0.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(antipyrine-O)terbium(III) triperchlorate","","- C66 H72 Cl3 N12 O18 Tb -","- C66 H72 Cl3 N12 O18 Tb -","- C198 H216 Cl9 N36 O54 Tb3 -","3","0.166667","QB0180","Su, Cheng-Yong; Yang, Xiao-Ping; Xu, An-Wu; Zhang, Ze-Fu; Liu, Hong-Ke; Kang, Bei-Sheng","Hexakis(antipyrine-<i>O</i>)terbium(III) triperchlorate","Acta Crystallographica Section C","2000","56","3","e82","e83","10.1107/S0108270100002298","","","0.71073","MoKα","","0.046","0.045","","","","0.11","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010762","19.608","0.004","4.786","0.002","20.461","0.006","90","","97.91","0.02","90","","1901.9","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","caulerpin","Dimethyl-6,13-dihydrodibenzo[b,i]phenazine-5,12-dicarboxylate","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C96 H72 N8 O16 -","4","0.5","QB0181","Parvez, Masood; Ara, Jehan; Sultana, Viqar; Qasim, Rashida; Ahmad, Viqar Uddin","Caulerpin","Acta Crystallographica Section C","2000","56","3","e96","e97","10.1107/S0108270100001529","","","0.71069","MoKα","","0.118","0.049","","","","0.232","","","","","","1.19","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010763","7.3275","0.0001","7.6321","0.0002","12.6379","0.0004","95.809","0.002","96.991","0.001","92.244","0.002","696.96","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(N,N-dimethylthiocarbamoylthio)acetic acid","","- C8 H14 N2 O2 S4 -","- C8 H14 N2 O2 S4 -","- C16 H28 N4 O4 S8 -","2","1","QB0182","Muniandy, Suresh; Low, Kum Sang; Naumov, Pance; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Ng, Seik Weng","Bis(<i>N</i>,<i>N</i>-dimethylthiocarbamoylthio)acetic acid","Acta Crystallographica Section C","2000","56","3","e113","e114","10.1107/S0108270100002511","","","0.71073","MoKα","","0.073","0.053","","","","0.139","","","","","","0.946","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010764","7.251","0.001","28.761","0.003","9.635","0.001","90","","90","","90","","2009.3","0.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bis[(bis-2-hydroxyethyl)dithiocarbamato]dimethyltin(IV)","","- C12 H26 N2 O4 S4 Sn -","- C12 H26 N2 O4 S4 Sn -","- C48 H104 N8 O16 S16 Sn4 -","4","0.5","QB0183","Yang Farina, A. Aziz; Othman, Abdul Hamid; Baba, Ibrahim; Sivakumar, K.; Fun, Hoong-Kun; Ng, Seik Weng","Bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)dithiocarbamato]dimethyltin(IV)","Acta Crystallographica Section C","2000","56","3","e84","e85","10.1107/S0108270100002407","","","0.71073","MoKα","","0.035","0.027","","","","0.073","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010765","10.155","0.003","15.638","0.005","20.102","0.006","90","","104.56","0.01","90","","3089.8","1.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(dicyclohexylammonium) adipate monohydrate","","- C30 H58 N2 O5 -","- C30 H58 N2 O5 -","- C120 H232 N8 O20 -","4","0.5","QB0184","Yang, Yang-Yi; Chen, Xiao-Ming; Ng, Seik Weng","Bis(dicyclohexylammonium) adipate monohydrate","Acta Crystallographica Section C","2000","56","3","e111","e112","10.1107/S0108270100002419","","","0.71073","MoKα","","0.125","0.059","","","","0.159","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010766","11.2608","0.0006","13.0527","0.0005","14.6607","0.0006","90","","90","","90","","2154.89","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Triphenyltin 3-ureidopropionate","Catena-poly[triphenyltin-μu-(3-ureidopropionato-O:O')]","","- C22 H22 N2 O3 Sn -","- C22 H22 N2 O3 Sn -","- C88 H88 N8 O12 Sn4 -","4","1","QB0186","Ng, Seik Weng","Orthorhombic modification of triphenyltin 3-ureidopropionate","Acta Crystallographica Section C","2000","56","3","e86","e87","10.1107/S0108270100002432","","","0.71073","MoKα","","0.044","0.034","","","","0.077","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010767","17.7426","0.0009","15.5402","0.0006","19.8147","0.001","90","","104.279","0.002","90","","5294.6","0.4","127","2","127","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C55 H76 O11 -","- C55 H76 O11 -","- C220 H304 O44 -","4","1","SK1335","Thuéry, Pierre; Nierlich, Martine; Asfari, Zouhair; Vicens, Jacques","5,11,17,23-Tetra-<i>tert</i>-butyl-25,27-bis(carboxymethoxy)-26,28-bis(2-methoxyethoxy)calix[4]arene‒methanol (1/1)","Acta Crystallographica Section C","2000","56","3","343","344","10.1107/S010827019901522X","","","0.71073","MoKα","","0.101","0.055","","","","0.138","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010768","8.752","0.002","10.525","0.005","20.619","0.005","90","","90","","90","","1899.3","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Amino-6-phenyl-1,6-dihydropyridazin-3(2H)-one","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C80 H72 N24 O8 -","8","1","SK1336","Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Pita, Beatriz; Sotelo, Eddy; Ravinã, Enrique; Suárez, Margarita","5-Amino-6-phenyl-1,6-dihydropyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section C","2000","56","3","345","346","10.1107/S0108270199015231","","","1.54178","CuKα","","0.043","0.038","","","","0.104","","","1.1","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010769","9.2597","0.0002","14.5473","0.0003","13.9263","0.0002","90","","90.726","0.001","90","","1875.77","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[bis(diethylenetriamine)Zinc(II)] ferrocyanide tetrahydrate [Zn(dien)~2~]~2~Fe(CN)~6~. 4H~2~O, (dien = diethylenetriamine, NH~2~CH=CHNHCH=CHNH~2~)","","- C22 H60 Fe N18 O4 Zn2 -","- C22 H60 Fe N18 O4 Zn2 -","- C44 H120 Fe2 N36 O8 Zn4 -","2","0.5","SK1341","Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Tong, Ye-Xiang; Lu, Zhong-Lin; Kang, Bei-Sheng","Bis[bis(diethylenetriamine)zinc(II)] hexacyanoferrate tetrahydrate","Acta Crystallographica Section C","2000","56","3","291","292","10.1107/S0108270199015176","","","0.71073","MoKα","","0.039","0.028","","","","0.069","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010770","6.758","0.001","8.844","0.001","7.075","0.002","90","","93.5","0.01","90","","422.07","0.14","183","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","metaboric acid, β-phase","Clinometaborite","- B H O2 -","- B H O2 -","- B12 H12 O24 -","12","3","SK1343","Freyhardt, Clemens C.; Wiebcke, Michael; Felsche, Jürgen","The monoclinic and cubic phases of metaboric acid (precise redeterminations)","Acta Crystallographica Section C","2000","56","3","276","278","10.1107/S0108270199016042","","","0.71073","MoKα","","","0.0309","","","","0.0872","","","","","","1.076","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:03",""
"2010771","8.8811","0.0003","8.8811","0.0003","8.8811","0.0003","90","","90","","90","","700.49","0.04","183","","","","","","","","","","Synthetic","3","P -4 3 n","P -4n 2 3","218","","metaboric acid, γ-phase","Metaborite","- B H O2 -","- B H O2 -","- B24 H24 O48 -","24","1","SK1343","Freyhardt, Clemens C.; Wiebcke, Michael; Felsche, Jürgen","The monoclinic and cubic phases of metaboric acid (precise redeterminations)","Acta Crystallographica Section C","2000","56","3","276","278","10.1107/S0108270199016042","","","0.71073","MoKα","","","0.019","","","","0.0445","","","","","","1.015","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:03",""
"2010772","17.7759","0.0003","9.0661","0.0002","23.5939","0.0003","90","","90","","90","","3802.35","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-benzyl-2'-iodocinnamanilide","","- C22 H18 I N O -","- C22 H18 I N O -","- C176 H144 I8 N8 O8 -","8","1","SK1348","Renganayaki, S.; Subramanian, E.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","<i>N</i>-Benzyl-2'-iodocinnamanilide and <i>N</i>-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide","Acta Crystallographica Section C","2000","56","3","349","350","10.1107/S0108270199015243","","","0.71073","MoKα","","0.127","0.059","","","","0.095","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010773","10.815","0.0002","11.3607","0.0002","20.2477","0.0005","90","","91.271","0.001","90","","2487.14","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide","","- C29 H24 I N O -","- C29 H24 I N O -","- C116 H96 I4 N4 O4 -","4","1","SK1348","Renganayaki, S.; Subramanian, E.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","<i>N</i>-Benzyl-2'-iodocinnamanilide and <i>N</i>-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide","Acta Crystallographica Section C","2000","56","3","349","350","10.1107/S0108270199015243","","","0.71073","MoKα","","0.158","0.057","","","","0.102","","","","","","0.958","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010774","11.724","0.005","10.911","0.004","14.218","0.006","90","","113.11","0.04","90","","1672.8","1.3","180","1","180","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-9-(2-Bromophenyl)-7,7-dimethyl-1,3,4,5,6,7,8,9-octahydrofuro[3,4- b]quinoline-1,8-dione","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C76 H72 Br4 N4 O12 -","4","1","SK1350","Şimşek, Rahime; Linden, Anthony; Şafak, Cihat","(±)-9-(2-Bromophenyl)-7,7-dimethyl-1,3,4,5,6,7,8,9-octahydrofuro[3,4-<i>b</i>]quinoline-1,8-dione","Acta Crystallographica Section C","2000","56","3","351","353","10.1107/S0108270199015255","","","0.71069","MoKα","","0.16","0.059","","","","0.165","","","","","","0.967","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010775","3.974","0.003","9.164","0.008","19.172","0.006","90","","90","","90","","698.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-bromo-5-hydroxybenzaldehyde","","- C7 H5 Br O2 -","- C7 H5 Br O2 -","- C28 H20 Br4 O8 -","4","1","SK1352","Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; d'A. Rocha Gonsalves, A. M.; Serra, A. C.","2-Bromo-5-hydroxybenzaldehyde","Acta Crystallographica Section C","2000","56","3","354","355","10.1107/S0108270199015267","","","0.71073","MoKα","","0.0575","0.0227","","","","0.0509","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010776","5.553","0.001","12.34","0.001","20.875","0.002","90","","90","","90","","1430.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Costuslactone-B","3,6,10-trimethyl-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[1,2-b]furan-2,9-dione","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","TA1253","Wang, Qiguang; Zhou, Baofan; Zhai, Jianjun","Costuslactone B","Acta Crystallographica Section C","2000","56","3","369","370","10.1107/S0108270199015723","","","0.71073","MoKα","","0.033","0.031","","","","0.137","","","","","","1.239","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010777","11.382","0.005","12.162","0.004","15.855","0.007","90","","103.31","0.03","90","","2135.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine]copper(II)thiocyanate","[2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl-κN^2^)pyridine-κN] bis(thiocyanato-N)copper(II)","","- C19 H21 Cu N7 S2 -","- C19 H21 Cu N7 S2 -","- C76 H84 Cu4 N28 S8 -","4","1","TA1259","Manikandan, Palanichamy; Justin Thomas, K. R.; Manoharan, Periakaruppan T.","[2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]bis(thiocyanato-<i>N</i>)copper(II)","Acta Crystallographica Section C","2000","56","3","308","309","10.1107/S0108270199015711","","","1.54184","CuKα","","0.054","0.047","","","","0.135","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010778","6.844","0.002","6.908","0.002","9.061","0.003","101.398","0.004","90.799","0.004","112.515","0.003","386","0.2","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","2-Amino-5-carboxypyridinium chloride","","- C6 H7 Cl N2 O2 -","- C6 H7 Cl N2 O2 -","- C12 H14 Cl2 N4 O4 -","2","1","TA1270","John Giantsidis; Mark M. Turnbull","6-Aminonicotinic acid hydrochloride","Acta Crystallographica Section C","2000","56","3","334","335","10.1107/S0108270199014821","","","0.71073","MoKα","","0.037","0.034","","","","0.091","","","","","","1.135","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010779","13.097","0.002","16.169","0.002","10.752","0.002","90","","95.818","0.012","90","","2265.2","0.6","293","1","293","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BC-166","11-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-8-chloro-5H- dibenzo[b,e][1,4]diazepine","","- C25 H23 Cl N4 O2 -","- C25 H23 Cl N4 O2 -","- C100 H92 Cl4 N16 O8 -","4","1","TA1272","Capuano, Ben; Crosby, Ian T.; Gable, Robert W.; Lloyd, Edward J.","<i>N</i>-Piperonyl analogue of the atypical antipsychotic clozapine","Acta Crystallographica Section C","2000","56","3","339","340","10.1107/S0108270199015139","","","0.71073","MoKα","","0.057","0.039","","0.11","","0.097","","","1.025","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010780","8.056","0.001","6.7586","0.0006","11.694","0.003","90","","102.93","0.01","90","","620.56","0.19","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C26 H26 N6 O2 S2 -","2","1","TA1278","Lovejoy, David B.; Richardson, Des. R.; Bernhardt, Paul V.","2-Hydroxy-1-naphthaldehyde 2-methylthiosemicarbazone","Acta Crystallographica Section C","2000","56","3","341","342","10.1107/S0108270199015140","","","0.71073","MoKα","","0.0472","0.0413","","","","0.1206","","","","","","1.044","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010781","14.789","0.013","13.14","0.008","19.064","0.016","90","","97.94","0.03","90","","3669","5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 Bi Br5 N5 -","- C30 H37 Bi Br5 N5 -","- C120 H148 Bi4 Br20 N20 -","4","0.5","AV1032","James, Sian C.; Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Salts of two pentahalo(<i>N</i>-donor)bismuthate(III) anions: [Bi<i>X</i>~5~<i>L</i>]^2{-^} (<i>X</i> = Cl, Br; <i>L</i> = pyridine, 4-picoline)","Acta Crystallographica Section C","2000","56","4","427","429","10.1107/S0108270100000263","","","0.71073","MoKα","","0.0451","0.0286","","","","0.0554","","","","","","0.919","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010782","18.699","0.002","14.889","0.003","7.408","0.003","90","","90","","90","","2062.5","1","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","pentachloropyridylbismuthate(III) pyridinium","","- C15 H17 Bi Cl5 N3 -","- C15 H17 Bi Cl5 N3 -","- C60 H68 Bi4 Cl20 N12 -","4","0.5","AV1032","James, Sian C.; Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Salts of two pentahalo(<i>N</i>-donor)bismuthate(III) anions: [Bi<i>X</i>~5~<i>L</i>]^2{-^} (<i>X</i> = Cl, Br; <i>L</i> = pyridine, 4-picoline)","Acta Crystallographica Section C","2000","56","4","427","429","10.1107/S0108270100000263","","","0.71073","MoKα","","0.049","0.0298","","0.0578","","0.052","","","1.052","","","1.068","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010783","13.549","0.002","7.525","0.002","5.891","0.004","90","","90.04","0.03","90","","600.6","0.4","173","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-bi(1,3,5,2-trithiaborapentalene)","","- C8 H4 B2 S6 -","- C8 H4 B2 S6 -","- C16 H8 B4 S12 -","2","0.5","BK1489","Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.","Three sulfur-containing diborane(4) compounds","Acta Crystallographica Section C","2000","56","4","440","444","10.1107/S0108270199014778","","","0.71073","MoKα","","0.063","0.055","","0.139","","0.135","","","0.984","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010784","9.578","0.002","9.686","0.002","12.172","0.003","95.56","0.02","91.99","0.02","113.349","0.012","1028.6","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bis(dimethylamino)-2,2'-bi(1,3,4,6,2-tetrathiaborapentalene-S-thione","","- C10 H14 B2 N2 S10 -","- C10 H14 B2 N2 S10 -","- C20 H28 B4 N4 S20 -","2","1","BK1489","Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.","Three sulfur-containing diborane(4) compounds","Acta Crystallographica Section C","2000","56","4","440","444","10.1107/S0108270199014778","","","0.71073","MoKα","","0.047","0.031","","0.076","","0.072","","","0.965","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010785","29.629","0.003","29.629","0.003","9.438","0.002","90","","90","","120","","7175.4","1.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","1,2-bis(dimethylamino)-1,1:2,2-bis(dimethylenedithioxy)diborane(4) dichloromethane solvate","","- C8.33 H22.66 B2 Cl0.66 N2 S4 -","- C8.334 H22.668 B2 Cl0.666667 N2 S4 -","- C150.012 H408.024 B36 Cl12 N36 S72 -","18","1","BK1489","Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.","Three sulfur-containing diborane(4) compounds","Acta Crystallographica Section C","2000","56","4","440","444","10.1107/S0108270199014778","","","0.71073","MoKα","","0.064","0.046","","","","0.129","","","","","","1.3","","","","has coordinates,has disorder,has Fobs","202207","2020-10-21","18:00:00",""
"2010786","7.0115","0.0001","18.7691","0.0006","21.1681","0.0007","90","","90","","90","","2785.71","0.13","200","1","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O -","- C10 H16 O -","- C120 H192 O12 -","12","3","BK1491","Harper, James K.; Arif, Atta M.; Grant, David M.","<i>cis</i>-Verbenol","Acta Crystallographica Section C","2000","56","4","451","452","10.1107/S010827019901570X","","","0.71073","MoKα","","","0.047","","","","0.127","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010787","14.9958","0.001","17.5356","0.0012","9.0327","0.0006","90","","90","","90","","2375.2","0.3","173","","","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","Bis(trimethylsilyl)mercury","Bis(trimethylsilyl)mercury","","- C12 H36 Hg2 Si4 -","- C12 H36 Hg2 Si4 -","- C48 H144 Hg8 Si16 -","4","0.25","BK1496","Pickett, Nigel L.; Just, Oliver; VanDerveer, Donald G.; Rees, Jr, William S.","Reinvestigation of bis(trimethylsilyl)mercury","Acta Crystallographica Section C","2000","56","4","412","413","10.1107/S0108270199016339","","","0.71073","MoKα","","","0.028","","","","0.074","","","","","","0.985","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2010788","42.064","0.006","42.064","0.006","7.052","0.003","90","","90","","120","","10806","5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","Aqua(n-hexyl)[3,3'-(propane-1,3-diyldinitrilo)bis(butan-2-one) dioximato-κ^4^-N]cobalt(III) perchlorate","","- C17 H34 Cl Co N4 O7 -","- C17 H34 Cl Co N4 O7 -","- C306 H612 Cl18 Co18 N72 O126 -","18","1","BK1502","Xiang, Ping; Chen, Ying; Shen, Xu-Jie; Chen, Hui-Lan; Duan, Chun-Ying","Aqua(<i>n</i>-hexyl)[3,3'-(propane-1,3-diyldinitrilo)bis(butan-2-one) dioximato-κ^4^<i>N</i>]cobalt(III) perchlorate","Acta Crystallographica Section C","2000","56","4","421","422","10.1107/S010827019901673X","","","0.71073","MoKα","","0.093","0.064","","","","0.183","","","","","","1.025","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010789","16.427","0.002","15.195","0.002","7.194","0.001","90","","90","","90","","1795.7","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","DPPE","[2-(4-benzylphenoxy)ethyl]diethylammonium chloride","","- C19 H26 Cl N O -","- C19 H26 Cl N O -","- C76 H104 Cl4 N4 O4 -","4","1","BK1510","Hempel, Andrew; Camerman, Norman; Dauter, Zbigniew; Mastropaolo, Donald; Camerman, Arthur","The antiestrogen [2-(4-benzylphenoxy)ethyl]diethylammonium chloride","Acta Crystallographica Section C","2000","56","4","455","456","10.1107/S0108270199016741","","","0.92","synchrotronradiation","","0.041","0.036","","","","0.105","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010790","8.7122","0.0005","12.8097","0.0011","13.7023","0.0012","113.2","0.007","91.68","0.006","101.35","0.006","1368.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(8-dimethylamino-1-naphthyl)dimethylammonium 3-carboxy-1,4,5,6,7,7-hexachloro-bicyclo[2.2.1]hept-5-ene-2-carboxylate hydrate (1:1:1)","","- C23 H24 Cl6 N2 O5 -","- C23 H24 Cl6 N2 O5 -","- C46 H48 Cl12 N4 O10 -","2","1","BM1360","Keller, Daphne E.; Kooijman, Huub; Scheurs, Antoine M. M.; Kroon, Jan; Grech, Eugeniusz","(8-Dimethylamino-1-naphthyl)dimethylammonium 3-carboxy-1,4,5,-6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2-carboxylate hydrate","Acta Crystallographica Section C","2000","56","4","479","480","10.1107/S0108270100000664","","","0.71073","MoKα","","0.07","0.039","","","","0.107","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010791","9.592","0.012","11.989","0.014","12.574","0.014","115.219","0.01","102.68","0.01","94.734","0.01","1251","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N9 O12 Sm -","- C18 H14 N9 O12 Sm -","- C36 H28 N18 O24 Sm2 -","2","1","BM1386","Michael G.B.Drew; Michael J.Hudson; Peter B. Iveson; Charles Madic","[Sm(NO~3~)~3~(TPTZ)(H~2~O)]·2H~2~O [TPTZ is 2,4,6-tris(2-pyridyl)-1,3,5-triazine]","Acta Crystallographica Section C","2000","56","4","434","435","10.1107/S0108270100000615","","","0.71073","MoKα","","0.0348","0.0331","","","","0.0944","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010792","6.748","0.003","10.466","0.004","12.555","0.004","90","","92.36","0.03","90","","885.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 3-(2'-deoxyuridin-5-yl)-3-hydroxy-2-iodopropanoate","","- C14 H19 I N2 O8 -","- C14 H19 I N2 O8 -","- C28 H38 I2 N4 O16 -","2","1","BM1390","Mazumdar, G.; De, M.; Mukhopadhyay, A.; Mazumdar, S. K.; Mazumder, N.; Das, A. K.; Knaus, Edward E.","Ethyl 3-(2'-deoxyuridin-5-yl)-3-hydroxy-2-iodopropanoate, a nucleoside analogue","Acta Crystallographica Section C","2000","56","4","494","495","10.1107/S0108270100000998","","","0.71069","MoKα","","0.044","0.036","","0.137","0.071","","","","0.928","0.925","0.925","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010793","6.4","0.002","14.181","0.003","7.416","0.001","90","","95.43","0.02","90","","670","0.3","297","","297","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Iron(II) Diphosphate Dihydrate","","- Fe2 H4 O9 P2 -","- Fe2 H4 O9 P2 -","- Fe8 H16 O36 P8 -","4","1","BR1253","Giesber, Henry G. III; Korzenski, Michael B.; Pennington, William T.; Kolis, Joseph W.","Fe~2~P~2~O~7~(H~2~O)~2~","Acta Crystallographica Section C","2000","56","4","399","400","10.1107/S0108270199014407","","","0.71073","MoKα","","0.0204","0.019","","0.0309","","0.0303","","","","","","1.18","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010794","11.3606","0.0008","6.0125","0.0004","5.1482","0.0004","90","","113.159","0.004","90","","323.31","0.04","295","","295","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","mercury(II) tungstate","","- Hg O4 W -","- Hg O4 W -","- Hg4 O16 W4 -","4","0.5","BR1261","Åsberg Dahlborg, Magnus B.; Svensson, Göran; Ouvarova, Tatiana","Mercury(II) tungstate from neutron powder data","Acta Crystallographica Section C","2000","56","4","397","398","10.1107/S0108270199013864","","neutron","1.47","neutron","","","","","","","","","","1.23","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010795","10.0132","0.0004","17.3635","0.0006","82.496","0.003","90.006","0.008","90.026","0.004","89.983","0.005","14343.1","0.9","295","","295","","","","","","","","","3","F 1","F 1","1","","aluminum phosphate","","- Al O4 P -","- Al O4 P -","- Al160 O640 P160 -","160","","BR1269","Graetsch, Heribert","Two forms of aluminium phosphate tridymite from X-ray powder data","Acta Crystallographica Section C","2000","56","4","401","403","10.1107/S0108270199015164","","","1.54056","CuKα~1~","","","0.0332","","","","","","","2.16","2.16","2.16","","","","","has coordinates","208305","2020-10-21","18:00:00",""
"2010796","37.3863","0.0016","5.0455","0.0002","26.2217","0.001","90","","117.816","0.0013","90","","4374.7","0.3","295","","295","","","","","","","","","3","P 1 c 1","P -2yc","7","","aluminum phosphate","","- Al O4 P -","- Al O4 P -","- Al48 O192 P48 -","48","24","BR1269","Graetsch, Heribert","Two forms of aluminium phosphate tridymite from X-ray powder data","Acta Crystallographica Section C","2000","56","4","401","403","10.1107/S0108270199015164","","","1.54056","CuKα~1~","","","0.0727","","","","","","","1.79","1.79","1.79","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010797","8.039","0.0005","7.694","0.0016","14.13","0.002","90","","90","","90","","874","0.2","208","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","β-Pyridinium dichloroiodide","","- C5 H6 Cl2 I N -","- C4.99998 H6 Cl2 I N0.99996 -","- C19.9999 H24 Cl8 I4 N3.99984 -","4","0.5","BR1276","Schulz Lang, Ernesto; Burrow, Robert A.; Diniz, Juraci","β-Pyridinium dichloroiodide","Acta Crystallographica Section C","2000","56","4","471","472","10.1107/S0108270100000317","","","0.71073","MoKα","","0.1069","0.0569","","","","0.141","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","211393","2020-10-21","18:00:00",""
"2010798","6.8832","0.0006","9.0568","0.0008","12.4376","0.0011","90","","97.219","0.002","90","","769.21","0.12","153","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O6 -","- C7 H7 N O6 -","- C28 H28 N4 O24 -","4","1","CF1322","Hall, Annegret K.; Harrowfield, Jack M.; Skelton, Brian W.; White, Allan H.","Chelidamic acid monohydrate: the proton complex of a multidentate ligand","Acta Crystallographica Section C","2000","56","4","448","450","10.1107/S0108270199015620","","","0.71073","MoKα","","0.046","0.038","","0.05","","0.049","","","1.616","","","1.736","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010799","12.748","0.003","16.508","0.009","19.19","0.016","90","","97.5","0.05","90","","4004","4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Gd N3 Na5 O31 -","- C21 H6 Gd N3 Na5 O31 -","- C84 H24 Gd4 N12 Na20 O124 -","4","1","CF1323","Hall, Annegret K.; Harrowfield, Jack M.; Skelton, Brian W.; White, Allan H.","The sodium salt of a tris(tridentate anion)gadolinium(III) complex: pentasodium bis[chelidamato(3{-})][chelidamato(2{-})]gadolinate(III) hexadecahydrate","Acta Crystallographica Section C","2000","56","4","407","411","10.1107/S0108270199015632","","","0.71073","MoKα","","0.083","0.072","","0.068","","0.068","","","1.542","","","1.606","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010800","6.531","0.002","44.759","0.004","16.224","0.002","90","","90","","90","","4742.6","1.6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H2 Fe4 O12 S2 Se2 -","- C14 H2 Fe4 O12 S2 Se2 -","- C112 H16 Fe32 O96 S16 Se16 -","8","0.5","DA1109","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Dash, Aswini K.; Mathur, Pradeep","Mixed-chalcogenide double-butterfly complex [{(CO)~6~Fe~2~SSe}~2~{μ-C(H)—C(H)}]","Acta Crystallographica Section C","2000","56","4","438","439","10.1107/S0108270100001037","","","0.71073","MoKα","","0.0485","0.0372","","","","0.1077","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010801","8.101","0.002","13.564","0.003","21.573","0.004","90","","91.13","0.03","90","","2370","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[diaquamagnesium pyrithione][dithiobis(pyridine-N-oxide)]","[diaquabis(1-hydroxy-2(1H)-pyridinethiolato)magnesium(II)] [2,2'-dithiobis(pyridine-N-oxide)]","","- C20 H20 Mg N4 O6 S4 -","- C20 H20 Mg N4 O6 S4 -","- C80 H80 Mg4 N16 O24 S16 -","4","0.5","DE1120","Bond, Andrew; Jones, William","A host‒guest complex of diaquabis[1-hydroxy-2(1<i>H</i>)-pyridinethionato-<i>O</i>,<i>S</i>]magnesium(II) and 2,2'-dithiobis(pyridine <i>N</i>-oxide)","Acta Crystallographica Section C","2000","56","4","436","437","10.1107/S0108270199013608","","","0.71073","MoKα","","0.05","0.036","","","","0.096","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010802","7.412","0.0015","11.505","0.002","13.255","0.003","103.13","0.03","103.97","0.03","106.8","0.03","995","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Acetatodiaqua[3-(salicyloylhydrazone)butan-2-one oximato]nickel(II) ethanol solvate","","- C15 H25 N3 Ni O8 -","- C15 H25 N3 Ni O8 -","- C30 H50 N6 Ni2 O16 -","2","1","DE1121","Song, You; Xu, Yan; Zhu, Dun-Ru; You, Xiao-Zeng","Acetatodiaqua[3-(salicyloylhydrazono)butan-2-one oximato]nickel(II) ethanol solvate","Acta Crystallographica Section C","2000","56","4","430","431","10.1107/S0108270100000329","","","0.71073","MoKα","","0.085","0.047","","0.134","0.122","","","","1","1.098","1.098","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010803","10.881","0.002","15.753","0.002","5.4764","0.0005","90","","90","","90","","938.7","0.2","293.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","DE1122","Kanazawa, Hitoshi","<i>N</i>-Carboxy-<small>L</small>-phenylalanine anhydride","Acta Crystallographica Section C","2000","56","4","469","470","10.1107/S0108270100000330","","","0.7107","MoKα","","","0.055","","","","0.158","","","","","","1.25","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010804","4.8488","0.0001","14.8294","0.0004","6.0228","0.0002","90","","110.534","0.001","90","","405.553","0.019","153","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Seryl-L-Alanine","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C12 H24 N4 O8 -","2","1","DE1127","Görbitz, Carl Henrik","A new {`}hydrogen-bond rule' applied to the structure of <small>L</small>-seryl-<small>L</small>-alanine and pairs of dipeptide retroanalogues","Acta Crystallographica Section C","2000","56","4","500","502","10.1107/S0108270100001463","","","0.71073","MoKα","","0.059","0.057","","","","0.127","","","","","","1.342","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010805","8.6654","0.0005","8.7898","0.0006","10.0105","0.0006","98.183","0.007","112.991","0.006","104.673","0.006","653.62","0.09","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 N O4 S -","- C15 H11 N O4 S -","- C30 H22 N2 O8 S2 -","2","1","FR1229","Kendi, Engin; Özbey, Süheyla; Bozdoğan, Oya; Ertan, Rahmiye","Flavone-3'-sulfonamide","Acta Crystallographica Section C","2000","56","4","457","458","10.1107/S0108270199016923","","","0.71069","MoKα","","","0.037","","","","0.044","","","","","","0.9","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010806","11.227","0.001","13.443","0.001","15.835","0.002","68.06","0.01","72.55","0.01","76.3","0.01","2093.6","0.4","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Cl N4 O2.5 -","- C21 H24 Cl N4 O2.5 -","- C84 H96 Cl4 N16 O10 -","4","2","FR1230","Özcan, Sabahat; Kendi, Engin; Tunçbilek, Meral; Göker, Hakan","Methyl 1-(4-chlorobenzyl)-2-(4-methylpiperazin-1-yl)-1<i>H</i>-benzimidazole-5-carboxylate hemihydrate","Acta Crystallographica Section C","2000","56","4","459","460","10.1107/S0108270100000032","","","0.71069","MoKα","","","0.053","","","","0.068","","","","","","1.24","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010807","10.3","0.001","13.39","0.001","9.322","0.007","105.65","0.09","98.62","0.09","88.45","0.03","1223.9","1.1","296","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N2 O2 S -","- C30 H24 N2 O2 S -","- C60 H48 N4 O4 S2 -","2","1","FR1236","Simon, Wendy M.; Trujillo, Hernando A.; Pelkey, Erin T.; Gribble, Gordon W.; Jasinski, Jerry P.","The fused heterocycle 2-benzyl-3-methyl-1-phenyl-4-phenylsulfonyl-2<i>H</i>,4<i>H</i>-pyrrolo[3,4-<i>b</i>]indole","Acta Crystallographica Section C","2000","56","4","461","462","10.1107/S0108270100000020","","","0.7107","MoKα","","0.151","0.05","","0.147","","0.196","","","2.342","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010808","8.486","0.001","9.247","0.003","7.917","0.002","104.84","0.02","110","0.01","97.37","0.02","548.1","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H10 F O7 P S -","- C7 H10 F O7 P S -","- C14 H20 F2 O14 P2 S2 -","2","1","FR1237","Adani, Fabrizio; Montoneri, Enzo; Squattrito, Philip J.","4-Fluoro-2-(phosphonomethyl)benzenesulfonic acid monohydrate","Acta Crystallographica Section C","2000","56","4","463","464","10.1107/S0108270100000184","","","0.7107","MoKα","","","0.044","","","","0.064","","","","","","1.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010809","18.515","0.002","14.295","0.003","10.916","0.001","84.9","0.01","87.874","0.009","77.04","0.01","2804","0.7","296","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H51 Cl5 O P3 Pd3 -","- C57 H51 Cl5 O P3 Pd3 -","- C114 H102 Cl10 O2 P6 Pd6 -","2","1","FR1241","Kunihisa Sugimoto; Takayoshi Kuroda-Sowa; Sheng-Gang Yan; Masahiko Maekawa; Mugumu Munakata","A novel trinuclear palladium cluster compound: di-μ~3~-chloro-tris[chloro(triphenylphosphine-<i>P</i>)palladium] acetone solvate","Acta Crystallographica Section C","2000","56","4","414","415","10.1107/S0108270199016509","","","0.7107","MoKα","","","0.037","","","","0.101","","","","","","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010810","9.0913","0.0009","11.4168","0.0011","18.0817","0.0017","90","","93.46","0.007","90","","1873.3","0.3","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-iodo-1,2-diphenyl-1,2-closo-dicarbadodecaborane(9)","","- C14 H19 B10 I -","- C14 H19 B10 I -","- C56 H76 B40 I4 -","4","1","GD1068","Thomas D. McGrath; Mark A. Fox; Alan J. Welch","1,2-Ph~2~-9-I-1,2-<i>closo</i>-C~2~B~10~H~9~","Acta Crystallographica Section C","2000","56","4","487","488","10.1107/S0108270100000743","","","0.71073","MoKα","","0.0507","0.0349","","","","0.0846","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010811","11.56","0.001","8.4","0.001","13.954","0.001","90","0.01","103.41","0.01","90","0.01","1318","0.2","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O9 -","- C27 H25 N O9 -","- C54 H50 N2 O18 -","2","1","GS1061","Marc Rolland; Monique Calmès; Françoise Escale; Jean Martinez","Nouveaux dérivés de <i>N</i>-phtalimido-2-arylepropanoate de pantolactonyle","Acta Crystallographica Section C","2000","56","4","445","447","10.1107/S0108270199015292","","","0.71073","MoKα","","","0.062","","","","0.098","","","","","","1.653","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010812","9.5666","0.0003","11.1026","0.0002","20.32","0.0006","90","0.01","90","0.01","90","0.01","2158.27","0.1","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 F N O6 -","- C23 H20 F N O6 -","- C92 H80 F4 N4 O24 -","4","1","GS1061","Marc Rolland; Monique Calmès; Françoise Escale; Jean Martinez","Nouveaux dérivés de <i>N</i>-phtalimido-2-arylepropanoate de pantolactonyle","Acta Crystallographica Section C","2000","56","4","445","447","10.1107/S0108270199015292","","","0.71073","MoKα","","","0.033","","","","0.052","","","","","","1.22","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010813","12.114","0.001","8.095","0.002","18.538","0.006","90","","106.3","0.01","90","","1744.8","0.7","299","2","299","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N,N'-Bis(5-bromosalicylidene)-o-phenylenediamine]copper(II)","","- C20 H12 Br2 Cu N2 O2 -","- C20 H12 Br2 Cu N2 O2 -","- C80 H48 Br8 Cu4 N8 O8 -","4","1","GS1068","Elmali, Ayhan; Elerman, Yalc̨in; Svoboda, Ingrid","[<i>N</i>,<i>N</i>'-Bis(5-bromosalicylidene)-<i>o</i>-phenylenediaminato]copper(II)","Acta Crystallographica Section C","2000","56","4","423","424","10.1107/S0108270199016935","","","0.71093","MoKα","","0.11","0.04","","","","0.115","","","1.017","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010814","9.368","0.005","19.776","0.007","11.484","0.008","90","","101.92","0.04","90","","2082","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-benzoyl-2-(4-methoxyphenyl)-6-phenyl-5-oxa-2,6-diazaspiro[3.4]octan-1-one","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C100 H88 N8 O16 -","4","1","GS1071","Chiaroni, Angèle; Riche, Claude; Rigolet, Séverinne; Mélot, Jean-Marie; Vebrel, Joel","Two 5-oxa-2,6-diazaspiro[3.4]octan-1-one derivatives from the [3+2] cycloaddition of methylenelactams with nitrones","Acta Crystallographica Section C","2000","56","4","473","474","10.1107/S010827010000072X","","","1.5418","CuKα","","0.101","0.05","","0.147","","0.12","","","1.013","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010815","6.272","0.002","10.687","0.003","15.327","0.004","103.39","0.02","87.79","0.03","95.62","0.02","994.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-tert-butyl-2-(4-methylphenyl)-7-phenyl-5-oxa-2,6-diazaspiro[3.4]octan-1-one","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C44 H52 N4 O4 -","2","1","GS1071","Chiaroni, Angèle; Riche, Claude; Rigolet, Séverinne; Mélot, Jean-Marie; Vebrel, Joel","Two 5-oxa-2,6-diazaspiro[3.4]octan-1-one derivatives from the [3+2] cycloaddition of methylenelactams with nitrones","Acta Crystallographica Section C","2000","56","4","473","474","10.1107/S010827010000072X","","","1.5418","CuKα","","0.212","0.083","","0.304","","0.218","","","0.966","","","1.167","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010816","13.3445","0.0002","13.7089","0.0002","14.2471","0.0002","106.644","0.007","116.816","0.008","90.965","0.007","2195.8","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","Carbonyl[dihydrobis(pyrazol-1-yl-κN^2^)borato]hydridobis- (tri-p-tolylphosphine-κP)ruthenium(II)","","- C49 H51 B N4 O P2 Ru -","- C49 H51 B N4 O P2 Ru -","- C98 H102 B2 N8 O2 P4 Ru2 -","2","1","JA1005","Huh, Seong; Park, Young Jun; Lough, Alan. J.; Jun, Moo-Jin","Carbonyl[dihydrobis(pyrazol-1-yl-κ<i>N</i>^2^)borato]hydridobis(tri-<i>p</i>-tolylphosphine-κ<i>P</i>)ruthenium(II)","Acta Crystallographica Section C","2000","56","4","416","417","10.1107/S0108270199016649","","","0.71073","MoKα","","0.114","0.061","","","","0.152","","","","","","0.965","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00",""
"2010817","11.1132","0.0013","5.8547","0.0006","13.1706","0.0013","90","","100.466","0.009","90","","842.68","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(aniline)dithiocyanatocadmium(II)","","- C14 H14 Cd N4 S2 -","- C14 H14 Cd N4 S2 -","- C28 H28 Cd2 N8 S4 -","2","0.5","JA1012","Moon, Hyoung-Sil; Kim, Chong-Hyeak; Lee, Sueg-Geun","One-dimensional polymeric chain structure of bis(aniline)dithiocyanatocadmium(II)","Acta Crystallographica Section C","2000","56","4","425","426","10.1107/S0108270100000160","","","0.71073","MoKα","","0.0314","0.025","","","","0.0677","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010818","13.425","0.003","7.4226","0.0012","15.0382","0.0017","90","","91.881","0.013","90","","1497.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β-Hydroxy-11-oxo-18α-olean-12-en-28-oic acid methyl ester","","- C33 H54 O5 -","- C33 H54 O5 -","- C66 H108 O10 -","2","1","JZ1368","Gzella, Andrzej","Triterpenoide. XIX. 3β-Hydroxy-11-oxo-18α-olean-12-en-28-säure-methylester und 3,11-Dioxo-18α-olean-12-en-28-säure-methylester","Acta Crystallographica Section C","2000","56","4","505","507","10.1107/S0108270199014602","","","1.54178","CuKα","","0.044","0.042","","","","0.124","","","","","","1.067","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010819","6.6304","0.0012","12.886","0.002","31.442","0.005","90","","90","","90","","2686.4","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,11-Dioxo-18α-olean-12-en-28-oic acid methyl ester","","- C31 H46 O4 -","- C31 H46 O4 -","- C124 H184 O16 -","4","1","JZ1368","Gzella, Andrzej","Triterpenoide. XIX. 3β-Hydroxy-11-oxo-18α-olean-12-en-28-säure-methylester und 3,11-Dioxo-18α-olean-12-en-28-säure-methylester","Acta Crystallographica Section C","2000","56","4","505","507","10.1107/S0108270199014602","","","1.54178","CuKα","","0.044","0.036","","","","0.105","","","","","","1.049","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010820","8.898","0.002","8.898","0.002","6.947","0.002","90","","90","","120","","476.3","0.2","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","SSS","2,4,6-Tris(methylthio)-1,3,5-triazine","","- C6 H9 N3 S3 -","- C6 H9 N3 S3 -","- C12 H18 N6 S6 -","2","0.166667","JZ1377","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione","Acta Crystallographica Section C","2000","56","4","465","468","10.1107/S0108270100000214","","","0.7107","MoKα","","0.0641","0.0337","","","","0.0879","","","","","","1.029","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010821","16.566","0.006","6.813","0.002","8.926","0.003","90","","90","","90","","1007.4","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","SSN(sss)","3-Methyl-4,6-bismethylthio-1,3,5-triazine-2(3H)-thione","","- C6 H9 N3 S3 -","- C6 H9 N3 S3 -","- C24 H36 N12 S12 -","4","0.5","JZ1377","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione","Acta Crystallographica Section C","2000","56","4","465","468","10.1107/S0108270100000214","","","0.7107","MoKα","","0.0726","0.0489","","","","0.117","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010822","9.618","0.005","11.435","0.006","13.91","0.007","107.3","0.05","100.65","0.05","93.05","0.05","1425.9","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","SNN","1,3-Dimethyl-4-methylthio-1,3,5-triazine-2,6(1H,3H)-dithione","","- C6 H9 N3 S3 -","- C6 H9 N3 S3 -","- C36 H54 N18 S18 -","6","3","JZ1377","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione","Acta Crystallographica Section C","2000","56","4","465","468","10.1107/S0108270100000214","","","0.7107","MoKα","","0.0603","0.0439","","","","0.1291","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010823","15.247","0.001","8.792","0.001","16.165","0.001","90","","116.6","0.01","90","","1937.6","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","NNN(sss)","1,3,5-Trimethyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trithione","","- C6 H9 N3 S3 -","- C6 H9 N3 S3 -","- C48 H72 N24 S24 -","8","2","JZ1377","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione","Acta Crystallographica Section C","2000","56","4","465","468","10.1107/S0108270100000214","","","0.7107","MoKα","","0.0595","0.0558","","","","0.1492","","","","","","1.14","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010824","10.5235","0.0008","7.1136","0.0003","18.2587","0.0013","90","","100.632","0.009","90","","1343.38","0.16","173","1","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","isoaurone","(E)-6-Methoxy-3-(α-methoxybenzylidene)benzo[b]furan-2(3H)-one","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","JZ1387","Burke, Anthony J.; Schmalle, Helmut W.; Brady, Bernard A.; O'Sullivan, W. Ivo","(<i>E</i>)-6-Methoxy-3-(α-methoxybenzylidene)benzo[<i>b</i>]furan-2(3<i>H</i>)-one at 173K","Acta Crystallographica Section C","2000","56","4","484","486","10.1107/S0108270100000731","","","0.71073","MoKα","","","0.034","","","","0.067","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010825","9.259","0.003","7.2787","0.001","9.767","0.003","90","","110.29","0.02","90","","617.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)- 3-iodo-1H-pyrazolo[3,4-d]pyrimidine","","- C10 H12 I N5 O3 -","- C10 H12 I N5 O3 -","- C20 H24 I2 N10 O6 -","2","1","LN1089","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","7-Iodo-8-aza-7-deaza-2'-deoxyadenosine and 7-bromo-8-aza-7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","2000","56","4","489","491","10.1107/S0108270100000780","","","0.71073","MoKα","","0.026","0.026","","","","0.069","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010826","9.093","0.0009","7.2595","0.001","9.6369","0.0019","90","","109.362","0.011","90","","600.16","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-amino-3-bromo-1-(2-deoxy-β-D-erythro-pentofuranosyl)- 1H-pyrazolo[3,4-d]pyrimidine","","- C10 H12 Br N5 O3 -","- C10 H12 Br N5 O3 -","- C20 H24 Br2 N10 O6 -","2","1","LN1089","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","7-Iodo-8-aza-7-deaza-2'-deoxyadenosine and 7-bromo-8-aza-7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","2000","56","4","489","491","10.1107/S0108270100000780","","","0.71073","MoKα","","0.04","0.035","","","","0.093","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010827","7.146","0.001","10.561","0.001","21.306","0.001","90","","90","","90","","1607.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1 Hetero-assembly of 2-Aminopyrimidine and (+)-Camphoric acid","","- C14 H21 N3 O4 -","- C14 H21 N3 O4 -","- C56 H84 N12 O16 -","4","1","LN1090","Shyamaprosad Goswami; Reshmi Mukherjee; Kumaresh Ghosh; Ibrahim Abdul Razak; S. Shanmuga Sundara Raj; Hoong-Kun Fun","1:1 Hetero-assembly of 2-aminopyrimidine and (+)-camphoric acid","Acta Crystallographica Section C","2000","56","4","477","478","10.1107/S0108270100000755","","","0.71073","MoKα","","0.138","0.065","","","","0.159","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010828","16.544","0.004","4.477","0.001","21.993","0.003","90","0.02","92.14","0.01","90","0.02","1627.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","sodium 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxoisobenzofuran-5-yl)- 4-methylhex-4-enoate","","- C17 H19 Na O6 -","- C17 H19 Na O6 -","- C68 H76 Na4 O24 -","4","1","LN1094","Rihs, Grety; Papageorgiou, Christos; Pfeffer, Sabine","Sodium mycophenolate","Acta Crystallographica Section C","2000","56","4","432","433","10.1107/S0108270100000524","","","1.54178","CuKα","","0.085","0.048","","0.152","","0.121","","","0.857","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010829","9.4958","0.001","10.1947","0.0008","22.124","0.002","90","","90","","90","","2141.8","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4S)-3-Phenyl-1-[(R)-1-phenylethyl]-4-[(R)-1-phenylethyliminomethyl]azet idin-2-one","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","LN1096","Kooijman, Huub; Spek, Anthony L.; Kleijn, Henk; Maanen, Hendrik L. van; Jastrzebski, Johann T. B. H.; Koten, Gerard van","(3<i>R</i>,4<i>S</i>)-3-Phenyl-1-[(<i>R</i>)-1-phenylethyl]-4-[(<i>R</i>)-1-phenylethyliminomethyl]azetidin-2-one","Acta Crystallographica Section C","2000","56","4","481","483","10.1107/S0108270100000767","","","0.71073","MoKα","","0.064","0.04","","","","0.106","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010830","11.4515","0.0002","8.6572","0.0001","22.6109","0.0004","90","","90.864","0.001","90","","2241.34","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[1-(phenylsulfonyl)indol-3-yl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c] quinoline","","- C26 H22 N2 O2 S -","- C26 H22 N2 O2 S -","- C104 H88 N8 O8 S4 -","4","1","NA1443","Sankaranarayanan, R.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Babu, G.; Perumal, P.T.","4-[1-(Phenylsulfonyl)indol-3-yl]-3a,4,5,9b-tetrahydro-3<i>H</i>-cyclopenta[<i>c</i>]quinoline","Acta Crystallographica Section C","2000","56","4","475","476","10.1107/S0108270100000640","","","0.71073","MoKα","","0.094","0.054","","","","0.149","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010831","7.025","0.001","8.0689","0.0004","16.754","0.002","90","","90","","90","","949.68","0.18","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-acetyl-L-threoninate ammonium","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","NA1450","Puliti, Raffaella; Mattia, Carlo Andrea","Ammonium <i>N</i>-acetyl-<small>L</small>-threoninate and methylammonium <i>N</i>-acetyl-<small>L</small>-threoninate","Acta Crystallographica Section C","2000","56","4","496","499","10.1107/S0108270100001268","","","1.54056","CuKα","","0.0362","0.0358","","","","0.0435","","","","","","0.964","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010832","8.14","0.0009","7.178","0.002","9.081","0.001","90","","113.52","0.01","90","","486.51","0.16","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-acetyl-L-threoninate methylammonium","","- C7 H16 N2 O4 -","- C7 H16 N2 O4 -","- C14 H32 N4 O8 -","2","1","NA1450","Puliti, Raffaella; Mattia, Carlo Andrea","Ammonium <i>N</i>-acetyl-<small>L</small>-threoninate and methylammonium <i>N</i>-acetyl-<small>L</small>-threoninate","Acta Crystallographica Section C","2000","56","4","496","499","10.1107/S0108270100001268","","","1.54056","CuKα","","0.0415","0.0412","","","","0.0487","","","","","","0.989","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010833","7.754","0.004","8.949","0.008","11.251","0.007","78.48","0.06","70.26","0.04","70.06","0.06","687.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(3-methoxybenzoyl)-3,3-diethylthiourea","","- C13 H18 N2 O2 S -","- C13 H15 N2 O2 S -","- C26 H30 N4 O4 S2 -","2","1","NA1453","Dago Morales, Angel; Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Márquez, Heidy; Pomés Hernández, Ramón","1-(3-Methoxybenzoyl)-3,3-diethylthiourea","Acta Crystallographica Section C","2000","56","4","503","504","10.1107/S0108270100001554","","","0.71073","MoKα","","0.0866","0.0595","","","","0.1842","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010834","5.422","0.002","8.3254","0.0019","12.542","0.004","90","","90.39","0.03","90","","566.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","strontium chromium(II) diphosphate","strontium chromium(II) diphosphate","","- Cr O7 P2 Sr -","- Cr O7 P2 Sr -","- Cr4 O28 P8 Sr4 -","4","1","OS1092","Maaß, Kai; Glaum, Robert","Strontium chromium(II) diphosphate, SrCrP~2~O~7~","Acta Crystallographica Section C","2000","56","4","404","406","10.1107/S0108270100000226","","","0.71073","MoKα","","0.029","0.027","","","","0.076","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010835","9.704","0.002","19.102","0.004","17.407","0.004","90","","103.85","0.02","90","","3132.8","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-bis-(2-tosylaminobenzylidene)benzene-1,2-diamine","","- C34 H30 N4 O4 S2 -","- C34 H30 N4 O4 S2 -","- C136 H120 N16 O16 S8 -","4","1","OS1099","Mahía, José; Maestro, Miguel A.; Vázquez, Miguel; Bermejo, Manuel R.; González, Ana M.; Maneiro, Marcelino","<i>N</i>,<i>N</i>'-Bis(2-tosylaminobenzylidene)benzene-1,2-diamine","Acta Crystallographica Section C","2000","56","4","492","493","10.1107/S0108270100000809","","","0.71073","MoKα","","0.104","0.057","","","","0.143","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010836","5.0864","0.0008","7.315","0.003","35.812","0.009","90","","90","0.02","90","","1332.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-guanidinium-5-[2-(fluoromethyl)phenyl]-1,3,4-thiadiazole chloride","","- C10 H9 Cl F3 N5 S -","- C10 H9 Cl F3 N5 S -","- C40 H36 Cl4 F12 N20 S4 -","4","1","OS1100","Janes, Robert W.","1-{5-[2-(Trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}guanidinium chloride","Acta Crystallographica Section C","2000","56","4","508","509","10.1107/S0108270100001669","","","1.54178","CuKα","","0.0658","0.0508","","","","0.1491","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010837","6.891","0.001","7.345","0.001","9.497","0.002","90","","92.46","0.03","90","","480.24","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3R,4R,5S)-2-(2-Hydroxyethyl)-3,4,5-trihydroxypiperidine hydrochloride","","- C7 H16 Cl N O4 -","- C7 H16 Cl N O4 -","- C14 H32 Cl2 N2 O8 -","2","1","QA0204","Koman, Marian; Szolcsányi, Peter; Gracza, Tibor","(2<i>R</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-3,4,5-Trihydroxy-2-(2-hydroxyethyl)piperidinium chloride","Acta Crystallographica Section C","2000","56","4","e138","e138","10.1107/S0108270100003231","","","0.71073","MoKα","","0.089","0.056","","0.276","","0.157","","","0.906","","","0.933","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010838","14.0685","0.0009","11.9199","0.0009","15.7428","0.0007","90","","99.541","0.004","90","","2603.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bis[(μ-κO:O'-acetato)(μ-κO:μ-κ^2^O'-acetato){(cyclopentadienyl)tris (dimethylphosphito-P)cobalt-O,O',O""}neodymium(III)]","","- C30 H58 Co2 Nd2 O26 P6 -","- C30 H58 Co2 Nd2 O26 P6 -","- C60 H116 Co4 Nd4 O52 P12 -","2","0.5","QA0226","Roh, Soo-Gyun; Jeong, Jong Hwa","Di-μ-acetato-<i>O</i>:<i>O</i>'-di-μ-acetato-<i>O</i>,<i>O</i>':<i>O</i>'-bis{[(cyclopentadienyl)tris(dimethylphosphito-<i>P</i>)cobalt-<i>O</i>,<i>O</i>',<i>O</i>'']neodymium(III)}","Acta Crystallographica Section C","2000","56","4","e120","e121","10.1107/S0108270100003243","","","0.71073","MoKα","","0.051","0.044","","","","0.123","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010839","6.287","0.006","6.287","0.006","31.93","0.01","90","","90","","90","","1262.1","1.7","293.2","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C13 H8 S4 -","- C13 H8 S4 -","- C52 H32 S16 -","4","0.5","QA0227","Ueda, Kazumasa; Iwamatsu, Masaki; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-Ichiro","2,2'-Spirobi(1,3-benzodithiole)","Acta Crystallographica Section C","2000","56","4","e160","e161","10.1107/S0108270100003528","","","0.7107","MoKα","","","0.0347","","","","0.0453","","","","","","1.325","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010840","8.414","0.001","15.763","0.002","6.991","0.001","91.82","0.01","99.91","0.01","81.59","0.01","903.5","0.2","298","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N3 O6 -","- C20 H15 N3 O6 -","- C40 H30 N6 O12 -","2","1","QA0229","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e144","e146","10.1107/S010827010000384X","","","0.71073","MoKα","","","0.044","","","","0.147","","","","","","1.08","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010841","8.504","0.002","29.533","0.004","8.568","0.002","90","","108.05","0.02","90","","2045.9","0.8","298","1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 N3 O6 -","- C22 H19 N3 O6 -","- C88 H76 N12 O24 -","4","1","QA0229","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e144","e146","10.1107/S010827010000384X","","","0.71073","MoKα","","","0.041","","","","0.122","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010842","16.723","0.002","16.784","0.003","8.4129","0.0009","102.36","0.01","92.34","0.01","109.91","0.01","2152","0.5","298","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N3 O6 -","- C23 H21 N3 O6 -","- C92 H84 N12 O24 -","4","2","QA0229","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e144","e146","10.1107/S010827010000384X","","","0.71073","MoKα","","","0.061","","","","0.192","","","","","","1.74","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010843","8.212","0.002","31.924","0.002","8.438","0.001","90","","106.54","0.01","90","","2120.6","0.6","298","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O6 -","- C23 H21 N3 O6 -","- C92 H84 N12 O24 -","4","1","QA0229","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e144","e146","10.1107/S010827010000384X","","","0.71073","MoKα","","","0.049","","","","0.165","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010844","8.339","0.002","27.604","0.004","7.817","0.002","90","","90","","90","","1799.4","0.7","293","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C80 H56 N16 O16 -","4","1","QA0230","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-and <i>N</i>-ethylcarbazole with 3,5-dinitrobenzonitrile","Acta Crystallographica Section C","2000","56","4","e147","e148","10.1107/S0108270100003851","","","0.71073","MoKα","","","0.063","","","","0.162","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010845","16.227","0.002","6.982","0.002","17.435","0.002","90","","107.3","0.01","90","","1886","0.6","293","1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C21 H16 N4 O4 -","- C21 H16 N4 O4 -","- C84 H64 N16 O16 -","4","1","QA0230","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-and <i>N</i>-ethylcarbazole with 3,5-dinitrobenzonitrile","Acta Crystallographica Section C","2000","56","4","e147","e148","10.1107/S0108270100003851","","","0.71073","MoKα","","","0.064","","","","0.16","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010846","8.785","0.001","12.276","0.002","7.696","0.001","107.37","0.01","105.86","0.01","77.01","0.01","752.64","0.19","298","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","QA0231","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of 4-(dimethylamino)pyridine with 2,4-, 3,4- and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e149","e150","10.1107/S0108270100003863","","","0.71073","MoKα","","","0.05","","","","0.136","","","","","","0.98","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010847","8.102","0.002","7.734","0.001","24.218","0.001","90","","95.77","0.01","90","","1509.8","0.4","298","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","1","QA0231","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of 4-(dimethylamino)pyridine with 2,4-, 3,4- and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e149","e150","10.1107/S0108270100003863","","","0.71073","MoKα","","","0.04","","","","0.112","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010848","13.774","0.002","18.615","0.001","5.888","0.002","90","","90","","90","","1509.7","0.6","298","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","1","QA0231","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of 4-(dimethylamino)pyridine with 2,4-, 3,4- and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e149","e150","10.1107/S0108270100003863","","","0.71073","MoKα","","","0.035","","","","0.093","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010849","20.242","0.003","9.788","0.001","17.524","0.002","90","","115.36","0.01","90","","3137.4","0.7","300","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Nonapotassium cerium tetraphosphorus hexadecasulfide","","- Ce K9 P4 S16 -","- Ce K9 P4 S16 -","- Ce4 K36 P16 S64 -","4","0.5","QA0232","Gauthier, Gilles; Jobic, Stephane; Danaire, Veronique; Brec, Raymond; Evain, Michel","K~9~CeP~4~S~16~, a new thiophosphate of cerium with discrete [Ce(PS~4~)~4~]^9{-^} anions","Acta Crystallographica Section C","2000","56","4","e117","e117","10.1107/S0108270100003395","","","0.71073","MoKα","","0.037","0.026","","","","0.061","","","","1.06","1.06","1.12","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010850","12.517","0.002","11.5","0.003","16.413","0.002","90","","106.893","0.009","90","","2260.6","0.8","297","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 Ni O2 -","- C28 H22 N2 Ni O2 -","- C112 H88 N8 Ni4 O8 -","4","1","QA0233","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediaminato]nickel(II)","Acta Crystallographica Section C","2000","56","4","e122","e122","10.1107/S0108270100003255","","","0.7107","MoKα","","","0.044","","","","0.109","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010851","13.409","0.003","13.656","0.003","7.432","0.002","95.03","0.03","90.11","0.02","113.99","0.01","1237.5","0.5","295","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H19 N O4 -","- C10 H19 N O4 -","- C40 H76 N4 O16 -","4","2","QA0235","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Triethylammonium hydrogen fumarate","Acta Crystallographica Section C","2000","56","4","e139","e139","10.1107/S0108270100003267","","","0.71073","MoKα","","","0.045","","","","0.117","","","","","","1.02","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010852","5.8046","0.0003","10.64","0.0017","12.9556","0.0014","109.428","0.011","102.416","0.007","90.25","0.008","734.44","0.16","294","1","294","1","","","","","","","","4","P 1","P 1","1","N-3,5-dinitrobenzoyl-L-leucine","3,5-dinitro-N`-[(1R)-1,3-dimethylbutyl]benzamide","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C26 H30 N6 O14 -","2","2","QA0236","Gallagher, John F.; Kenny, Peter T. M.; O`Donohoe, Michael","Intermolecular hydrogen bonding of the two independent molecules of <i>N</i>-3,5-dinitrobenzoyl-<small>L</small>-leucine","Acta Crystallographica Section C","2000","56","4","e157","e158","10.1107/S0108270100003486","","","0.7107","MoKα","","0.111","0.045","","","","0.079","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010853","13.6929","0.0005","13.6929","0.0005","14.8094","0.0006","90","","90","","90","","2776.7","0.18","150","2","150","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Bis(tetraethylammonium) tetraiodozincate","","- C16 H40 I4 N2 Zn -","- C16 H40 I4 N2 Zn -","- C64 H160 I16 N8 Zn4 -","4","0.5","QA0237","Harrison, William T. A.; Howie, R. Alan; Skakle, Janet; Wardell, James L.","Bis(tetraethylammonium) tetraiodozincate at 150 and 301K","Acta Crystallographica Section C","2000","56","4","e124","e125","10.1107/S0108270100003383","","","0.71073","MoKα","","0.072","0.048","","","","0.122","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010854","13.8199","0.0006","13.8199","0.0006","14.8975","0.0007","90","","90","","90","","2845.3","0.2","301","2","301","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","bis(tetraethylammonium) tertraiodozincate","","- C16 H40 I4 N2 Zn -","- C16 H40 I4 N2 Zn -","- C64 H160 I16 N8 Zn4 -","4","0.5","QA0237","Harrison, William T. A.; Howie, R. Alan; Skakle, Janet; Wardell, James L.","Bis(tetraethylammonium) tetraiodozincate at 150 and 301K","Acta Crystallographica Section C","2000","56","4","e124","e125","10.1107/S0108270100003383","","","0.71073","MoKα","","0.075","0.049","","","","0.135","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010855","11.728","0.004","5.105","0.003","14.547","0.002","90","","99.83","0.02","90","","858.2","0.6","299","1","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H18 O6 Zn -","- C18 H18 O6 Zn -","- C36 H36 O12 Zn2 -","2","0.5","QA0239","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","<i>cis</i>-Diaquabis(<i>trans</i>-cinnamato-<i>O</i>,<i>O</i>')zinc(II)","Acta Crystallographica Section C","2000","56","4","e123","e123","10.1107/S0108270100003358","","","0.71073","MoKα","","","0.034","","","","0.088","","","","","","1.05","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010856","6.878","0.003","19.658","0.003","26.493","0.002","90","","91.33","0.02","90","","3581.1","1.7","298","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H56 O6 S2 Si -","- C32 H56 O6 S2 Si -","- C128 H224 O24 S8 Si4 -","4","2","QA0240","Hosomi, Hiroyuki; Ohba, Shigeru; Ohmori, Ken; Obitsu, Tetsuo; Ogawa, Yasuyuki; Ishikawa, Yuichi; Yamamura, Shosuke; Nishiyama, Shigeru","({-})-(3<i>S</i>)-4-(2-{[4,4-Dimethoxy-6-(benzyloxymethyl)perhydropyran-2-yl]methyl}-1,3-dithian-2-yl)-4-methyl-3-(1,1,2,2-tetramethyl-1-silapropoxy)pentan-1-ol","Acta Crystallographica Section C","2000","56","4","e140","e141","10.1107/S010827010000336X","","","0.71073","MoKα","","","0.051","","","","0.13","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010857","11.2649","0.0001","13.1101","0.0002","16.6181","0.0003","90","","94.2249","0.0003","90","","2447.56","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris(8-quinolinolato-N,O)Cobalt(III) Ethanol Solvate","","- C29 H24 Co N3 O4 -","- C29 H24 Co N3 O4 -","- C116 H96 Co4 N12 O16 -","4","1","QA0241","Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Zhao, PuSu; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin","Tris(8-quinolinolato-<i>N</i>,<i>O</i>)cobalt(III) ethanol solvate","Acta Crystallographica Section C","2000","56","4","e130","e131","10.1107/S0108270100003516","","","0.71073","MoKα","","0.102","0.055","","","","0.147","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010858","7.911","0.002","8.984","0.002","11.133","0.003","108.56","0.03","94.6","0.03","112.38","0.03","675","0.4","150","","150","","","","","","","","","3","P -1","-P 1","2","","N,N'-diphenyl-1,4-phenylenediamine","","- C18 H16 N2 -","- C18 H16 N2 -","- C36 H32 N4 -","2","1","QA0242","Boyer, Isabelle; Quillard, Sophie; Corraze, Benoit; Deniard, Philippe; Evain, Michel","A second polymorphic form of <i>N</i>,<i>N</i>'-diphenyl-1,4-phenylenediamine","Acta Crystallographica Section C","2000","56","4","e159","e159","10.1107/S0108270100003498","","","0.71073","MoKα","","0.046","0.03","","","","0.069","","","","","","1.09","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010859","14.059","0.001","7.1282","0.0009","22.621","0.002","90","","94.148","0.001","90","","2261","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Phenylbutan-2-one semicarbazone","","- C11 H15 N3 O -","- C11 H15 N3 O -","- C88 H120 N24 O8 -","8","2","QA0243","Degen, Alexander; Rühl, Stephan; Bolte, Michael","4-Phenylbutan-2-one semicarbazone","Acta Crystallographica Section C","2000","56","4","e162","e163","10.1107/S0108270100003802","","","0.71073","MoKα","","0.065","0.046","","","","0.109","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010860","8.23","0.001","15.423","0.002","8.476","0.001","90","","113.81","0.03","90","","984.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O2 S -","- C8 H13 N3 O2 S -","- C32 H52 N12 O8 S4 -","4","1","QA0244","Lazrak, Fatima; Essassi, El-Mokhtar; El-Bali, Brahim; Bolte, Michael","1,2,4-Triazolo[2,3-<i>h</i>]-7,9-thiaza-11-crown-4","Acta Crystallographica Section C","2000","56","4","e164","e164","10.1107/S0108270100003814","","","0.71073","MoKα","","0.064","0.038","","","","0.081","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010861","10.242","0.001","10.874","0.002","23.168","0.005","92.5","0.02","100.39","0.02","97.6","0.02","2509.6","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[Chlorocobalt(III)(μ-C-meso-5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacyclotetradecane-N-acetato-N,N',N'',N''',O:O')trichlorozinc(II)]","","- C18 H37 Cl4 Co N4 O2 Zn -","- C18 H37 Cl4 Co N4 O2 Zn -","- C72 H148 Cl16 Co4 N16 O8 Zn4 -","4","2","QA0245","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun","(μ-<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>-acetato-1κ^5^<i>N,N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>:2κ<i>O</i>')tetrachloro-1κ<i>Cl</i>,2κ^3^<i>Cl</i>-cobalt(III)zinc(II)","Acta Crystallographica Section C","2000","56","4","e128","e129","10.1107/S0108270100003504","","","0.71073","MoKα","","0.12","0.052","","","","0.131","","","","","","0.932","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010862","8.76","0.002","32.09","0.002","6.269","0.002","90","","90","","90","","1762.3","0.7","248","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O3 S -","- C18 H24 O3 S -","- C72 H96 O12 S4 -","4","1","QA0246","Hosomi, Hiroyuki; Ohba, Shigeru; Ohmori, Ken; Obitsu, Tetsuo; Ogawa, Yasuyuki; Ishikawa, Yuichi; Yamamura, Shosuke; Nishiyama, Shigeru","(+)-3-{(4<i>S</i>,5<i>S</i>)-5-[1,1-Dimethyl-2-(phenylthio)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl}prop-2-yn-1-ol","Acta Crystallographica Section C","2000","56","4","e142","e143","10.1107/S0108270100003371","","","1.54184","CuKα","","","0.04","","","","0.108","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010863","8.73","0.001","10.052","0.001","14.998","0.002","90","","99.36","0.01","90","","1298.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","QA0247","Ould, Mohammed Sydia Mohamed Said; Djerrari, Bahia; El Abbassi, M'Barek; Essassi, El-Mokhtar; El-Bali, Brahim; Bolte, Michael","4-Acetonylidene-1-ethyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","Acta Crystallographica Section C","2000","56","4","e165","e166","10.1107/S0108270100003826","","","0.71073","MoKα","","0.046","0.039","","","","0.113","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010864","8.9821","0.0014","10.856","0.0018","14.3002","0.0019","91.279","0.016","107.901","0.016","107.173","0.015","1257.9","0.4","294","1","294","1","","","","","","","","7","P -1","-P 1","2","","cis-Dichloro(dimethylaminomethylene)(triphenylphosphine)palladium(II)","","- C24 H28 Cl2 N O P Pd -","- C24 H28 Cl2 N O P Pd -","- C48 H56 Cl4 N2 O2 P2 Pd2 -","2","1","QA0248","McCrindle, Robert; McAlees, Alan J.; Zang, Erle; Ferguson, George","<i>cis</i>-Dichloro(dimethylaminomethylene)(triphenylphosphine)palladium(II) acetone solvate","Acta Crystallographica Section C","2000","56","4","e132","e133","10.1107/S0108270100003838","","","0.71073","MoKα","","0.041","0.028","","","","0.063","","","","","","1.024","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010865","10.485","0.003","8.179","0.001","20.985","0.001","90","","100.98","0.01","90","","1766.7","0.6","248","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cyclohex-1-enecarboxylic acid benzyl-(2-methoxy-phenyl)-amide","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","QA0250","Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu","<i>N</i>-Benzyl-<i>N</i>-(2-methoxyphenyl)cyclohex-1-enecarboxamide","Acta Crystallographica Section C","2000","56","4","e151","e151","10.1107/S0108270100004029","","","1.54184","CuKα","","","0.055","","","","0.159","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010866","17.479","0.003","9.1","0.002","21.494","0.003","90","","101.94","0.01","90","","3344.8","1.1","248","1","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-Isopropyl-N-{(E)-2-phenyl-propenyl}-thiobenzamide","","- C19 H21 N S -","- C19 H21 N S -","- C152 H168 N8 S8 -","8","1","QA0252","Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu","<i>N</i>-Isopropyl-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide and <i>N</i>-isopropyl-3-methoxy-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide","Acta Crystallographica Section C","2000","56","4","e152","e153","10.1107/S0108270100004030","","","1.54184","CuKα","","","0.046","","","","0.134","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010867","19.483","0.001","9.111","0.001","21.611","0.002","90","","105.39","0.01","90","","3698.6","0.6","248","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-Isopropyl-3-methoxy-N-{(E)-2-phenyl-propenyl}-thiobenzamide","","- C20 H23 N O S -","- C20 H23 N O S -","- C160 H184 N8 O8 S8 -","8","1","QA0252","Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu","<i>N</i>-Isopropyl-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide and <i>N</i>-isopropyl-3-methoxy-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide","Acta Crystallographica Section C","2000","56","4","e152","e153","10.1107/S0108270100004030","","","1.54184","CuKα","","","0.035","","","","0.101","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010868","10.057","0.003","8.344","0.003","17.962","0.004","90","","100.13","0.02","90","","1483.8","0.8","298","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Methyl-N-{(Z)-2-phenyl-propenyl}-thiobenzamide","","- C17 H17 N S -","- C17 H17 N S -","- C68 H68 N4 S4 -","4","1","QA0253","Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu","<i>N</i>-Methyl-<i>N</i>-[(<i>Z</i>)-2-phenylpropenyl]thiobenzamide","Acta Crystallographica Section C","2000","56","4","e154","e154","10.1107/S0108270100004042","","","0.71073","MoKα","","","0.066","","","","0.175","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010869","11.166","0.001","13.423","0.001","10.878","0.001","90","","90","","90","","1630.4","0.2","298","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Isopropyl-4-methyl-4-phenyl-3,4-dihydro-2H-isoquinoline-1-thione","","- C19 H21 N S -","- C19 H21 N S -","- C76 H84 N4 S4 -","4","1","QA0254","Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu","2-Isopropyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline-1-thione","Acta Crystallographica Section C","2000","56","4","e155","e155","10.1107/S0108270100004054","","","0.71073","MoKα","","","0.043","","","","0.124","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010870","21.4651","0.0012","13.3773","0.0008","23.3868","0.0014","90","","90","","90","","6715.4","0.7","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H19 F20 Ga N2 -","- C32 H19 F20 Ga N2 -","- C256 H152 F160 Ga8 N16 -","8","1","QB0173","Guzei, Ilia A.; Dagorne, Samuel; Jordan, Richard F.","Bis(isopropylamino)methylcarbenium tetrakis(pentafluorophenyl)gallate","Acta Crystallographica Section C","2000","56","4","e134","e135","10.1107/S0108270100003899","","","0.71073","MoKα","","0.114","0.045","","","","0.075","","","","","","1.014","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010871","10.904","0.003","13.184","0.004","10.352","0.002","99.74","0.02","97.24","0.02","80.06","0.02","1437.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","trans-[Co(acac)~2~(PMePh~2~)(MeOH)]PF~6~.H~2~O","trans-(Methanol)(methyldiphenylphosphine)bis(pentane-2,4-dionato)cobalt(III) Hexafluorophosphate Hydrate","","- C24 H33 Co F6 O6 P2 -","- C24 H31 Co F6 O5.776 P2 -","- C48 H62 Co2 F12 O11.552 P4 -","2","1","QB0187","Suzuki, Takayoshi","<i>trans</i>-(Methanol)(methyldiphenylphosphine)bis(pentane-2,4-dionato)cobalt(III) hexafluorophosphate hydrate","Acta Crystallographica Section C","2000","56","4","e118","e119","10.1107/S0108270100002894","","","0.71073","MoKα","","0.194","0.055","","","","0.167","","","","","","0.965","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010872","7.1304","0.0004","6.9381","0.0004","13.415","0.0007","90","","90.901","0.004","90","","663.58","0.06","297","","297","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2-dihydro-2-(1,2-dihydroxyprop-2-yl)-8H-furo[2,3-h]benzopyran-8-one monohydrate","","- C14 H16 O6 -","- C14 H16 O6 -","- C28 H32 O12 -","2","1","QB0188","Billiot, Fereshteh Haddadian; Billodeaux, Damon R.; Watkins, Steven F.; Fronczek, Frank R.","A chiral furocoumarin","Acta Crystallographica Section C","2000","56","4","e136","e137","10.1107/S0108270100002705","","","1.54184","CuKα","","0.038","0.036","","","","0.097","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010873","33.654","0.009","30.229","0.008","6.798","0.002","90","","94.74","0.01","90","","6892","3","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis-[(4,4""-didecyloxy-p-terphenyl-2'-yl)methyl]carbonate","","- C79 H110 O7 -","- C79 H110 O7 -","- C316 H440 O28 -","4","1","QB0192","Gupta, Sakuntala; Palmer, R. A.; Potter, B. S.; Frampton, C. S.; Tschierske, Carsten; SenGupta, S. P.","A double mesogen based on linked <i>p</i>-terphenyl units","Acta Crystallographica Section C","2000","56","4","e156","e156","10.1107/S0108270100003279","","","0.71073","MoKα","","0.242","0.071","","0.201","","0.13","","","1.016","","","1.16","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010874","7.68","0.0011","8.576","0.002","8.889","0.002","88.29","0.02","78.46","0.02","67.29","0.02","528.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Bis(pyridilate)nickel(II)","bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoate-O^1^,N,N']nickel(II)","","- C24 H18 N4 Ni O6 -","- C24 H16 N4 Ni O6 -","- C24 H16 N4 Ni O6 -","1","0.5","QB0193","Abrahams, Brendan F.; Hoskins, Bernard F.; Hudson, Timothy A.; Robson, Richard","Monoclinic and triclinic forms of bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoato-<i>O</i>^1^,<i>N</i>,<i>N</i>']nickel(II)","Acta Crystallographica Section C","2000","56","4","e126","e127","10.1107/S0108270100003401","","","1.5418","CuKα","","0.056","0.046","","","","0.131","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010875","7.7763","0.0008","15.736","0.002","8.839","0.0014","90","","96.56","0.011","90","","1074.5","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(pyridilate)nickel(II)","bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoate-O^1^,N,N']nickel(II)","","- C24 H18 N4 Ni O6 -","- C24 H16 N4 Ni O6 -","- C48 H32 N8 Ni2 O12 -","2","1","QB0193","Abrahams, Brendan F.; Hoskins, Bernard F.; Hudson, Timothy A.; Robson, Richard","Monoclinic and triclinic forms of bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoato-<i>O</i>^1^,<i>N</i>,<i>N</i>']nickel(II)","Acta Crystallographica Section C","2000","56","4","e126","e127","10.1107/S0108270100003401","","","1.5418","CuKα","","0.055","0.044","","","","0.116","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010876","8.7124","0.0012","9.0659","0.0005","12.7901","0.0015","87.537","0.008","86.992","0.01","87.873","0.008","1007.3","0.19","163","2","163","2","","","","","","","","3","P -1","-P 1","2","1,3,5-Tri(chloromethyl)benzene","","","- C9 H9 Cl3 -","- C9 H9 Cl3 -","- C36 H36 Cl12 -","4","2","QB0195","Bryan, Jeffrey C.; Burnett, Michael N.; Sachleben, Richard A.","1,3,5-Tris(chloromethyl)benzene","Acta Crystallographica Section C","2000","56","4","e167","e167","10.1107/S0108270100003875","","","0.71073","MoKα","","0.052","0.032","","","","0.088","","","","","","1.041","","","","has coordinates","192316","2020-10-21","18:00:00",""
"2010877","12.474","0.003","15.213","0.004","10.684","0.003","90","","105.95","0.03","90","","1949.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Hydroxy-1-methyl-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid(4-oxo-2-propyl-4H-quinazolin-3-yl)-amide","","- C22 H20 N4 O4 -","- C22 H20 N4 O4 -","- C88 H80 N16 O16 -","4","1","QB0196","Shishkina, S. V.; Shishkin, O. V.; Ukrainets, I. V.; Jaradat, N. A.; Gorokhova, O. V.","4-Hydroxy-1-methyl-2-oxo-<i>N</i>-(4-oxo-2-propyl-3,4-dihydroquinazolin-3-yl)-1,2-dihydroquinoline-3-carboxamide","Acta Crystallographica Section C","2000","56","4","e168","e169","10.1107/S0108270100003887","","","0.71073","MoKα","","0.134","0.064","","","","0.19","","","","","","0.955","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010878","6.6583","0.0001","13.733","0.002","17.414","0.001","90","","116.57","0.01","90","","1424.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BEDT-TTF","bis(ethylenedithio)tetrathiafulvalene","","- C10 H8 S8 -","- C10 H8 S8 -","- C40 H32 S32 -","4","1","SK1337","Philippe Guionneau; Daniel Chasseau; Judith A.K. Howard; Peter Day","Neutral bis(ethylenedithio)tetrathiafulvalene at 100K","Acta Crystallographica Section C","2000","56","4","453","454","10.1107/S0108270199016753","","","0.71073","MoKα","","0.0399","0.0273","","","","0.061","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010879","8.4937","0.0006","8.5226","0.0004","27.884","0.004","90","","90","","90","","2018.5","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Poly[[bis(dimethyl sulfoxide-κO)tris(thiocyanato-κN)manganese(II)]-μ- thiocyanato-κ^2^N:S-mercury(II)]","","- C8 H12 Hg Mn N4 O2 S6 -","- C8 H12 Hg Mn N4 O2 S6 -","- C32 H48 Hg4 Mn4 N16 O8 S24 -","4","1","SK1349","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong","Poly[[bis(dimethyl sulfoxide-κ<i>O</i>)tris(thiocyanato-κ<i>N</i>)manganese(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>-mercury(II)]","Acta Crystallographica Section C","2000","56","4","418","420","10.1107/S0108270199016765","","","0.71073","MoKα","","0.07","0.043","","","","0.112","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010880","12.877","0.001","15.079","0.002","16.212","0.003","65.1","0.02","71.71","0.02","69.93","0.02","2628.4","0.8","295","2","293","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-chlorobis[N-2-hydroxybuthyl)salicylideneiminato-N,O,O'copper(II)] methanol hydrate (1/1/1).","","- C45 H62 Cl4 Cu4 N4 O10 -","- C45 H62 Cl4 Cu4 N4 O10 -","- C90 H124 Cl8 Cu8 N8 O20 -","2","1","AV1033","Maniukiewicz, Waldemar; Bukowska-Strzyżewska, Maria","A 1:1 cocrystal of di-μ-chloro-bis{[<i>N</i>-(1-hydroxybut-2-yl)salicylideneiminato-<i>N</i>,<i>O</i>,<i>O</i>']copper(II)} monohydrate and its methanol solvate","Acta Crystallographica Section C","2000","56","5","562","563","10.1107/S0108270100002559","","","0.71073","MoKα","","0.0549","0.0458","","","","0.1186","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010881","9.727","0.002","13.781","0.002","9.956","0.002","90","","90.46","0.02","90","","1334.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tris-(2-cyanoethyl)isocyanuric acid","tris-(2-cyanoethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","","- C12 H12 N6 O3 -","- C12 H12 N6 O3 -","- C48 H48 N24 O12 -","4","1","BK1500","Thallapally, Praveen K.; Desiraju, Gautam R.; tris-(2-cyanoethyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione","Tris(2-cyanoethyl) isocyanurate","Acta Crystallographica Section C","2000","56","5","572","573","10.1107/S0108270100001396","","","0.71073","MoKα","","0.095","0.063","","0.19","0.157","","","","1.067","1.109","1.109","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010882","9.4539","0.0002","11.8134","0.0003","12.8999","0.0003","86.918","0.001","83.194","0.001","77.308","0.001","1395.02","0.06","193","2","","","","","","","","","","7","P -1","-P 1","2","((Trimethylsilyl)amino)gallium dichloride THF","Dichloro(tetrahydrofuran-O)[(trimethylsilyl)amido-N]gallium(III)","","- C7 H18 Cl2 Ga N O Si -","- C7 H12 Cl2 Ga N O Si -","- C28 H48 Cl8 Ga4 N4 O4 Si4 -","4","2","BK1507","Pickett, Nigel L.; Just, Oliver; VanDerveer, Donald G.; Rees Jr, William S.","Dichloro(tetrahydrofuran-<i>O</i>)[(trimethylsilyl)amido-<i>N</i>]gallium(III)","Acta Crystallographica Section C","2000","56","5","560","561","10.1107/S010827010000247X","","","0.71073","MoKα","","","0.038","","","","0.108","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010883","11.368","0.002","16.922","0.003","11.092","0.002","103.26","0.02","117.8","0.01","89.64","0.02","1824.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1,2:1,3-Bis(μ-p-toluato-O:O')-1-(triphenylphosphine-P)- 1-ruthena-closo-undecaborane","","- C34 H37 B10 O4 P Ru -","- C34 H37 B10 O4 P Ru -","- C68 H74 B20 O8 P2 Ru2 -","2","1","BK1512","Nie, Yong; Hu, Chun-Hua; Wu, Qiang-Jin; Lu, Shao-Fang; Jin, Ruo-Shui; Zheng, Pei-Ju","1,2:1,3-Bis(μ-<i>p</i>-toluato-<i>O</i>:<i>O</i>')-1-(triphenylphosphine-<i>P</i>)-1-ruthena-<i>closo</i>-undecaborane","Acta Crystallographica Section C","2000","56","5","536","537","10.1107/S0108270100001207","","","0.71069","MoKα","","0.057","0.041","","","","0.123","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010884","4.032","0.002","5.717","0.001","9.626","0.001","86.04","0.01","80.6","0.02","86.09","0.03","218.02","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,5-bis(methylthio)-1,4-benzoquinone","2,5-Bis(methylthio)-1,4-benzoquinone","","- C8 H8 O2 S2 -","- C8 H8 O2 S2 -","- C8 H8 O2 S2 -","1","0.5","BK1513","Parvez, Masood; Mesher, Shaun T.; Clark, Peter D.","2,5-Bis(methylthio)-1,4-benzoquinone and 2-methyl-3-(methylsulfonyl)benzo[<i>b</i>]thiophene","Acta Crystallographica Section C","2000","56","5","574","576","10.1107/S0108270100001402","","","1.54178","CuKα","","0.044","0.043","","","","0.111","","","","","","1.15","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010885","5.8228","0.0005","10.44","0.001","8.6217","0.0009","90","","99.57","0.01","90","","516.82","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-Methyl-3-(methylsulfonyl)benzo[b]thiophene","2-Methyl-3-(methylsulfonyl)benzo[b]thiophene","","- C10 H10 O2 S2 -","- C10 H10 O2 S2 -","- C20 H20 O4 S4 -","2","1","BK1513","Parvez, Masood; Mesher, Shaun T.; Clark, Peter D.","2,5-Bis(methylthio)-1,4-benzoquinone and 2-methyl-3-(methylsulfonyl)benzo[<i>b</i>]thiophene","Acta Crystallographica Section C","2000","56","5","574","576","10.1107/S0108270100001402","","","0.71069","MoKα","","0.046","0.029","","","","0.109","","","","","","1.19","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010886","12.3629","0.0007","6.7768","0.0004","16.9374","0.0012","90","","101.151","0.006","90","","1392.24","0.15","294","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 Na O6 -","- C12 H17 Na O6 -","- C48 H68 Na4 O24 -","4","1","BM1395","Muir, Kenneth W.; Macdonald, Alistair; Murray, Alistair; Macdonald, Allison","Sodium dihydrogen tris(cyclopropanecarboxylate)","Acta Crystallographica Section C","2000","56","5","534","535","10.1107/S0108270100001128","","","0.71073","MoKα","","","0.042","","","","0.125","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010887","17.995","0.004","16.601","0.003","16.879","0.003","90","","114.52","0.03","90","","4587.6","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 Cl2 Cu N4 O6.5 -","- C20 H25 Cl2 Cu N4 O6.5 -","- C160 H200 Cl16 Cu8 N32 O52 -","8","1","BM1397","Koman, Marian; Seglá, Peter; Jamnický, Miroslav; Glowiak, Tadeusz","Chlorobis[4,4-bis(hydroxymethyl)-2-(2-pyridyl)-4,5-dihydrooxazole-<i>N</i>,<i>N</i>']copper(II) chloride hemihydrate","Acta Crystallographica Section C","2000","56","5","554","555","10.1107/S0108270100001633","","","0.71073","MoKα","","0.0632","0.0284","","","","0.0518","","","","","","0.804","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010888","8.9439","0.0009","11.5231","0.0012","12.0135","0.0012","63.663","0.003","68.248","0.003","75.966","0.003","1026.06","0.18","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N3 O2 S -","- C25 H21 N3 O2 S -","- C50 H42 N6 O4 S2 -","2","1","BM1400","Jain, Subhash C.; Bharadvaja, Aparna; Kumar, Rohtash; Agarwal, Deepti; Errington, William","3-[4-(3,4-Dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one","Acta Crystallographica Section C","2000","56","5","592","593","10.1107/S0108270100001815","","","0.71073","MoKα","","0.0704","0.0434","","","","0.1156","","","","","","0.957","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010889","14.3618","0.0001","10.46","0.0001","7.5779","0.0001","90","","90","","90","","1138.39","0.02","190","2","190","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H16 B8 N2 -","- C5 H16 B8 N2 -","- C20 H64 B32 N8 -","4","1","BR1272","Price, Caroline; Dörfler, Udo; Kennedy, John D.; Thornton-Pett, Mark","Polyhedral azaborane chemistry, 6-(C~5~H~5~N)-<i>arachno</i>-4-NB~8~H~11~","Acta Crystallographica Section C","2000","56","5","600","601","10.1107/S0108270100002742","","","0.71073","MoKα","","0.0365","0.0348","","","","0.0931","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010890","10.066","0.001","9.681","0.002","10.234","0.001","90","","119.78","0.001","90","","865.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","potassium trinickel arsenate diarsenate","","- As3 K Ni3 O11 -","- As3 K Ni3 O11 -","- As12 K4 Ni12 O44 -","4","1","BR1273","Ben Smail, Ridha; Jouini, Tahar","KNi~3~(AsO~4~)(As~2~O~7~)","Acta Crystallographica Section C","2000","56","5","513","514","10.1107/S0108270100000792","","","0.71069","MoKα","","0.059","0.032","","0.066","","0.059","","","1.098","","","1.144","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010891","5.7354","0.0011","5.7354","0.0011","4.6635","0.0018","90","","90","","120","","132.85","0.06","298","2","298","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","potassium hexafluoro titanate","dipotassium hexafluorotitanate(IV)","","- F6 K2 Ti -","- F6 K2 Ti -","- F6 K2 Ti -","1","0.0833333","BR1278","Göbel, Ole","Rerefinement of K~2~[TiF~6~]","Acta Crystallographica Section C","2000","56","5","521","522","10.1107/S0108270100002560","","","0.71073","MoKα","","0.04","0.028","","","","0.05","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010892","6.2394","0.0008","11.6342","0.0008","14.1648","0.0012","89.697","0.007","88.44","0.009","81.32","0.008","1016.07","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Calcium(II) meso-2,3-diphenylsuccinate heptahydrate","Calcium(II) meso-2,3-diphenylsuccinate heptahydrate","","- C16 H26 Ca O11 -","- C16 H26 Ca O11 -","- C32 H52 Ca2 O22 -","2","1","DA1102","Morin, Gregory, T.; Shang, Maoyu; Smith, Bradley D.; Calcium(II) meso-2,3-diphenylsuccinate heptahydrate","Calcium(II) <i>meso</i>-2,3-diphenylsuccinate heptahydrate","Acta Crystallographica Section C","2000","56","5","544","545","10.1107/S0108270100001578","","","0.71073","MoKα","","0.035","0.032","","0.083","0.079","","","","1.057","1.056","1.056","","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2010893","8.231","0.0016","10.655","0.002","17.042","0.003","90","","102.26","0.03","90","","1460.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1-(Cp)-1-Ti-2-(Me)-3-(SiMe~3~)-2,3-C~2~B~4~H~4~)]~2~","","- C22 H42 B8 Si2 Ti2 -","- C22 H42 B8 Si2 Ti2 -","- C44 H84 B16 Si4 Ti4 -","2","0.5","DA1105","Hosmane, Narayan S.; Zheng, Chong","The dimeric mixed-ligand titanacarborane sandwich [1-(Cp)-1-Ti-2-(Me)-3-(SiMe~3~)-2,3-C~2~B~4~H~4~]~2~","Acta Crystallographica Section C","2000","56","5","525","527","10.1107/S0108270100001013","","","0.71073","MoKα","","0.0583","0.0354","","","","0.0889","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010894","7.532","0.002","9.073","0.003","14.654","0.004","90","","99.07","0.02","90","","988.9","0.5","288","2","288","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(3-methoxy-4-methyl-N-methylbenzohydroxamato-O,O') copper(II)","","- C20 H24 Cu N2 O6 -","- C20 H24 Cu N2 O6 -","- C40 H48 Cu2 N4 O12 -","2","0.5","DA1108","Baughman, Russell G.; Brink, Daniel J.; Butler, Jill M.; New, Pamela R.","Three complexes of bis(<i>N</i>-methylbenzohydroxamato-<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2000","56","5","528","531","10.1107/S0108270100001025","","","0.71073","MoKα","","0.0478","0.0345","","0.0952","","0.0873","","","1.057","","","1.112","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010895","6.5953","0.0009","19.503","0.002","7.387","0.001","90","","116.454","0.009","90","","850.7","0.2","288","2","288","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(4-chloro-N-methylbenzohydroxamato-O,O') copper(II)","","- C16 H14 Cl2 Cu N2 O4 -","- C16 H14 Cl2 Cu N2 O4 -","- C32 H28 Cl4 Cu2 N4 O8 -","2","0.5","DA1108","Baughman, Russell G.; Brink, Daniel J.; Butler, Jill M.; New, Pamela R.","Three complexes of bis(<i>N</i>-methylbenzohydroxamato-<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2000","56","5","528","531","10.1107/S0108270100001025","","","0.71073","MoKα","","0.04","0.0299","","0.0839","","0.0755","","","1.101","","","1.117","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010896","11.197","0.002","9.571","0.001","14.676","0.002","90","","107.21","0.01","90","","1502.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(3,5-dinitro-N-methylbenzohydroxamato-O,O') copper(II): chloroform (1:1)","","- C17 H13 Cl3 Cu N6 O12 -","- C18 H14 Cl6 Cu N6 O12 -","- C36 H28 Cl12 Cu2 N12 O24 -","2","0.5","DA1108","Baughman, Russell G.; Brink, Daniel J.; Butler, Jill M.; New, Pamela R.","Three complexes of bis(<i>N</i>-methylbenzohydroxamato-<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","2000","56","5","528","531","10.1107/S0108270100001025","","","0.71073","MoKα","","0.0845","0.0498","","0.1325","","0.113","","","1.05","","","1.13","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010897","15.651","0.003","16.048","0.003","24.022","0.005","90","","108.18","0.03","90","","5732","2","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(μ-3,11-diethyl-6,8-diphenyl-3,6,8,11-tetraphosphatridecane- κ^4^-P^3^,P^6^:P^8^,P^11^)dirhodium(I) bis(tetrafluoroborate)","","- C50 H80 B2 F8 P8 Rh2 -","- C50 H80 B2 F8 P8 Rh2 -","- C200 H320 B8 F32 P32 Rh8 -","4","1","DA1112","Hunt Jr, Clinton; Nelson, Brent D.; Harmon, Elisa G.; Fronczek, Frank R.; Watkins, Steven F.; Billodeaux, Damon R.; Stanley, George G.","A binuclear rhodium(I) complex with two tetraphosphine ligands at 100K","Acta Crystallographica Section C","2000","56","5","546","548","10.1107/S010827010000158X","","","0.71073","MoKα","","0.049","0.038","","0.095","0.089","","","","1.04","1.03","1.03","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010898","17.472","0.004","4.9237","0.001","9.956","0.002","90","","94.08","0.03","90","","854.3","0.3","293","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","1,3(R):4,6(R)-di-O-benzylidene-D-mannitol","","- C20 H22 O6 -","- C20 H22 O6 -","- C40 H44 O12 -","2","0.5","DA1113","Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.","1,3(<i>R</i>):4,6(<i>R</i>)-Di-<i>O</i>-benzylidene-<small>D</small>-mannitol","Acta Crystallographica Section C","2000","56","5","582","583","10.1107/S0108270100001591","","","1.54184","CuKα","","0.034","0.033","","","","0.093","","","","","","0.933","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010899","5.902","0.001","8.628","0.002","12.949","0.002","95.02","0.01","93.34","0.01","102.45","0.01","639.4","0.2","289","2","289","2","","","","","","","","4","P -1","-P 1","2","","2,2,5,5,8,8-hexamethyl-4,5,7,8-tetrahydroimidazo[1,2-a]pyrazine- -3,6-dione","","- C12 H19 N3 O2 -","- C12 H19 N3 O2 -","- C24 H38 N6 O4 -","2","1","DA1114","Basiuk, Vladimir A.; Van Meervelt, Luc; Soloshonok, Vadim A.; Basiuk, Elena V.","2,2,5,5,8,8-Hexamethyl-2,3,5,6,7,8-hexahydroimidazo[1,2-<i>a</i>]pyrazine-3,6-dione, a bicyclic product of α-aminoisobutyric acid condensation","Acta Crystallographica Section C","2000","56","5","598","599","10.1107/S0108270100002766","","","0.71073","MoKα","","0.0679","0.0424","","","","0.1164","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010900","13.2543","0.0009","25.7694","0.0018","3.8521","0.0002","90","","90","","90","","1315.71","0.15","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","1,2,7,8 dibenzofluorenone","13H-dibenzo[a,i]fluoren-13-one","","- C21 H12 O -","- C21 H12 O -","- C84 H48 O4 -","4","0.5","DA1115","Morris, David G.; Higgins, Sean; Ryder, Karl S.; Howie, R. Alan; Muir, Kenneth W.","13<i>H</i>-Dibenzo[<i>a</i>,<i>i</i>]fluoren-13-one","Acta Crystallographica Section C","2000","56","5","570","571","10.1107/S0108270100001049","","","0.71073","MoKα","","0.116","0.054","","","","0.167","","","","","","1.004","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010901","8.32","0.002","11.222","0.003","12.409","0.003","115.317","0.004","107.351","0.004","92.688","0.004","979","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","bis(diethoxyselenophosphinoyl) triselenide","","- C8 H20 O4 P2 Se5 -","- C8 H20 O4 P2 Se5 -","- C16 H40 O8 P4 Se10 -","2","1","DA1125","Béreau, Virginie; Ibers, James A.","Bis(diethoxyselenophosphinoyl) triselenide and bis(diisopropoxyselenophosphinoyl) diselenide","Acta Crystallographica Section C","2000","56","5","584","586","10.1107/S0108270100001608","","","0.71073","MoKα","","0.029","0.021","","","","0.054","","","","","","0.902","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010902","8.3796","0.001","8.5314","0.001","8.5577","0.001","98.668","0.002","111.851","0.002","93.459","0.002","556.81","0.11","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","bis(diisopropoxyselenophosphinoyl) diselenide","","- C12 H28 O4 P2 Se4 -","- C12 H28 O4 P2 Se4 -","- C12 H28 O4 P2 Se4 -","1","0.5","DA1125","Béreau, Virginie; Ibers, James A.","Bis(diethoxyselenophosphinoyl) triselenide and bis(diisopropoxyselenophosphinoyl) diselenide","Acta Crystallographica Section C","2000","56","5","584","586","10.1107/S0108270100001608","","","0.71073","MoKα","","0.029","0.026","","","","0.071","","","","","","1.33","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010903","5.794","0.004","4.719","0.005","28.688","0.005","90","","95.08","0.03","90","","781.3","1","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","gallic acid monohydrate","3,4,5-trihydroxybenzoic acid monohydrate","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","DE1123","Jiang, Ren-Wang; Ming, Dong-Sheng; But, Paul P. H.; Mak, Thomas C. W.","Gallic acid monohydrate","Acta Crystallographica Section C","2000","56","5","594","595","10.1107/S0108270100001827","","","0.71073","MoKα","","0.083","0.042","","0.112","","0.127","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010904","6.802","0.0011","6.066","0.002","7.804","0.0013","90","","112.61","0.011","90","","297.25","0.12","125","","125","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","picolinic acid N-oxide","2-carboxypyridine-N-oxide'","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C12 H10 N2 O6 -","2","0.5","DE1129","Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan","Strong intramolecular O—H···O hydrogen bonds in quinaldic acid <i>N</i>-oxide and picolinic acid <i>N</i>-oxide","Acta Crystallographica Section C","2000","56","5","577","579","10.1107/S0108270100001475","","","0.71073","MoKα","","0.0405","0.0344","","","","0.0955","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010905","3.821","0.003","16.2406","0.001","13.062","0.003","90","","91.01","0.01","90","","810.4","0.7","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","quinaldic acid N-oxide","2-carboxyquinoline-N-oxide","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C40 H28 N4 O12 -","4","1","DE1129","Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan","Strong intramolecular O—H···O hydrogen bonds in quinaldic acid <i>N</i>-oxide and picolinic acid <i>N</i>-oxide","Acta Crystallographica Section C","2000","56","5","577","579","10.1107/S0108270100001475","","","0.71073","MoKα","","0.063","0.0439","","","","0.1148","","","","","","1.089","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010906","14.518","0.009","13.701","0.007","23.924","0.004","90","","106.59","0.04","90","","4561","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H38 N Ti -","- C25 H38 N Ti -","- C200 H304 N8 Ti8 -","8","1","FG1577","Ellis, Dianne D.; Spek, Anthony L.","[η^5^,σ-3,3-Dimethyl-1-(2,3,4,5-tetramethylcyclopentadienyl)but-1-en-2-amino](η^5^-pentamethylcyclopentadienyl)titanium","Acta Crystallographica Section C","2000","56","5","558","559","10.1107/S0108270100002158","","","0.71073","MoKα","","0.0995","0.0555","","","","0.1616","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010907","16.9096","0.0017","18.351","0.002","8.35","0.002","90","","90","","90","","2591.1","0.7","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C28 H40 O8 -","- C28 H40 O8 -","- C112 H160 O32 -","4","0.5","FG1578","Ellis, Dianne D.; Spek, Anthony L.","1,3:16,18-Bis(xylyl)-30-crown-8","Acta Crystallographica Section C","2000","56","5","596","597","10.1107/S010827010000250X","","","0.71073","MoKα(Zr-filtered)","","0.0584","0.0429","","","","0.1093","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010908","11.327","0.001","7.054","0.001","12.381","0.001","90","","90","","90","","989.25","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","selenitotetrammine cobaltate(III) nitrate, monohydrate","","- Co H14 N5 O7 Se -","- Co H14 N5 O7 Se -","- Co4 H56 N20 O28 Se4 -","4","0.5","FR1235","Emara, A. A. A.; Krause Bauer, Jeanette A.; Galal, A.","Tetraammine(selenito-<i>O</i>,<i>O</i>')cobaltate(III) nitrate monohydrate","Acta Crystallographica Section C","2000","56","5","515","517","10.1107/S010827010000127X","","","0.71073","MoKα","","0.0369","0.0295","","","","0.0645","","","","","","1.121","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010909","23.12","0.02","12.566","0.009","19.142","0.01","90","","93.32","0.07","90","","5552","7","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Z)-N-(Bromomagnesio)-1-(2-naphthylmethoxy)propan-2-imine","","- C58 H76 Br2 Mg2 N2 O6 -","- C58 H76 Br2 Mg2 N2 O6 -","- C232 H304 Br8 Mg8 N8 O24 -","4","0.5","FR1246","Charette, André B.; Gagnon, Alexandre; Bélanger-Gariépy, Francine","(<i>Z</i>)-Bis{μ-[1-(2-naphthylmethyloxy)propan-2-iminato-<i>O</i>,<i>N</i>:<i>N</i>]}bis[bromobis(tetrahydrofuran-<i>O</i>)magnesium] ditoluene solvate","Acta Crystallographica Section C","2000","56","5","538","540","10.1107/S0108270100001281","","","1.54056","CuKα","","0.1056","0.043","","0.0891","","0.0765","","","0.777","","","0.981","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010910","10.5873","0.0004","17.583","0.0007","18.0564","0.0007","90","","93.303","0.001","90","","3355.7","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Fe P2 Pd S2 -","- C34 H46 Fe P2 Pd S2 -","- C136 H184 Fe4 P8 Pd4 S8 -","4","1","FR1253","Ilia A. Guzei; Letladi L. Maisela; James Darkwa","[Ferrocene-1,1'-diylbis(diisopropylphosphine-<i>P</i>)]bis(phenylthio)palladium(II)","Acta Crystallographica Section C","2000","56","5","564","565","10.1107/S0108270100000172","","","0.71073","MoKα","","0.0448","0.028","","","","0.0519","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010911","6.2605","0.0007","12.0422","0.0008","18.193","0.002","105.689","0.007","95.477","0.009","95.672","0.007","1303.3","0.2","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 N O -","- C14 H21 N O -","- C56 H84 N4 O4 -","4","2","FR1259","Luck, Rudy L.; Mendenhall, G. David","2,4,4-Trimethyl-2-phenyl-3-pentanone oxime","Acta Crystallographica Section C","2000","56","5","602","603","10.1107/S0108270100002754","","","0.71069","MoKα","","","0.038","","","","0.105","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010912","5.9384","0.0004","12.3808","0.0009","17.2097","0.0014","90","","90","","90","","1265.29","0.16","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S)-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)pentanoic acid","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","GD1085","Gallagher, John F.; Brady, Fiona","O—H···O, C—H···O and C—H···π~arene~ intermolecular interactions in (2<i>S</i>)-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)pentanoic acid and (2<i>S</i>)-3-methyl-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)butanoic acid","Acta Crystallographica Section C","2000","56","5","619","622","10.1107/S0108270100003553","","","0.7107","MoKα","","0.047","0.029","","","","0.076","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010913","5.8767","0.0006","9.9036","0.0013","10.4818","0.0015","103.332","0.013","99.759","0.011","89.792","0.011","584.62","0.13","294","1","294","1","","","","","","","","4","P 1","P 1","1","","(2S)-3-methyl-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)butanoic acid","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","2","GD1085","Gallagher, John F.; Brady, Fiona","O—H···O, C—H···O and C—H···π~arene~ intermolecular interactions in (2<i>S</i>)-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)pentanoic acid and (2<i>S</i>)-3-methyl-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)butanoic acid","Acta Crystallographica Section C","2000","56","5","619","622","10.1107/S0108270100003553","","","0.7107","MoKα","","0.06","0.048","","","","0.112","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010914","9.101","0.001","6.073","0.001","10.312","0.001","90","","106.28","0.01","90","","547.09","0.12","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-méthyl succinimide","","- C5 H7 N O2 -","- C5 H7 N O2 -","- C20 H28 N4 O8 -","4","1","GS1047","Tenon, J.A.; Carles, M.; Aycard, J.P.","<i>N</i>-Méthyl succinimide","Acta Crystallographica Section C","2000","56","5","568","569","10.1107/S0108270199016170","","","0.71073","Mo-Kα","","0.068","0.042","","","","0.053","","","","","","1.869","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010915","7.2516","0.0007","10.723","0.003","12.142","0.006","90","","115.8","0.01","90","","850","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tétradihydrogénophosphate de cobalt et de sodium tétrahydrate","","- Co H16 Na2 O20 P4 -","- Co H16 Na2 O20 P4 -","- Co2 H32 Na4 O40 P8 -","2","0.5","GS1053","Guesmi, Abderrahmen; Zid, Mohamed Faouzi; Driss, Ahmed","Na~2~Co(H~2~PO~4~)~4~·4H~2~O","Acta Crystallographica Section C","2000","56","5","511","512","10.1107/S0108270199015279","","","0.71069","MoKα","","0.021","0.02","","0.057","","0.056","","","1.171","","","1.186","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010916","9.323","0.005","18.038","0.005","10.968","0.005","90","","106.57","0.005","90","","1767.9","1.3","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","methyl (1S,2S,3R,4R)-2-benzamido-3-(1,2-dihydroxyethyl)bicyclo [2.2.1]heptane-2-carboxylate","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","2","JZ1375","Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.","Two new conformationally restricted 4,5-dihydroxynorvaline analogues with a norbornane skeleton","Acta Crystallographica Section C","2000","56","5","587","591","10.1107/S0108270100001645","","","0.71073","MoKα","","","0.04","","","","0.093","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010917","7.187","0.005","11.72","0.005","20.258","0.005","90","","90","","90","","1706.4","1.5","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (1R,2S,3R,4S)-2-benzamido-3-(1,2-dihydroxyethyl)bicyclo[2.2.1]heptane-2- carboxylate","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","JZ1375","Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.","Two new conformationally restricted 4,5-dihydroxynorvaline analogues with a norbornane skeleton","Acta Crystallographica Section C","2000","56","5","587","591","10.1107/S0108270100001645","","","0.71073","MoKα","","","0.029","","","","0.07","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010918","7.499","0.001","9.114","0.002","16.717","0.002","86.06","0.02","88.61","0.01","76.73","0.02","1109.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","5-nitro-2-thiofuranilide","N-phenyl-5-nitro-2-thiofuramide","","- C11 H8 N2 O3 S -","- C11 H8 N2 O3 S -","- C44 H32 N8 O12 S4 -","4","2","JZ1378","Pavlović, Gordana; Mance, Ana Dunja; Jakopčić, Krešimir","5-Nitro-<i>N</i>-phenyl-2-thiofuramide","Acta Crystallographica Section C","2000","56","5","604","606","10.1107/S0108270100002882","","","0.71073","MoKα","","0.0947","0.0452","","","","0.1304","","","","","","0.958","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010919","7.1766","0.0001","7.8911","0.0001","13.7036","0.0001","90","","90","","90","","776.052","0.016","173","2","173","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Cl4 N2 Si -","- C12 H14 Cl4 N2 Si -","- C24 H28 Cl8 N4 Si2 -","2","0.25","LN1098","Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael","Complexes of mixed silicon halides with 4-picoline","Acta Crystallographica Section C","2000","56","5","610","613","10.1107/S010827010000278X","","","0.71073","MoKα","","0.0216","0.0202","","","","0.0579","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010920","7.177","0.001","7.962","0.001","13.557","0.001","90","","90","","90","","774.69","0.16","173","2","173","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H14 Br Cl3 N2 Si -","- C12 H14 Br Cl3 N2 Si -","- C24 H28 Br2 Cl6 N4 Si2 -","2","0.25","LN1098","Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael","Complexes of mixed silicon halides with 4-picoline","Acta Crystallographica Section C","2000","56","5","610","613","10.1107/S010827010000278X","","","0.71073","MoKα","","0.0542","0.0402","","","","0.1114","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010921","7.252","0.002","8.12","0.002","13.54","0.003","90","","90","","90","","797.3","0.3","173","2","173","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H14 Br2 Cl2 N2 Si -","- C12 H14 Br2 Cl2 N2 Si -","- C24 H28 Br4 Cl4 N4 Si2 -","2","0.25","LN1098","Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael","Complexes of mixed silicon halides with 4-picoline","Acta Crystallographica Section C","2000","56","5","610","613","10.1107/S010827010000278X","","","0.71073","MoKα","","0.0352","0.0272","","","","0.0634","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010922","7.296","0.001","8.211","0.001","13.472","0.001","90","","90","","90","","807.07","0.16","173","2","173","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C12 H14 Br3 Cl N2 Si -","- C12 H14 Br3 Cl N2 Si -","- C24 H28 Br6 Cl2 N4 Si2 -","2","0.25","LN1098","Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael","Complexes of mixed silicon halides with 4-picoline","Acta Crystallographica Section C","2000","56","5","610","613","10.1107/S010827010000278X","","","0.71073","MoKα","","0.0343","0.0235","","","","0.0521","","","","","","1.161","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010923","7.3298","0.0002","8.2819","0.0003","13.4126","0.0003","90","","90","","90","","814.21","0.04","143","2","143","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Br4 N2 Si -","- C12 H14 Br4 N2 Si -","- C24 H28 Br8 N4 Si2 -","2","0.25","LN1098","Hensen, Karl; Mayr-Stein, Ralf; Spangenberg, Björn; Bolte, Michael","Complexes of mixed silicon halides with 4-picoline","Acta Crystallographica Section C","2000","56","5","610","613","10.1107/S010827010000278X","","","0.71073","MoKα","","0.0405","0.0277","","","","0.0653","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010924","16.241","0.002","16.241","0.002","15.21","0.003","90","","90","","90","","4011.9","1.1","173","2","173","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C25 H29 Cl5 I6 N4 Si -","- C25 H29 Cl5 I6 N4 Si -","- C100 H116 Cl20 I24 N16 Si4 -","4","0.25","LN1099","Hensen, Karl; Mayr-Stein, Ralf; Rühl, Stephan; Bolte, Michael","<i>trans</i>-Dichlorotetrakis(4-methylpyridine)silicon bis(triiodide) chloroform solvate","Acta Crystallographica Section C","2000","56","5","614","615","10.1107/S0108270100002791","","","0.71073","MoKα","","0.0549","0.0412","","","","0.0962","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010925","22.934","0.005","13.481","0.003","24.904","0.005","90","","115.65","0.03","90","","6941","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(2,2'-bipyridyl)nickel(II) thiosulfate heptahydrate","","- C30 H38 N6 Ni O10 S2 -","- C30 H32 N6 Ni O10.007 S2 -","- C240 H256 N48 Ni8 O80.056 S16 -","8","1","NA1452","Eleonora Freire; Sergio Baggio; Alvaro Mombru; Ricardo Baggio","Tris(2,2'-bipyridyl-<i>N</i>,<i>N</i>')nickel(II) thiosulfate heptahydrate","Acta Crystallographica Section C","2000","56","5","541","543","10.1107/S0108270100001414","","","0.71073","MoKα","","0.112","0.059","","","","0.209","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010926","7.471","0.001","13.988","0.001","15.739","0.002","90","","90","","90","","1644.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2',3'-didehydro-2',3'-O-dideoxythymidine (D4T) 1-methylpyrrolidone (NMPO) solvate","1-(2',3'-dideoxy-β-D-glycero-pent-2-enofuranosyl)thimine 1-methylpyrrolidone","","- C15 H21 N3 O5 -","- C15 H21 N3 O5 -","- C60 H84 N12 O20 -","4","1","NA1454","Viterbo, Davide; Milanesio, Marco; Pomés Hernández, Ramón; Rodríguez Tanty, Chryslaine; Colás González, Ivan; Sablón Carrazana, Marquiza; Duque Rodríguez, Julio","2',3'-Didehydro-3'-deoxythymidine <i>N</i>-methyl-2-pyrrolidone solvate (D4T·NMPO)","Acta Crystallographica Section C","2000","56","5","580","581","10.1107/S0108270100001451","","","0.71069","MoKα","","0.0992","0.0584","","","","0.1553","","","","","","0.998","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010927","6.894","0.001","10.675","0.001","11.878","0.002","73.19","0.01","79.75","0.01","84.91","0.01","822.8","0.2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","Bis(vanillin thiosemicarbazonato)nickel(II) ethanol solvate","","- C26 H44 N6 Ni O8 S2 -","- C26 H44 N6 Ni O8 S2 -","- C26 H44 N6 Ni O8 S2 -","1","0.5","OS1098","Akinchan, Narayan T.; Abram, Ulrich","Bis(4-hydroxy-3-methoxybenzaldehyde thiosemicarbazonato-<i>N</i>^1^,<i>S</i>)nickel(II) tetraethanol solvate","Acta Crystallographica Section C","2000","56","5","549","550","10.1107/S0108270100001657","","","1.54184","CuKα","","0.0531","0.0521","","","","0.1515","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010928","9.6424","0.0009","14.861","0.002","17.021","0.002","107.604","0.003","101.474","0.002","106.528","0.002","2117.6","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H54 Fe2 N24 Ni3 O3 -","- C24 H54 Fe2 N24 Ni3 O3 -","- C48 H108 Fe4 N48 Ni6 O6 -","2","1","OS1101","Jakob Østerberg Eriksen; Alan Hazell; Astrid Jensen; Josua Jepsen; Rasmus Damgaard Poulsen","Bimetallic assemblies, [Ni(en)~2~]~3~[<i>M</i>(CN)~6~]~2~·3H~2~O (en = H~2~NCH~2~CH~2~NH~2~; <i>M</i> = Fe, Co)","Acta Crystallographica Section C","2000","56","5","551","553","10.1107/S0108270100001670","","","0.71073","MoKα","","","0.024","","","","0.033","","","","","","1.139","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010929","9.6303","0.0008","14.787","0.001","16.951","0.001","107.5","0.002","101.464","0.002","106.652","0.002","2095.6","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H54 Co2 N24 Ni3 O3 -","- C24 H54 Co2 N24 Ni3 O3 -","- C48 H108 Co4 N48 Ni6 O6 -","2","1","OS1101","Jakob Østerberg Eriksen; Alan Hazell; Astrid Jensen; Josua Jepsen; Rasmus Damgaard Poulsen","Bimetallic assemblies, [Ni(en)~2~]~3~[<i>M</i>(CN)~6~]~2~·3H~2~O (en = H~2~NCH~2~CH~2~NH~2~; <i>M</i> = Fe, Co)","Acta Crystallographica Section C","2000","56","5","551","553","10.1107/S0108270100001670","","","0.71073","MoKα","","","0.028","","","","0.04","","","","","","1.385","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010930","13.4892","0.0003","6.8637","0.0001","10.6908","0.0001","90","","90","","90","","989.82","0.03","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","CTA","","","- As Cs O5 Ti -","- As Cs O5 Ti -","- As8 Cs8 O40 Ti8 -","8","2","OS1106","Nordborg, Jenni","Alkaline positions in CsTiOAsO~4~","Acta Crystallographica Section C","2000","56","5","518","520","10.1107/S010827010000130X","","","0.71073","MoKα","","0.082","0.038","","0.031","","0.026","","","1.887","","","1.993","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010931","13.4892","0.0003","6.8637","0.0001","10.6908","0.0001","90","","90","","90","","989.82","0.03","297","2","197","2","","","","","","","","4","P n a 21","P 2c -2n","33","CTA","","","- As Cs O5 Ti -","- As Cs O5 Ti -","- As8 Cs8 O40 Ti8 -","8","2","OS1106","Nordborg, Jenni","Alkaline positions in CsTiOAsO~4~","Acta Crystallographica Section C","2000","56","5","518","520","10.1107/S010827010000130X","","","0.71073","MoKα","","0.078","0.034","","0.029","","0.023","","","1.729","","","1.763","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010932","13.4623","0.0001","6.8484","0.0001","10.7075","0.0001","90","","90","","90","","987.18","0.019","183","1","183","1","","","","","","","","4","P n a 21","P 2c -2n","33","CTA","","","- As Cs O5 Ti -","- As Cs O5 Ti -","- As8 Cs8 O40 Ti8 -","8","2","OS1106","Nordborg, Jenni","Alkaline positions in CsTiOAsO~4~","Acta Crystallographica Section C","2000","56","5","518","520","10.1107/S010827010000130X","","","0.71073","MoKα","","0.096","0.043","","0.037","","0.03","","","1.879","","","1.996","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010933","11.384","0.001","10.202","0.001","14.942","0.002","90","","146.816","0.006","90","","949.8","0.2","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C40 H36 N4 O8 S4 -","4","1","QA0206","Keita, A.; Ahabchane, N.; Essassi, E. M.; Pierrot, M.","2-Acetyl-4<i>H</i>-benzothiazin-3(2<i>H</i>)-one","Acta Crystallographica Section C","2000","56","5","e227","e227","10.1107/S0108270100005692","","","0.71073","MoKα","","0.035","0.032","","0.045","","0.045","","","1.178","","","1.21","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010934","6.7152","0.0003","10.1507","0.0005","15.5447","0.0009","90","","90","","90","","1059.59","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Azacyclopentylidene(pentacarbonyl)chromium(0)","","- C9 H7 Cr N O5 -","- C9 H7 Cr N O5 -","- C36 H28 Cr4 N4 O20 -","4","1","QA0221","Nieger, Martin; Haase, Wilm-Christian; Dötz, Karl Heinz","An N-unprotected Fischer pyrrolidinylidene complex","Acta Crystallographica Section C","2000","56","5","e174","e175","10.1107/S0108270100004479","","","0.71073","MoKα","","0.029","0.024","","","","0.057","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010935","11.2427","0.0002","13.3736","0.0002","12.4932","0.0002","90","","108.109","0.001","90","","1785.38","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-oxo-bis-{oxo[N,N'-2,2-dimethylpropane-1,3- diylbis(salicylideneiminato)]rhenium (V)}","","- C38 H40 N4 O7 Re2 -","- C38 H40 N4 O7 Re2 -","- C76 H80 N8 O14 Re4 -","2","0.5","QA0249","Huang, Wen-Tao; Lo, Jem-Mau; Yao, Hsueh-Hua; Liao, Fen-Ling","μ-Oxo-bis{{2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}oxorhenium(V)}","Acta Crystallographica Section C","2000","56","5","e172","e173","10.1107/S0108270100004455","","","0.71073","MoKα","","0.058","0.038","","","","0.084","","","","","","1.013","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010936","10.88","0.002","16.458","0.002","21.261","0.002","90","","90","","90","","3807.1","0.9","248","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cyclohex-1-enecarbothioic acid benzyl-(4-methoxy-phenyl)-amide","","- C21 H23 N O S -","- C21 H23 N O S -","- C168 H184 N8 O8 S8 -","8","1","QA0251","Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu","<i>N</i>-Benzyl-<i>N</i>-(4-methoxyphenyl)cyclohex-1-enecarbothioamide","Acta Crystallographica Section C","2000","56","5","e221","e221","10.1107/S0108270100004467","","","1.54184","CuKα","","","0.062","","","","0.168","","","","","","1.24","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010937","13.278","0.002","11.34","0.003","15.94","0.002","90","","101.12","0.01","90","","2355.1","0.8","297","1","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 O3 V -","- C28 H22 N2 O3 V -","- C112 H88 N8 O12 V4 -","4","1","QA0255","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","The <i>exo</i> and <i>endo</i> isomers of [<i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediyldiaminato]oxovanadium(IV)","Acta Crystallographica Section C","2000","56","5","e188","e189","10.1107/S0108270100004509","","","0.71073","MoKα","","","0.047","","","","0.133","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010938","17.671","0.006","21.635","0.007","12.565","0.004","90","","90","","90","","4804","3","297","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H22 N2 O3 V -","- C28 H22 N2 O3 V -","- C224 H176 N16 O24 V8 -","8","1","QA0255","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","The <i>exo</i> and <i>endo</i> isomers of [<i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediyldiaminato]oxovanadium(IV)","Acta Crystallographica Section C","2000","56","5","e188","e189","10.1107/S0108270100004509","","","0.71073","MoKα","","","0.055","","","","0.193","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010939","10.124","0.004","12.672","0.003","9.632","0.002","110.83","0.02","96.36","0.03","85.32","0.03","1146.6","0.6","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Mn N3 O2 -","- C28 H22 Mn N3 O2 -","- C56 H44 Mn2 N6 O4 -","2","1","QA0256","Iwamoto, Hirofumi; Tsuchimoto, Masanobu; Ohba, Shigeru","[1,2-Diphenyl-<i>N</i>,<i>N</i>'-bis(salicylidene)-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato]nitridomanganese(V)","Acta Crystallographica Section C","2000","56","5","e187","e187","10.1107/S0108270100004492","","","0.71073","MoKα","","","0.033","","","","0.09","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010940","9.123","0.001","13.219","0.002","9.82","0.001","90","","112.17","0.06","90","","1096.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(triethanolamine)nickel(II) acetate","","- C16 H36 N2 Ni O10 -","- C16 H36 N2 Ni O10 -","- C32 H72 N4 Ni2 O20 -","2","0.5","QA0257","Krabbes, Ingmar; Seichter, Wilhelm; Gloe, Karsten","Bis(triethanolamine-<i>O</i>,<i>O</i>')nickel(II) diacetate","Acta Crystallographica Section C","2000","56","5","e178","e178","10.1107/S0108270100004819","","","0.71073","MoKα","","0.037","0.03","","0.082","","0.077","","","0.983","","","0.996","","","","has coordinates,has Fobs","192027","2020-10-21","18:00:00",""
"2010941","21.957","0.004","20.518","0.002","7.522","0.001","90","","90","","90","","3388.8","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N'-(4-(1,1-dimethylpropyl)-benzylidene)-2-pyridinecarboxamidrazone","","- C18 H22 N4 -","- C18 H22 N4 -","- C144 H176 N32 -","8","1","QA0258","Billington, David C.; Lowe, Philip R.; Rathbone, Daniel L.; Schwalbe, Carl H.","A new amidrazone derivative with antimycobacterial activity","Acta Crystallographica Section C","2000","56","5","e211","e212","10.1107/S0108270100004807","","","1.5418","CuKα","","0.153","0.072","","","","0.231","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010942","12.812","0.011","7.185","0.007","17.835","0.015","90","","99.61","0.07","90","","1619","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2'-Dipyridylaminepentacarbonyltungsten(0)","","- C15 H9 N3 O5 W -","- C15 H9 N3 O5 W -","- C60 H36 N12 O20 W4 -","4","1","QA0259","Creaven, Bernadette S.; Howie, R. Alan; Long, Conor","Pentacarbonyl(di-2-pyridylamine)tungsten(0)","Acta Crystallographica Section C","2000","56","5","e181","e182","10.1107/S0108270100004728","","","0.71073","MoKα","","0.063","0.037","","","","0.082","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010943","14.0672","0.0013","12.692","0.001","15.5238","0.0017","90","","92.972","0.009","90","","2767.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 Cl N O -","- C35 H26 Cl N O -","- C140 H104 Cl4 N4 O4 -","4","1","QA0260","Kabak, Mehmet; Elerman, Yalc̨in; Güner, Vildan; Durlu, Tahsin Nuri","<i>N</i>-(<i>p</i>-Chlorophenyl)-3,3-diphenyl-4-(β-phenylstyryl)azetidin-2-one","Acta Crystallographica Section C","2000","56","5","e207","e208","10.1107/S0108270100004546","","","0.71069","MoKα","","0.117","0.048","","","","0.165","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010944","8.949","0.011","14.302","0.016","17.53","0.016","94.89","0.08","83.79","0.08","96.24","0.09","2211","4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","p-Nitrobenzoato-triphenyl-tin","","- C25 H19 N O4 Sn -","- C25 H19 N O4 Sn -","- C100 H76 N4 O16 Sn4 -","4","2","QA0261","Howie, R. Alan; Wardell, James L.; Wardell, Solange M.S.V.; Cox, Philip J.","(<i>p</i>-Nitrobenzoato)triphenyltin at 298K","Acta Crystallographica Section C","2000","56","5","e179","e180","10.1107/S0108270100004510","","","0.71073","MoKα","","0.07","0.038","","","","0.088","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010945","32.529","0.004","11.877","0.005","18.909","0.007","90","","121.01","0.01","90","","6261","4","297","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 N2 O3 V -","- C36 H38 N2 O3 V -","- C288 H304 N16 O24 V8 -","8","1","QA0262","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","<i>exo</i>-[<i>N</i>,<i>N</i>'-Bis(3-<i>tert</i>-butylsalicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediyldiaminato]oxovanadium(IV)","Acta Crystallographica Section C","2000","56","5","e190","e190","10.1107/S0108270100004534","","","0.71073","MoKα","","","0.061","","","","0.219","","","","","","1.18","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010946","11.172","0.001","9.337","0.001","15.634","0.001","90","","94.1","0.01","90","","1626.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O6 -","- C19 H15 N O6 -","- C76 H60 N4 O24 -","4","1","QA0263","Filali Baba, Bouchra; Kerbal, Abdelali; Bitit, Najib; El-Bali, Brahim; Escudie, Jean; Ranaivonjatovo, Henry; Bolte, Michael","Methyl 3-<i>para</i>-anisyl-4-(2-hydroxybenzoyl)isoxazole-5-carboxylate","Acta Crystallographica Section C","2000","56","5","e205","e206","10.1107/S0108270100004522","","","0.71073","MoKα","","0.053","0.04","","","","0.105","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010947","15.408","0.001","10.256","0.001","19.402","0.001","90","","107.91","0.01","90","","2917.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N4 O6 S2 -","- C26 H32 N4 O6 S2 -","- C104 H128 N16 O24 S8 -","4","1","QA0264","Camí, Gerardo; Server-Carrió, Juan; Fustero, Santos; Pedregosa, José","A novel heterocyclic sulfonamide: <i>N</i>-benzyl-5-[<i>N</i>-benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)amino]-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)-1,3,4-thiadiazole-2-sulfonamide","Acta Crystallographica Section C","2000","56","5","e209","e210","10.1107/S0108270100004741","","","0.7107","MoKα","","0.092","0.049","","","","0.156","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010948","15.942","0.001","6.3738","0.0004","20.895","0.002","90","","111.129","0.007","90","","1980.4","0.3","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl3 O2 S2 Sn -","- C15 H17 Cl3 O2 S2 Sn -","- C60 H68 Cl12 O8 S8 Sn4 -","4","1","QA0265","Gambardella, Maria Teresa do Prado; Francisco, Regina Helena Porto; Rodrigues, Ana Maria G. Dias; de Sousa, Gerimário Freitas","<i>catena</i>-Poly[<i>fac</i>-trichloromethyltin(IV)-μ-[<i>meso</i>-1,2-bis(phenylsulfinyl)ethane-<i>O</i>:<i>O</i>']]","Acta Crystallographica Section C","2000","56","5","e176","e177","10.1107/S010827010000473X","","","0.71073","MoKα","","0.068","0.031","","","","0.087","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010949","8.2971","0.0011","9.4297","0.0014","9.648","0.0013","68.794","0.012","67.62","0.009","67.565","0.01","624.14","0.16","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","(1R^*^,2R^*^)-1,2-o-(2',3'-dimethoxybutane-2',3'-diyl)-cyclohexane","","- C12 H22 O4 -","- C12 H22 O4 -","- C24 H44 O8 -","2","1","QA0268","Weinig, Hans-Georg; Koert, Ulrich; Ziemer, Burkhard","(1<i>R</i>*,2<i>R</i>*)-1,2-(2,3-Dimethoxybutane-2,3-dioxy)cyclohexane","Acta Crystallographica Section C","2000","56","5","e218","e218","10.1107/S0108270100005485","","","0.71073","MoKα","","0.045","0.039","","","","0.112","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010950","10.661","0.002","11.852","0.002","13.501","0.003","76.85","0.03","81.35","0.03","72.12","0.03","1575","0.6","150","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N2 O4 S -","- C14 H20 N2 O4 S -","- C56 H80 N8 O16 S4 -","4","2","QA0270","Coles, Simon J.; Douheret, David; Hursthouse, Michael B.; Kilburn, Jeremy D.; Rossi, Sara","<i>tert</i>-Butyl 2-[2-(ethoxycarbothioylamino)-3-pyridyloxy]acetate and <i>tert</i>-butyl 2-(3-thioxopyrido[2,1-<i>c</i>][1,2,4]thiadiazol-8-yloxy)acetate","Acta Crystallographica Section C","2000","56","5","e224","e226","10.1107/S0108270100005667","","","0.71073","MoKα","","","0.039","","","","0.123","","","","","","0.883","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010951","15.521","0.003","6.827","0.001","13.574","0.003","90","","100.06","0.03","90","","1416.2","0.5","150","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O3 S2 -","- C12 H14 N2 O3 S2 -","- C48 H56 N8 O12 S8 -","4","1","QA0270","Coles, Simon J.; Douheret, David; Hursthouse, Michael B.; Kilburn, Jeremy D.; Rossi, Sara","<i>tert</i>-Butyl 2-[2-(ethoxycarbothioylamino)-3-pyridyloxy]acetate and <i>tert</i>-butyl 2-(3-thioxopyrido[2,1-<i>c</i>][1,2,4]thiadiazol-8-yloxy)acetate","Acta Crystallographica Section C","2000","56","5","e224","e226","10.1107/S0108270100005667","","","0.71073","MoKα","","","0.039","","","","0.122","","","","","","0.807","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010952","9.681","0.002","18.474","0.002","15.786","0.002","90","","95.27","0.01","90","","2811.3","0.7","298","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 N2 O8 V -","- C31 H26 N2 O8 V -","- C124 H104 N8 O32 V4 -","4","1","QA0271","Uemura, Ryushi; Tsuchimoto, Masanobu; Ohba, Shigeru","[<i>N</i>,<i>N</i>'-Bis(3-carboxysalicylidene)-1,2-diphenyl-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-<i>O</i>)oxovanadium(IV) and [<i>N</i>,<i>N</i>'-bis(3-carboxysalicylidene)-2,3-dimethyl-2,3-butanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']oxovanadium(IV) monohydrate","Acta Crystallographica Section C","2000","56","5","e199","e200","10.1107/S0108270100005679","","","0.71073","MoKα","","","0.056","","","","0.167","","","","","","1.309","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010953","10.508","0.003","11.728","0.002","9.726","0.002","107.66","0.02","96.21","0.02","100.45","0.02","1106","0.5","298","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N2 O8 V -","- C22 H24 N2 O8 V -","- C44 H48 N4 O16 V2 -","2","1","QA0271","Uemura, Ryushi; Tsuchimoto, Masanobu; Ohba, Shigeru","[<i>N</i>,<i>N</i>'-Bis(3-carboxysalicylidene)-1,2-diphenyl-(<i>RR</i>,<i>SS</i>)-1,2-ethanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-<i>O</i>)oxovanadium(IV) and [<i>N</i>,<i>N</i>'-bis(3-carboxysalicylidene)-2,3-dimethyl-2,3-butanediyldiaminato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']oxovanadium(IV) monohydrate","Acta Crystallographica Section C","2000","56","5","e199","e200","10.1107/S0108270100005679","","","0.71073","MoKα","","","0.039","","","","0.116","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010954","12.083","0.003","14.234","0.004","12.05","0.002","93.19","0.02","109.53","0.01","111.55","0.02","1778.7","0.8","295","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Fe N8 O3 S2 -","- C38 H24 Fe N8 O3 S2 -","- C76 H48 Fe2 N16 O6 S4 -","2","1","QA0272","Hoshina, Gakuse; Ohba, Shigeru; Tsuchiya, Naoko; Isobe, Tetsuhiko; Senna, Mamoru","Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')iron(II) dithiocyanate trihydrate","Acta Crystallographica Section C","2000","56","5","e191","e192","10.1107/S0108270100005539","","","0.71073","MoKα","","","0.062","","","","0.201","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010955","7.453","0.005","14.911","0.005","11.458","0.005","90","","107.75","0.04","90","","1212.7","1.1","298","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H24 Cu2 N4 O8 -","- C22 H24 Cu2 N4 O8 -","- C44 H48 Cu4 N8 O16 -","2","0.5","QA0273","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru","Tetra-μ-acetato-<i>O</i>:<i>O</i>'-bis[(7-azaindole-<i>N</i>)copper(II)]","Acta Crystallographica Section C","2000","56","5","e193","e193","10.1107/S0108270100005540","","","0.71073","MoKα","","","0.041","","","","0.148","","","","","","0.93","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010956","11.99","0.004","12.988","0.004","11.296","0.005","106.52","0.03","94.31","0.03","90.79","0.03","1680.6","1.1","298","","","","","","","","","","","6","P -1","-P 1","2","","μ-acetato-O:O'-bis({2,2'[1,2-ethanediylbis(nitrilomethylidyne)]diphenolato}- manganese(III)) perchlorate","","- C34 H31 Cl Mn2 N4 O10 -","- C34 H31 Cl Mn2 N4 O10 -","- C68 H62 Cl2 Mn4 N8 O20 -","2","1","QA0274","Kani, Yoshiyuki; Ohba, Shigeru; Nishida, Yuzo","μ-Acetato-<i>O</i>:<i>O</i>'-bis{[bis(salicylidene)ethylenediaminato]manganese(III)} perchlorate","Acta Crystallographica Section C","2000","56","5","e194","e194","10.1107/S0108270100005552","","","0.71073","MoKα","","","0.039","","","","0.106","","","","","","1.37","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010957","13.799","0.002","14.488","0.002","12.608","0.002","99.33","0.01","111.86","0.01","113.14","0.01","2005.7","0.6","300","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H39 Cl4 Cu2 N6 O4.5 -","- C38 H39 Cl4 Cu2 N6 O4.5 -","- C76 H78 Cl8 Cu4 N12 O9 -","2","1","QA0276","Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo","μ-Chloro-bis{[benzylbis(2-pyridylmethyl)amine-κ^3^<i>N</i>]chlorocopper(II)} perchlorate hemihydrate","Acta Crystallographica Section C","2000","56","5","e195","e195","10.1107/S0108270100005564","","","0.71073","MoKα","","","0.04","","","","0.141","","","","","","1.02","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2010958","11.38","0.001","9.877","0.002","17.4","0.002","90","","104.79","0.01","90","","1891","0.5","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Cl2 Cu2 N6 O10 -","- C38 H36 Cl2 Cu2 N6 O10 -","- C76 H72 Cl4 Cu4 N12 O20 -","2","0.5","QA0277","Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo","Redetermination of bis{[(2-hydroxyphenylmethyl)bis(2-pyridylmethyl)aminato]copper(II)} diperchlorate","Acta Crystallographica Section C","2000","56","5","e201","e201","10.1107/S0108270100005680","","","0.71073","MoKα","","","0.063","","","","0.185","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010959","13.064","0.003","13.347","0.004","14.077","0.003","90","","101.52","0.02","90","","2405.1","1.1","296","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl Cu F6 N4 O P -","- C21 H22 Cl Cu F6 N4 O P -","- C84 H88 Cl4 Cu4 F24 N16 O4 P4 -","4","1","QA0278","Kani, Yoshiyuki; Ohba, Shigeru; Nishida, Yuzo","[<i>N</i>'-Benzoyl-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl-κ<i>N</i>)ethylenediamine-κ<i>N</i>]chlorocopper(II) hexafluorophosphate","Acta Crystallographica Section C","2000","56","5","e196","e196","10.1107/S0108270100005576","","","0.71073","MoKα","","","0.065","","","","0.196","","","","","","1.38","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010960","11.044","0.002","11.085","0.001","15.858","0.001","90","","95.1","0.009","90","","1933.7","0.4","299","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl2 Cu N4 O4 -","- C16 H22 Cl2 Cu N4 O4 -","- C64 H88 Cl8 Cu4 N16 O16 -","4","1","QA0279","Kani, Yoshiyuki; Ohba, Shigeru; Kunita, Mami; Nishida, Yuzo","[1,6-Bis(2-pyridylmethyl)-2,5-diazahexane-κ^4^<i>N</i>]chlorocopper(II) perchlorate","Acta Crystallographica Section C","2000","56","5","e197","e197","10.1107/S0108270100005588","","","0.71073","MoKα","","","0.049","","","","0.122","","","","","","1.51","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010961","12.513","0.002","14.613","0.002","12.569","0.002","90","","109.34","0.01","90","","2168.6","0.6","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 Cu N4 O4 -","- C18 H26 Cl2 Cu N4 O4 -","- C72 H104 Cl8 Cu4 N16 O16 -","4","1","QA0280","Kani, Yoshiyuki; Ohba, Shigeru; Kunita, Mami; Nishida, Yuzo","Chloro[<i>N</i>',<i>N</i>'-diethyl-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)ethylenediamine-κ^4^<i>N</i>]copper(II) perchlorate","Acta Crystallographica Section C","2000","56","5","e198","e198","10.1107/S010827010000559X","","","0.71073","MoKα","","","0.064","","","","0.161","","","","","","1.51","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010962","18.06","0.003","23.477","0.003","5.736","0.002","90","","90","","90","","2432","1","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O6 -","- C26 H34 O6 -","- C104 H136 O24 -","4","1","QA0281","Kani, Yoshiyuki; Ohba, Shigeru; Amano, Seiji; Ogawa, Noriko; Ohtsuka, Masami; Chida, Noritaka","(1<i>R</i>,2<i>R</i>,3<i>S</i>,4<i>S</i>)-2-[(2<i>R</i>,3<i>S</i>)-2,3-Dimethyloxiran-2-yl]-3,4-bis(4-methoxybenzyloxy)cyclohexanol","Acta Crystallographica Section C","2000","56","5","e222","e222","10.1107/S0108270100005606","","","0.71073","MoKα","","","0.073","","","","0.221","","","","","","1.92","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010963","14.381","0.002","14.381","0.002","12.265","0.002","90","","90","","90","","2536.6","0.6","296","","","","","","","","","","","4","P 43","P 4cw","78","","","","- C23 H29 N O11 -","- C23 H29 N O11 -","- C92 H116 N4 O44 -","4","1","QA0282","Kani, Yoshiyuki; Ohba, Shigeru; Oishi, Takeshi; Ando, Koji; Inomiya, Kenjin; Chida, Noritaka","(2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,6<i>S</i>)-6-Benzyloxymethyl-4-(methoxymethyloxy)-9-oxo-8-oxa-1-azabicyclo[4.3.0]nonane-2,3,5-triyl triacetate","Acta Crystallographica Section C","2000","56","5","e223","e223","10.1107/S0108270100005618","","","0.71073","MoKα","","","0.047","","","","0.116","","","","","","1.19","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2010964","8.0114","0.0004","9.8149","0.0007","10.2505","0.0008","107.919","0.002","106.039","0.004","91.831","0.004","731","0.09","291","1","291","1","","","","","","","","3","P -1","-P 1","2","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C32 H52 O4 -","2","1","QB0191","Hollmann, Christoph; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","(1<i>R</i>*,11<i>R</i>*)-Bicyclo[9.4.1]hexadecane-12,16-dione","Acta Crystallographica Section C","2000","56","5","e215","e215","10.1107/S010827010000528X","","","0.71073","MoKα","","0.089","0.04","","","","0.098","","","","","","0.922","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010965","10.675","0.002","11.083","0.002","15.195","0.003","90","","108.19","0.03","90","","1707.9","0.6","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(acetonylpyridine) pyridinium hexaiodo-bismuth(III)","","- C21 H26 Bi I6 N3 O2 -","- C22.18 H26 Bi I6 N2 O2 -","- C44.36 H52 Bi2 I12 N4 O4 -","2","0.5","QB0197","Peng, Ying; Lu, Shaofang; Wu, Daxu; Wu, Qiangjin; Huang, Jianquan","Bis(1-acetonylpyridinium) pyridinium hexaiodobismuth(III)","Acta Crystallographica Section C","2000","56","5","e183","e184","10.1107/S0108270100005230","","","0.71069","MoKα","","","0.036","","","","0.091","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010966","7.201","0.002","10.348","0.002","7.19","0.002","95.59","0.02","92.95","0.02","98.47","0.02","526.2","0.2","303","","303","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 Cl2 N O4 -","- C8 H9 Cl2 N O4 -","- C16 H18 Cl4 N2 O8 -","2","1","QB0198","Ishida, Hiroyuki; Kashino, Setsuo","Ethylammonium and diethylammonium salts of chloranilic acid","Acta Crystallographica Section C","2000","56","5","e202","e204","10.1107/S0108270100004480","","","0.71073","MoKα","","0.058","0.042","","0.058","","0.05","","","1.29","","","1.29","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010967","9.159","0.003","9.617","0.002","8.979","0.003","108.17","0.02","111.27","0.03","103.78","0.02","642.8","0.4","302","","302","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Cl2 N O4 -","- C10 H13 Cl2 N O4 -","- C20 H26 Cl4 N2 O8 -","2","1","QB0198","Ishida, Hiroyuki; Kashino, Setsuo","Ethylammonium and diethylammonium salts of chloranilic acid","Acta Crystallographica Section C","2000","56","5","e202","e204","10.1107/S0108270100004480","","","0.71073","MoKα","","0.062","0.053","","0.099","","0.091","","","1.64","","","1.64","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010968","7.827","0.0004","12.7936","0.0008","17.3523","0.0012","90","","90","","90","","1737.58","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2(S)-amino-3-(1H-imidazol-4(5)-yl)propyl cyclohexylmethyl ether dihydrochloride","","- C13 H25 Cl2 N3 O -","- C13 H25 Cl2 N3 O -","- C52 H100 Cl8 N12 O4 -","4","1","QB0202","Kovalainen, Jari T.; Wegelius, Elina; Christiaans, Johannes A. M.; Huuskonen, Juhani; Gynther, Jukka","2(<i>S</i>)-Amino-3-[1<i>H</i>-imidazol-4(5)-yl]propyl cyclohexylmethyl ether dihydrochloride and 2(<i>S</i>)-amino-3-[1<i>H</i>-imidazol-4(5)-yl]propyl 4-bromobenzyl ether dihydrochloride","Acta Crystallographica Section C","2000","56","5","e216","e217","10.1107/S0108270100005291","","","0.71073","MoKα","","0.094","0.046","","","","0.084","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010969","7.553","0.0002","12.9964","0.0006","17.78","0.0009","90","","90","","90","","1745.32","0.13","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2(S)-amino-3-(1H-imidazol-4(5)-yl)propyl 4-bromobenzyl ether dihydrochloride","","- C13 H18 Br Cl2 N3 O -","- C13 H18 Br Cl2 N3 O -","- C52 H72 Br4 Cl8 N12 O4 -","4","1","QB0202","Kovalainen, Jari T.; Wegelius, Elina; Christiaans, Johannes A. M.; Huuskonen, Juhani; Gynther, Jukka","2(<i>S</i>)-Amino-3-[1<i>H</i>-imidazol-4(5)-yl]propyl cyclohexylmethyl ether dihydrochloride and 2(<i>S</i>)-amino-3-[1<i>H</i>-imidazol-4(5)-yl]propyl 4-bromobenzyl ether dihydrochloride","Acta Crystallographica Section C","2000","56","5","e216","e217","10.1107/S0108270100005291","","","0.71073","MoKα","","0.088","0.047","","","","0.09","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010970","7.6548","0.0015","10.436","0.002","17.543","0.004","90","","91.34","0.03","90","","1401","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N2-(4-Methoxyphenyl)-3-(2-pyrrolidinyliden)-1-chloro-1,1- -difluoro-2-propan imine","","- C14 H15 Cl F2 N2 O -","- C14 H15 Cl F2 N2 O -","- C56 H60 Cl4 F8 N8 O4 -","4","1","QB0204","Fustero, Santos; García de la Torre, Marta; Ramírez de Arellano, M. Carmen","1-Chloro-1,1-difluoro-<i>N</i>-(4-methoxyphenyl)-3-(pyrrolidin-2-ylidene)propan-2-imine","Acta Crystallographica Section C","2000","56","5","e213","e214","10.1107/S0108270100005217","","","0.71073","MoKα","","0.094","0.07","","","","0.208","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010971","10.3829","0.0007","14.0871","0.0012","14.9994","0.0014","90","","102.931","0.009","90","","2138.3","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Cr H48 I Mo6 Na2 O48 -","- Cr I Mo6 Na2 O48 -","- Cr2 I2 Mo12 Na4 O96 -","2","0.5","QB0206","Rosu, Cristina; Weakley, Timothy J. R.","Disodium chromium(III) hexamolybdoiodate(VII) 24-hydrate, Na~2~Cr[IMo~6~O~24~]·24H~2~O","Acta Crystallographica Section C","2000","56","5","e170","e171","10.1107/S0108270100005229","","","0.71073","MoKα","","0.046","0.034","","0.095","","0.05","","","1.86","","","1.86","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010972","9.825","0.002","10.904","0.002","16.051","0.003","90","","101.44","0.03","90","","1685.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 Cu2 N4 Se8 -","- C20 H40 Cu2 N4 Se8 -","- C40 H80 Cu4 N8 Se16 -","2","0.5","QB0207","Bao, Mutai; Weng, Jiabao; Su, Weiping; Cao, Rong; Hong, Maochun","Bis[bis(<i>N</i>,<i>N</i>-diethyl-1,1-diselenocarbamato)copper(II)], [Cu(Se~2~CNEt~2~)~2~]~2~","Acta Crystallographica Section C","2000","56","5","e185","e186","10.1107/S0108270100005503","","","0.71073","MoKα","","0.041","0.032","","","","0.086","","","","","","1.082","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2010973","6.719","0.001","10.029","0.002","25.615","0.005","90","","90.65","0.03","90","","1726","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(N,N-diethyl-1,1-diselenocarbamate)selenium","","- C10 H20 N2 Se5 -","- C10 H20 N2 Se5 -","- C40 H80 N8 Se20 -","4","1","QB0208","Bao, Mutai; Hong, Maochun; Su, Weiping; Cao, Rong","Bis(<i>N</i>,<i>N</i>-diethyl-1,1-diselenocarbamato-<i>Se</i>)selenium, [(Se~2~CNEt~2~)~2~Se]","Acta Crystallographica Section C","2000","56","5","e219","e220","10.1107/S0108270100005497","","","0.71073","MoKα","","0.067","0.048","","","","0.113","","","","","","0.996","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2010974","21.093","0.002","4.6905","0.0003","9.2544","0.0009","90","","101.323","0.003","90","","897.78","0.14","150","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","Zinc octanoate","poly[zinc(II)-bis(μ-octanoato-O:O')]","","- C16 H30 O4 Zn -","- C16 H30 O4 Zn -","- C32 H60 O8 Zn2 -","2","1","SK1351","Lacouture, Françoise; Peultier, Jerôme; Francois, Michel; Steinmetz, Jean","Anhydrous polymeric zinc(II) octanoate","Acta Crystallographica Section C","2000","56","5","556","557","10.1107/S0108270100001876","","","0.71073","MoKα","","0.088","0.058","","","","0.167","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010975","11.831","0.002","14.927","0.003","12.929","0.003","90","","98.63","0.03","90","","2257.4","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 I2 N4 Si -","- C20 H16 Cl2 I2 N4 Si -","- C80 H64 Cl8 I8 N16 Si4 -","4","1","SK1363","Hensen, Karl; Mayr-Stein, Ralf; Rühl, Stephan; Bolte, Michael","<i>cis</i>-Bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')dichlorosilicon diiodide","Acta Crystallographica Section C","2000","56","5","607","609","10.1107/S0108270100001888","","","0.71073","MoKα","","0.0441","0.0289","","","","0.0597","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010976","15.125","0.0004","5.6702","0.0001","22.8781","0.0005","90","","95.3753","0.0013","90","","1953.44","0.08","291","2","291","2","","","","","","","","3","C 1 2 1","C 2y","5","asperuloside monohydrate","[2aS-(2aα,4aα,5α,7bα)]-5-(β-D-glucopyranosyloxy)-1-oxo-2a,4a,5,7b- tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-ylmethyl acetate monohydrate","","- C18 H24 O12 -","- C18 H24 O12 -","- C72 H96 O48 -","4","1","SK1376","Linden, Anthony; Çalis, Ihsan; Neuburger, Markus; Sticher, Otto","Asperuloside monohydrate","Acta Crystallographica Section C","2000","56","5","616","618","10.1107/S0108270100003292","","","0.71073","MoKα","","0.061","0.041","","","","0.101","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010977","13.378","0.002","13.378","0.002","18.803","0.006","90","","90","","90","","3365.2","1.3","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","1","SX1081","Do Valle, N. T.; De Simone, C. A.; Pereira, M. A.; Goulart, M. O. F.","[1a(1aα,5β,9aα)]-1,1a,4,5,7,8,9,9a-Octahydro-3-hydroxy-1,1,2,5-tetramethyl-7-methylene-6<i>H</i>-cyclopropa[3,4]cyclohept[1,2-<i>e</i>]inden-6-one","Acta Crystallographica Section C","2000","56","5","566","567","10.1107/S0108270199016108","","","0.71073","MoKα","","0.0711","0.0573","","","","0.1249","","","","","","1.157","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010978","9.502","0.001","10.286","0.001","11.289","0.001","87.76","0.01","77.48","0.01","69.85","0.01","1010.43","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H24 Mn2 O19 -","- C10 H24 Mn2 O19 -","- C20 H48 Mn4 O38 -","2","1","TA1268","Deping Cheng; Yueqing Zheng; Jianli Lin; Duanjun Xu; Yuanzhi Xu","A binuclear manganese(II) complex, decaaqua(μ-1,2,4,5-benzenetetracarboxylato-<i>O</i>^1^:<i>O</i>^4^)dimanganese(II) hydrate","Acta Crystallographica Section C","2000","56","5","523","524","10.1107/S0108270100000342","","","0.71073","MoKα","","0.0344","0.0298","","0.0864","0.0829","","","","1.029","1.06","1.06","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010979","15.169","0.01","25.197","0.008","11.638","0.006","90","","90","","90","","4448","4","296.2","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","trans-(4-Amino-2,2,6,6-tetramethylpiperidine-N^4^)bis(pentane-2,4-dionato-O,O') (triphenylphosphine-P)cobalt(III) hexafluorophosphate dichloromethane solvate","","- C38 H51 Cl2 Co F6 N2 O4 P2 -","- C38 H51 Cl2 Co F6 N2 O4 P2 -","- C152 H204 Cl8 Co4 F24 N8 O16 P8 -","4","1","TA1277","Suzuki, Takayoshi; Ogita, Masahiro; Kaizaki, Sumio","<i>trans</i>-(4-Amino-2,2,6,6-tetramethylpiperidine-<i>N</i>^4^)bis(pentane-2,4-dionato-<i>O</i>,<i>O</i>')(triphenylphosphine-<i>P</i>)cobalt(III) hexafluorophosphate dichloromethane solvate","Acta Crystallographica Section C","2000","56","5","532","533","10.1107/S010827010000113X","","","0.7107","MoKα","","","0.051","","","","0.193","","","","","","0.969","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010980","12.2683","0.001","15.0622","0.0017","18.2824","0.0017","81.818","0.009","71.05","0.007","85.001","0.009","3159.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","dipotassium di-μ-oxo-bis[aqua(oxalato-O^1^,O^2^)oxomolybdenum(III)] trihydrate","","- C4 H10 K2 Mo2 O17 -","- C4 H10 K2 Mo2 O17 -","- C32 H80 K16 Mo16 O136 -","8","4","AV1030","Strukan, Neven; Cindrić, Marina; Kamenar, Boris","K~2~[Mo~2~O~4~(C~2~O~4~)~2~(H~2~O)~2~]·3H~2~O","Acta Crystallographica Section C","2000","56","6","639","641","10.1107/S0108270100002547","","","0.71069","MoKα","","0.165","0.049","","0.142","","0.106","","","0.934","","","0.934","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010981","13.58","0.005","9.488","0.002","20.266","0.007","90","","99.73","0.03","90","","2573.7","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-nitrosomelatonin","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C104 H120 N24 O24 -","8","1","BK1515","Turjanski, Adrián; Chaia, Zulema Débora; Doctorovich, Fabio; Estrin, Dario; Rosenstein, Ruth; Piro, Oscar E.","<i>N</i>-Nitrosomelatonin","Acta Crystallographica Section C","2000","56","6","682","683","10.1107/S010827010000456X","","","0.71073","MoKα","","0.082","0.042","","0.151","","0.109","","","1.08","","","1.01","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010982","6.6363","0.0013","8.1836","0.0016","10.468","0.002","70.68","0.03","88.01","0.03","80.77","0.03","529.4","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2-(1,3-dithian-2-yl)benzaldehyde","","- C11 H12 O S2 -","- C11 H12 O S2 -","- C22 H24 O2 S4 -","2","1","BK1516","Jene, Paul G.; Ibers, James A.","2-(1,3-Dithian-2-yl)benzaldehyde and <i>N</i>-{2-[2-(1,3-dioxan-2-yl)phenoxy]ethyl}phthalimide","Acta Crystallographica Section C","2000","56","6","705","707","10.1107/S010827010000353X","","","0.71073","MoKα","","0.041","0.039","","","","0.112","","","","","","2.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010983","6.02","0.0004","15.0289","0.0011","18.966","0.0013","90","","94.841","0.001","90","","1709.8","0.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-{2-[2-(1,3-dioxan-2-yl)phenoxy]ethyl}phthalimide","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C80 H76 N4 O20 -","4","1","BK1516","Jene, Paul G.; Ibers, James A.","2-(1,3-Dithian-2-yl)benzaldehyde and <i>N</i>-{2-[2-(1,3-dioxan-2-yl)phenoxy]ethyl}phthalimide","Acta Crystallographica Section C","2000","56","6","705","707","10.1107/S010827010000353X","","","0.71073","MoKα","","0.096","0.05","","","","0.096","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010984","10.97","0.002","8.986","0.002","20.881","0.004","90","","103.66","0.03","90","","2000.2","0.7","150","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 N4 S -","- C11 H8 N4 S -","- C88 H64 N32 S8 -","8","1","BM1405","Coles, Simon J.; Douheret, David; Hursthouse, Michael B.; Kilburn, Jeremy D.","2-(2-Pyridylimino)-2<i>H</i>-1,2,4-thiadiazolo[2,3-<i>a</i>]pyridine","Acta Crystallographica Section C","2000","56","6","687","688","10.1107/S0108270100003152","","","0.71073","MoKα","","","0.0274","","","","0.0645","","","","","","1.162","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010985","6.297","0.004","4.951","0.003","12.751","0.006","90","","91.65","0.06","90","","397.4","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Lithium Rubidium Gallium Borate","","","- B3 Ga2 Li2 O9 Rb -","- B3 Ga2 Li2 O9 Rb -","- B6 Ga4 Li4 O18 Rb2 -","2","0.5","BR1279","Judith L. Kissick; Douglas A. Keszler","RbLi~2~Ga~2~(BO~3~)~3~","Acta Crystallographica Section C","2000","56","6","631","632","10.1107/S0108270100004078","","","0.71069","MoKα","","0.0414","0.026","","","","0.0724","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010986","16.05","0.003","3.9375","0.0008","7.0309","0.0014","90","","90","","90","","444.33","0.15","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd2 O Se2 -","- Gd2 O Se2 -","- Gd8 O4 Se8 -","4","0.5","BR1282","Tougait, Olivier; Ibers, James A.","Gd~2~OSe~2~","Acta Crystallographica Section C","2000","56","6","623","624","10.1107/S0108270100003024","","","0.71073","MoKα","","0.0256","0.0235","","","","0.0588","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010987","7.0725","0.0005","8.4187","0.0007","14.2273","0.0011","90","","90","","90","","847.11","0.11","300","","300","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- La2 O9 Se3 -","- La2 O9 Se3 -","- La8 O36 Se12 -","4","0.5","BR1284","Harrison, William T. A.","Lanthanum selenite, La~2~(SeO~3~)~3~","Acta Crystallographica Section C","2000","56","6","627","628","10.1107/S0108270100003164","","","0.71073","MoKα","","","0.026","","","","0.029","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010988","7.7247","0.0006","10.2237","0.0007","8.3429","0.0006","90","","104.788","0.001","90","","637.06","0.08","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cesium titanium pyrophosphate","","- Cs O7 P2 Ti -","- Cs O7 P2 Ti -","- Cs4 O28 P8 Ti4 -","4","1","BR1285","Huang, Fu Qiang; Ibers, James A.","CsTiP~2~O~7~","Acta Crystallographica Section C","2000","56","6","625","626","10.1107/S0108270100003036","","","0.71073","MoKα","","0.0235","0.0234","","","","0.0682","","","","","","1.417","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2010989","13.9497","0.0013","14.7055","0.0015","14.049","0.002","90","","109.43","0.008","90","","2717.8","0.6","163","","163","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(η^6^-hexamethylbenzene)bis(trifluoromethanesulfonato-O) (2,4,6-trimethylaniline-N)ruthenium(II)","","- C23 H31 F6 N O6 Ru S2 -","- C23 H31 F6 N O6 Ru S2 -","- C92 H124 F24 N4 O24 Ru4 S8 -","4","1","DA1103","Feher, Frank J.; Baldwin, Richard K.; Ziller, Joseph W.","(η^6^-Hexamethylbenzene)(mesidine)ditriflatoruthenium(II)","Acta Crystallographica Section C","2000","56","6","633","634","10.1107/S0108270100001001","","","0.71073","MoKα","","0.045","0.03","","","","0.07","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010990","5.1886","0.0006","7.8583","0.001","8.6621","0.001","90","","104.977","0.008","90","","341.19","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Polymeric bis(glycolato)cobalt(II)","","- C4 H6 Co O6 -","- C4 H6 Co O6 -","- C8 H12 Co2 O12 -","2","0.5","DA1106","Medina, Gerardo; Gasque, Laura; Bernès, Sylvain","Polymeric bis(glycolato)cobalt(II)","Acta Crystallographica Section C","2000","56","6","637","638","10.1107/S010827010000161X","","","0.71073","MoKα","","0.024","0.02","","","","0.053","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010991","8.3856","0.0004","9.727","0.0004","11.186","0.0005","69.274","0.003","68.037","0.003","70.933","0.003","771.31","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Ethyl E-2-Cyano-3-(8-dimethylaminonaphth-1-yl)propenoate","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","FG1575","Paul C. Bell; Marie Drameh; Nicola Hanley; John D. Wallis","Interaction between a dimethylamino group and an electron-deficient alkene in ethyl (<i>E</i>)-2-cyano-3-(8-dimethylamino-1-naphthyl)propenoate","Acta Crystallographica Section C","2000","56","6","670","671","10.1107/S0108270100000512","","","0.71069","MoKa","","0.068","0.053","","0.1575","0.1435","","","","1.064","1.115","1.115","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010992","13.0339","0.0017","7.375","0.001","7.4672","0.001","90","","91.923","0.002","90","","717.38","0.17","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","dipotassium dichromate","dipotassium dichromate","","- Cr2 K2 O7 -","- Cr2 K2 O7 -","- Cr8 K8 O28 -","4","0.5","FG1580","Krivovichev, Sergey V.; Kir'yanova, Elena V.; Filatov, Stanislav K.; Burns, Peter C.","β-K~2~Cr~2~O~7~","Acta Crystallographica Section C","2000","56","6","629","630","10.1107/S0108270100003917","","","0.71073","MoKα","","0.032","0.029","","","","0.084","","","","","","1.107","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2010993","6.7397","0.0002","7.7777","0.0003","8.5184","0.0003","78.5397","0.0014","85.6376","0.0019","71.8947","0.0018","415.91","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","pyrrolidin-2,2-diylbis(phosphonic acid)","","- C4 H11 N O6 P2 -","- C4 H11 N O6 P2 -","- C8 H22 N2 O12 P4 -","2","1","FG1586","Olive, Gilles; Ellis, Dianne D.; Siri, Didier; Le Moigne, François; Lutz, Martin; Spek, Anthony L.; Tordo, Paul; Reboul, Jean-Pierre","Zwitterionic pyrrolidine-2,2-diylbis(phosphonic acid) at 100, 150 and 293K","Acta Crystallographica Section C","2000","56","6","720","722","10.1107/S0108270100003929","","","0.71073","MoKα","","0.026","0.024","","","","0.064","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010994","6.7451","0.0002","7.7855","0.0003","8.5197","0.0003","78.5651","0.0014","85.6151","0.0019","71.8678","0.0019","416.69","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","pyrrolidin-2,2-diylbis(phosphonic acid)","","- C4 H11 N O6 P2 -","- C4 H11 N O6 P2 -","- C8 H22 N2 O12 P4 -","2","1","FG1586","Olive, Gilles; Ellis, Dianne D.; Siri, Didier; Le Moigne, François; Lutz, Martin; Spek, Anthony L.; Tordo, Paul; Reboul, Jean-Pierre","Zwitterionic pyrrolidine-2,2-diylbis(phosphonic acid) at 100, 150 and 293K","Acta Crystallographica Section C","2000","56","6","720","722","10.1107/S0108270100003929","","","0.71073","MoKα","","0.026","0.024","","","","0.064","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010995","6.7703","0.0002","7.8135","0.0002","8.5263","0.0002","78.7105","0.0012","85.553","0.0016","71.7958","0.0014","420.11","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","pyrrolidin-2,2-diylbis(phosphonic acid)","","- C4 H11 N O6 P2 -","- C4 H11 N O6 P2 -","- C8 H22 N2 O12 P4 -","2","1","FG1586","Olive, Gilles; Ellis, Dianne D.; Siri, Didier; Le Moigne, François; Lutz, Martin; Spek, Anthony L.; Tordo, Paul; Reboul, Jean-Pierre","Zwitterionic pyrrolidine-2,2-diylbis(phosphonic acid) at 100, 150 and 293K","Acta Crystallographica Section C","2000","56","6","720","722","10.1107/S0108270100003929","","","0.71073","MoKα","","0.026","0.024","","","","0.065","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010996","8.7242","0.0003","8.7242","0.0003","37.102","0.003","90","","90","","120","","2445.6","0.2","295","2","295","2","","","","","","","","6","P 65","P 65","170","","diaqua(1,7-dioxa-4-thia-10-azacyclododecane)nickel(II) nitrate","","- C8 H21 N3 Ni O10 S -","- C8 H21 N3 Ni O10 S -","- C48 H126 N18 Ni6 O60 S6 -","6","1","FG1589","Marcus, Sebastian T.; Gahan, Lawrence R.; Bernhardt, Paul V.","The Ni^II^, Hg^II^ and Cu^II^ complexes of 12-membered-ring mixed-donor macrocycles","Acta Crystallographica Section C","2000","56","6","655","658","10.1107/S0108270100003942","","","0.71073","MoKα","","0.0504","0.0321","","","","0.0777","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010997","8.245","0.003","11.927","0.002","14.272","0.005","90","","96.6","0.02","90","","1394.2","0.7","275","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(nitrato)(1,4,7-trioxa-10-azacyclododecane)mercury(II)","","- C8 H17 Hg N3 O9 -","- C8 H17 Hg N3 O9 -","- C32 H68 Hg4 N12 O36 -","4","1","FG1589","Marcus, Sebastian T.; Gahan, Lawrence R.; Bernhardt, Paul V.","The Ni^II^, Hg^II^ and Cu^II^ complexes of 12-membered-ring mixed-donor macrocycles","Acta Crystallographica Section C","2000","56","6","655","658","10.1107/S0108270100003942","","","0.71073","MoKα","","0.0416","0.0329","","","","0.0873","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010998","8.6167","0.0009","9.3975","0.0008","10.118","0.001","95.627","0.008","112.107","0.009","99.509","0.009","737.05","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","aqua(1,7-dioxa-4-thia-10-azacyclododecane)nitratocopper(II) nitrate","","- C8 H21 Cu N5 O8 -","- C8 H21 Cu N5 O8 -","- C16 H42 Cu2 N10 O16 -","2","1","FG1589","Marcus, Sebastian T.; Gahan, Lawrence R.; Bernhardt, Paul V.","The Ni^II^, Hg^II^ and Cu^II^ complexes of 12-membered-ring mixed-donor macrocycles","Acta Crystallographica Section C","2000","56","6","655","658","10.1107/S0108270100003942","","","0.71073","MoKα","","0.0275","0.0243","","","","0.0677","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010999","12.1506","0.0007","15.404","0.0009","15.5477","0.0009","90","","109.199","0.001","90","","2748.2","0.3","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 B F15 Zr -","- C30 H16 B F15 Zr -","- C120 H64 B4 F60 Zr4 -","4","1","FR1249","Guzei, Ilia A.; Stockland Jr, Robert A.; Jordan, Richard F.","The bis(η^5^-cyclopentadienyl)methylzirconium(IV) methyltris(pentafluorophenyl)borate ion pair","Acta Crystallographica Section C","2000","56","6","635","636","10.1107/S0108270100001293","","","0.71073","MoKα","","0.0396","0.027","","","","0.068","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011000","16.942","0.001","5.932","0.002","17.265","0.001","90","","108.122","0.005","90","","1649.1","0.6","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","FR1261","Gerkin, Roger E.","(<i>E</i>)-2-Methyl-5-(1-naphthylmethyl)cinnamic acid","Acta Crystallographica Section C","2000","56","6","674","676","10.1107/S0108270100002778","","","0.71073","MoKα","","","0.057","","","","0.073","","","","","","1.36","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011001","11.4104","0.0002","7.4078","0.0001","16.9198","0.0003","90","","107.473","0.001","90","","1364.17","0.04","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,2'-dimethoxybiphenyl-5,5'-dimethanol","2,2'-dimethoxybiphenyl-5,5'-dimethanol","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","FR1262","Gerkin, Roger E.","Hydrogen bonds and C—H···O interactions in 2,2'-dimethoxybiphenyl-5,5'-dimethanol at 150K","Acta Crystallographica Section C","2000","56","6","677","678","10.1107/S0108270100002900","","","0.71073","MoKα","","","0.046","","","","0.099","","","","","","1.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011002","7.187","0.001","11.261","0.002","12.812","0.003","90","","90","","90","","1036.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","GD1082","Ejsmont, Krzysztof; Domański, Andrzej; Kyzioł, Janusz; Zaleski, Jacek","4-Hydroxy-<i>ONN</i>-azoxybenzene","Acta Crystallographica Section C","2000","56","6","697","699","10.1107/S0108270100003449","","","0.71073","MoKα","","0.1092","0.0337","","","","0.096","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011003","10.276","0.002","4.677","0.001","11.296","0.002","90","","92.22","0.02","90","","542.49","0.18","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis-(2,4-pentanedionato)cobalt(II)","","- C10 H14 Co O4 -","- C10 H14 Co O4 -","- C20 H28 Co2 O8 -","2","0.5","GD1084","John Burgess; John Fawcett; David R. Russell; Syeda R. Gilani","Monomeric bis(2,4-pentanedionato)cobalt(II)","Acta Crystallographica Section C","2000","56","6","649","650","10.1107/S0108270100003176","","","0.71073","MoKα","","0.0626","0.0515","","","","0.1397","","","","","","1.104","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011004","16.2046","0.0016","7.2974","0.0005","13.509","0.0014","90","","90","","90","","1597.5","0.3","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C7 H8 Hg Mn N4 O2 S4 -","- C7 H8 Hg Mn N4 O2 S4 -","- C28 H32 Hg4 Mn4 N16 O8 S16 -","4","1","GD1089","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Lu, Meng-Kai; Yuan, Duo-Rong; Lu, Guang-Tian","Manganese mercury thiocyanate (MMTC) glycol monomethyl ether","Acta Crystallographica Section C","2000","56","6","647","648","10.1107/S0108270100003188","","","0.71073","MoKα","","0.0518","0.0395","","","","0.1005","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011005","10.789","0.003","8.918","0.002","25.847","0.004","90","","91.79","0.02","90","","2485.7","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(12-hydroxymethyl-5,5,7,12,14-pentamethyl-1,4,8,11- tetraazacyclotetradecane-N-acetato-N,N',N'',N''',O,O')cobalt(III) Chloride Perchlorate Monohydrate","","- C18 H39 Cl2 Co N4 O8 -","- C18 H39 Cl2 Co N4 O8 -","- C72 H156 Cl8 Co4 N16 O32 -","4","1","GD1092","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun","(12-Hydroxymethyl-5,5,7,12,14-pentamethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>-acetato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>,<i>O</i>')cobalt(III) chloride perchlorate monohydrate","Acta Crystallographica Section C","2000","56","6","659","660","10.1107/S010827010000398X","","","0.71073","MoKα","","0.0881","0.0462","","","","0.1087","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011006","11.788","0.002","6.6204","0.0016","25.057","0.003","90","","90","","90","","1955.5","0.6","293.2","","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H21 N3 O4 S -","- C21 H21 N3 O4 S -","- C84 H84 N12 O16 S4 -","4","1","GD1093","Zhao, Yuekun; Helliwell, Madeleine; Joule, John A.","The conversion of a pyrrole trimer derivative into a 4,5,6,7-tetrahydro-4-(pyrrol-2-yl)indol-7-yltosylaminoindole","Acta Crystallographica Section C","2000","56","6","714","715","10.1107/S0108270100003541","","","1.5418","CuKα","","0.0452","0.038","","","","0.1071","","","","","","1.066","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011007","8.592","0.01","8.845","0.01","11.192","0.01","109.64","0.05","90.56","0.05","103.92","0.05","773.7","1.5","100","5","100","5","","","","","","","","5","P 1","P 1","1","NAD+","β-Nicotinamide Adenine Dinucleotide","","- C21 H35 N7 O18 P2 -","- C21 H35 N7 O18 P2 -","- C21 H35 N7 O18 P2 -","1","1","GS1072","Guillot, Benoit; Jelsch, Christian; Lecomte, Claude","The oxidized form of nicotinamide adenine dinucleotide","Acta Crystallographica Section C","2000","56","6","726","728","10.1107/S0108270100001220","","","0.709","MoKα","","0.019","0.019","","","","0.052","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011008","12.216","0.004","12.463","0.005","16.781","0.007","90","","90","","90","","2554.9","1.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Haperforine B1","methyl 4-(3,6-dihydro-2,2-dimethyl-6-oxo-2H-pyran-3-ylideneacetyl)-8- furanoyl-5-(1-hydroxyethyl)-4,8-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate","","- C27 H32 O9 -","- C27 H32 O9 -","- C108 H128 O36 -","4","1","GS1076","Chiaroni, Angèle; Riche, Claude; Khuong-Huu, Qui; Nguyen-Ngoc, Hanh; Nguyen-Viet, Kinh; Khuong-Huu, Françoise","New limonoids from <i>Harrisonia perforata</i> (Blanco) Merr.","Acta Crystallographica Section C","2000","56","6","711","713","10.1107/S0108270100003565","","","1.5418","CuKα","","0.0516","0.0485","","0.1309","","0.1278","","","1.075","","","1.087","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011009","10.148","0.005","11.225","0.007","11.356","0.008","90","","99.44","0.02","90","","1276.1","1.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Haperforin D","methyl 6'-furanoyl-3-hydroxy-4,4,3',6',7a'-pentamethylperhydro-4H-furo[2,1-c]- pyran-2-spiro-1'-perhydroisobenzofuran-7'-spiro-2''-oxirane-3''-carboxylate","","- C27 H34 O10 -","- C27 H34 O10 -","- C54 H68 O20 -","2","1","GS1076","Chiaroni, Angèle; Riche, Claude; Khuong-Huu, Qui; Nguyen-Ngoc, Hanh; Nguyen-Viet, Kinh; Khuong-Huu, Françoise","New limonoids from <i>Harrisonia perforata</i> (Blanco) Merr.","Acta Crystallographica Section C","2000","56","6","711","713","10.1107/S0108270100003565","","","1.5418","CuKα","","0.0703","0.0656","","0.1692","","0.1554","","","1.087","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011010","10.947","0.005","12.185","0.005","8.883","0.005","103.808","0.005","113.331","0.005","76.135","0.005","1042.5","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C40 H48 N4 O8 S4 -","2","1","JA1020","Kubo, Kanji; Kato, Nobuo; Mori, Akira; Takeshita, Hitoshi","20-Dicyanomethylene-5,8,11,14-tetraoxa-2,17-dithiabicyclo[16.4.1]tricosa-1(23),18,21-triene and its mercury(II) dichloride complex","Acta Crystallographica Section C","2000","56","6","644","646","10.1107/S010827010000305X","","","1.54184","CuKα","","0.0394","0.0358","","","","0.1037","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011011","15.387","0.005","22.349","0.005","14.579","0.005","90","","95.337","0.005","90","","4992","3","296","2","296","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H24 Cl2 Hg N2 O4 S2 -","- C20 H24 Cl2 Hg N2 O4 S2 -","- C160 H192 Cl16 Hg8 N16 O32 S16 -","8","2","JA1020","Kubo, Kanji; Kato, Nobuo; Mori, Akira; Takeshita, Hitoshi","20-Dicyanomethylene-5,8,11,14-tetraoxa-2,17-dithiabicyclo[16.4.1]tricosa-1(23),18,21-triene and its mercury(II) dichloride complex","Acta Crystallographica Section C","2000","56","6","644","646","10.1107/S010827010000305X","","","1.54184","CuKα","","0.1434","0.052","","","","0.137","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011012","16.8803","0.0005","16.1855","0.0004","19.3262","0.0006","90","","90","","90","","5280.2","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,13-(1',10'-Decandioxy)hexahelicen","","- C36 H34 O2 -","- C36 H34 O2 -","- C288 H272 O16 -","8","1","JZ1383","Meier, Herbert; Schwertel, Manfred; Schollmeyer, Dieter","Two strained hexahelicenophanes","Acta Crystallographica Section C","2000","56","6","684","686","10.1107/S0108270100003140","","","1.54178","CuKα","","0.0709","0.0571","","0.1664","","0.1557","","","","","","1.047","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011013","18.1447","0.0004","12.3799","0.0003","10.8228","0.0003","90","","90","","90","","2431.12","0.1","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4,13-(1,8 octandioxy)-hexahelicen","","- C34 H30 O2 -","- C34 H30 O2 -","- C136 H120 O8 -","4","1","JZ1383","Meier, Herbert; Schwertel, Manfred; Schollmeyer, Dieter","Two strained hexahelicenophanes","Acta Crystallographica Section C","2000","56","6","684","686","10.1107/S0108270100003140","","","1.54178","CuKα","","0.0398","0.0391","","0.1122","","0.1112","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011014","11.641","0.002","11.955","0.002","3.678","0.001","90","","90","","90","","511.86","0.19","150","","150","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","4,4'-bipyridinedichloromanganese(II)","","- C10 H8 Cl2 Mn N2 -","- C10 H8 Cl2 Mn N2 -","- C20 H16 Cl4 Mn2 N4 -","2","0.25","JZ1389","Chippindale, Ann M.; Cowley, Andrew R.; Peacock, Katherine J.","(4,4'-Bipyridine)dichloromanganese(II), a two-dimensional coordination polymer","Acta Crystallographica Section C","2000","56","6","651","652","10.1107/S0108270100003474","","","0.71069","MoKα","","","0.033","","","0.038","","","","","1.0537","1.0537","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2011015","9.324","0.002","25.149","0.003","11.753","0.002","90","","108","0.05","90","","2621.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","oxazol-5(4H)-one from Z-(Aib)~4~-OH","benzyl N-[8-(4,4-dimethyl-5-oxooxazol-2-yl)-2,5,5,8-tetramethyl-3,6-dioxo-4,7- diazanon-2-yl]carbamate","","- C24 H34 N4 O6 -","- C24 H34 N4 O6 -","- C96 H136 N16 O24 -","4","1","LN1097","Crisma, Marco; Formaggio, Fernando; Toniolo, Claudio","An oxazol-5(4<i>H</i>)-one from benzyloxycarbonyl-(Aib)~4~-OH","Acta Crystallographica Section C","2000","56","6","695","696","10.1107/S0108270100003413","","","0.71073","MoKα","","0.071","0.043","","","","0.132","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011016","10.1318","0.0002","13.2019","0.0002","14.9565","0.0005","77.207","0.001","80.992","0.002","76.834","0.002","1887.72","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Piperidine-1-carbodithioato-S,S')bis(triphenylphosphine-P)gold(I)","","- C42 H40 Au N P2 S2 -","- C42 H40 Au N P2 S2 -","- C84 H80 Au2 N2 P4 S4 -","2","1","LN1100","Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Jian, Fangfang; Bei, Fengli; Yang, Xujie; Lu, Lude; Wang, Xin","(Piperidine-1-carbodithioato-<i>S</i>,<i>S</i>')bis(triphenylphosphine-<i>P</i>)gold(I)","Acta Crystallographica Section C","2000","56","6","666","667","10.1107/S0108270100003760","","","0.71073","MoKα","","0.09","0.054","","","","0.124","","","","","","0.89","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011017","12.5502","0.0007","9.5832","0.0005","15.395","0.0008","90","","95.734","0.001","90","","1842.31","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Co(en)~3~](C~2~O~4~)(ClO~4~)(H~2~O)~2~","Tris(ethylenediamine) cobalt (III) oxalato perchlorate dihydrate","","- C8 H28 Cl Co N6 O10 -","- C8 H28 Cl Co N6 O10 -","- C32 H112 Cl4 Co4 N24 O40 -","4","1","LN1103","Cai, Jiwen; Zhang, Yufei; Hu, Xiaopeng; Feng, Xiaolong","Tris(ethylenediamine-<i>N</i>,<i>N</i>')cobalt(III) oxalate perchlorate dihydrate","Acta Crystallographica Section C","2000","56","6","661","663","10.1107/S0108270100004200","","","0.71073","MoKα","","0.0396","0.0306","","","","0.09","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011018","12.52","0.02","6.944","0.001","12.919","0.001","90","","90","","90","","1123.2","1.8","123.2","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H22 B P -","- C9 H22 B P -","- C36 H88 B4 P4 -","4","1","OA1100","Atsushi Ohashi; Tsuneo Imamoto","1-<i>tert</i>-Butyl-2-methylphospholane‒borane and its coupling product 2,2'-bis(1-<i>tert</i>-butylphospholane‒borane)","Acta Crystallographica Section C","2000","56","6","723","725","10.1107/S0108270100004066","","","1.5418","CuKα","","","0.0391","","","","0.0495","","","","","","1.913","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011019","10.346","0.001","9.796","0.002","20.597","0.001","90","","100.805","0.008","90","","2050.5","0.5","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H38 B2 P2 -","- C16 H38 B2 P2 -","- C64 H152 B8 P8 -","4","0.5","OA1100","Atsushi Ohashi; Tsuneo Imamoto","1-<i>tert</i>-Butyl-2-methylphospholane‒borane and its coupling product 2,2'-bis(1-<i>tert</i>-butylphospholane‒borane)","Acta Crystallographica Section C","2000","56","6","723","725","10.1107/S0108270100004066","","","1.5418","CuKα","","","0.0479","","","","0.0583","","","","","","1.787","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011020","7.092","0.008","30.78","0.03","7.126","0.007","90","","116.96","0.12","90","","1386","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","cis-(Malonato)[(4R,5R)-4,5-bis(aminomethyl)-2,2-dimethyl- 1,3-dioxolane]platinum(II)","","- C10 H18 N2 O6 Pt -","- C10 H18 N2 O6 Pt -","- C40 H72 N8 O24 Pt4 -","4","2","OB1028","Cho, Sang Woo; Cho, Yongkee; Kim, Dae-Kee; Shin, Whanchul","<i>cis</i>-[(4<i>R</i>,5<i>R</i>)-4,5-Bis(aminomethyl)-2,2-dimethyl-1,3-dioxolane-<i>N</i>,<i>N</i>'](malonato-<i>O</i>,<i>O</i>')platinum(II), an anticancer agent","Acta Crystallographica Section C","2000","56","6","653","654","10.1107/S0108270100003577","","","0.71073","MoKα","","0.058","0.046","","","","0.108","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011021","14.463","0.004","5.805","0.002","20.927","0.007","90","","101.27","0.04","90","","1723.1","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Octa-O-acetyl β,β-thio-Trehalose","","- C28 H38 O18 S -","- C28 H38 O18 S -","- C56 H76 O36 S2 -","2","1","OS1094","Färnbäck, Magnus; Eriksson, Lars; Widmalm, Göran","Octa-<i>O</i>-acetyl-β,β-thiotrehalose","Acta Crystallographica Section C","2000","56","6","700","701","10.1107/S0108270100003681","","","0.71073","MoKα","","0.2942","0.0551","","","","0.1235","","","","","","1.321","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011022","23.343","0.009","4.7027","0.0009","14.935","0.006","90","","104.36","0.05","90","","1588.3","1","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","Methyl 4-O-β-L-fucopyranosyl α-D-glucopyranoside hemihydrate","","- C13 H25 O10.5 -","- C13 H25 O10.5 -","- C52 H100 O42 -","4","1","OS1102","Eriksson, Lars; Stenutz, Roland; Widmalm, Göran","Methyl 4-<i>O</i>-β-<small>L</small>-fucopyranosyl α-<small>D</small>-glucopyranoside hemihydrate","Acta Crystallographica Section C","2000","56","6","702","704","10.1107/S0108270100003589","","","0.71073","MoKα","","0.051","0.035","","","","0.09","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011023","7.325","0.003","7.982","0.004","13.452","0.006","74.44","0.04","87.05","0.03","80.3","0.03","746.8","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H13 N5 -","- C18 H13 N5 -","- C36 H26 N10 -","2","1","OS1110","Dahl, Tor","Intermolecular interactions and molecular geometry in molecular complexes of <i>N</i>,<i>N</i>-dimethylaniline: the 1:1 complex with 1,2,4,5-tetracyanobenzene","Acta Crystallographica Section C","2000","56","6","708","710","10.1107/S0108270100003590","","","0.71069","MoKα","","0.0732","0.0427","","","","0.1498","","","","","","1.066","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011024","47.7172","0.0011","10.3463","0.0002","33.7261","0.0008","90","","133.694","0.008","90","","12038.9","1.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","o-benzoquinonediimine-dichloro-bis(triphenylphosphine)ruthenium(II)","","- C43.67 H42 Cl2.67 N2 O1.33 P2 Ru -","- C43.3333 H41.3333 Cl2 N2 O1.33333 P2 Ru -","- C520 H496 Cl24 N24 O16 P24 Ru12 -","12","1.5","QA0217","Venegas-Yazigi, Diego; Mirza, Hameed; Lever, A. B. P.; Lough, Alan J.; Costamagna, Juan; Vega, Andrés; Latorre, Ramón","(<i>o</i>-Benzoquinone diimine-<i>N</i>,<i>N</i>')dichlorobis(triphenylphosphine-<i>P</i>)ruthenium(II) 1.33-methanol 0.33-dichloromethane solvate","Acta Crystallographica Section C","2000","56","6","e245","e246","10.1107/S0108270100006144","","","0.71073","MoKα","","0.075","0.041","","","","0.106","","","","","","0.991","","","","has coordinates,has Fobs","194583","2020-10-21","18:00:00",""
"2011025","3.8515","0.0003","11.0201","0.0008","12.7303","0.0009","90","","92.312","0.002","90","","539.88","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C24 H20 N8 -","2","0.5","QA0228","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zhang, Jing; Xiong, Ren-Geng; You, Xiao-Zeng","Pyridine-4-carbaldehyde azine","Acta Crystallographica Section C","2000","56","6","e274","e275","10.1107/S0108270100007046","","","0.71073","MoKα","","0.079","0.067","","","","0.11","","","","","","1.247","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011026","7.136","0.003","23.71","0.003","25.964","0.004","90","","90","","90","","4393","2","298","1","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","propane-1,3-diammonium bis[(E)-3-(3-nitrophenyl)propenoate]","","- C21 H24 N4 O8 -","- C21 H24 N4 O8 -","- C168 H192 N32 O64 -","8","1","QA0234","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","1,3-Propanediammonium bis(3'-nitro-<i>trans</i>-cinnamate) and <i>trans</i>-1,2-cyclohexanediammonium bis(3'-nitro-<i>trans</i>-cinnamate)","Acta Crystallographica Section C","2000","56","6","e260","e261","10.1107/S0108270100006120","","","0.71073","MoKα","","","0.056","","","","0.167","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011027","26.919","0.004","7.572","0.003","11.966","0.003","90","","90","","90","","2439","1.2","298","1","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","trans-cyclohexane-1,2-diammonium bis[(E)-3-(3-nitrophenyl)propenoate]","","- C24 H28 N4 O8 -","- C24 H28 N4 O8 -","- C96 H112 N16 O32 -","4","0.5","QA0234","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","1,3-Propanediammonium bis(3'-nitro-<i>trans</i>-cinnamate) and <i>trans</i>-1,2-cyclohexanediammonium bis(3'-nitro-<i>trans</i>-cinnamate)","Acta Crystallographica Section C","2000","56","6","e260","e261","10.1107/S0108270100006120","","","0.71073","MoKα","","","0.074","","","","0.19","","","","","","1.77","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011028","8.1341","0.0012","13.4171","0.0019","9.2291","0.0014","90","","90","","90","","1007.2","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H12 N4 -","- C9 H12 N4 -","- C36 H48 N16 -","4","1","QA0267","Xu, An-Wu; Cai, Yue-Peng; Su, Cheng-Yong; Liu, Hong-Ke","Tris(2-cyanoethyl)amine","Acta Crystallographica Section C","2000","56","6","e262","e262","10.1107/S0108270100006156","","","0.71073","MoKα","","0.047","0.033","","","","0.081","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011029","13.658","0.002","14.199","0.003","11.72","0.003","104.92","0.02","112.08","0.02","68.32","0.01","1938.5","0.8","299","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Cl2 Cu N3 O5 -","- C17 H17 Cl2 Cu N3 O5 -","- C68 H68 Cl8 Cu4 N12 O20 -","4","2","QA0275","Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo","Four copper(II) complexes with potentially tetradentate tripodal ligands","Acta Crystallographica Section C","2000","56","6","e233","e235","10.1107/S010827010000603X","","","0.71073","MoKα","","","0.046","","","","0.148","","","","","","0.99","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011030","23.377","0.004","9.204","0.002","16.361","0.003","90","","102.43","0.01","90","","3437.7","1.1","295","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cl6 Cu3 N6 O2 -","- C28 H34 Cl6 Cu3 N6 O2 -","- C112 H136 Cl24 Cu12 N24 O8 -","4","0.5","QA0275","Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo","Four copper(II) complexes with potentially tetradentate tripodal ligands","Acta Crystallographica Section C","2000","56","6","e233","e235","10.1107/S010827010000603X","","","0.71073","MoKα","","","0.04","","","","0.131","","","","","","1","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2011031","9.282","0.003","11.592","0.004","19.731","0.003","90","","90.76","0.02","90","","2122.8","1.1","299","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Cl2 Cu N4 O5 -","- C18 H24 Cl2 Cu N4 O5 -","- C72 H96 Cl8 Cu4 N16 O20 -","4","1","QA0275","Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo","Four copper(II) complexes with potentially tetradentate tripodal ligands","Acta Crystallographica Section C","2000","56","6","e233","e235","10.1107/S010827010000603X","","","0.71073","MoKα","","","0.049","","","","0.197","","","","","","1.32","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011032","11.855","0.003","15.258","0.002","13.186","0.003","90","","105.14","0.02","90","","2302.3","0.9","299","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl Cu F6 N4 P -","- C19 H26 Cl Cu F6 N4 P -","- C76 H104 Cl4 Cu4 F24 N16 P4 -","4","1","QA0275","Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo","Four copper(II) complexes with potentially tetradentate tripodal ligands","Acta Crystallographica Section C","2000","56","6","e233","e235","10.1107/S010827010000603X","","","0.71073","MoKα","","","0.045","","","","0.147","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011033","9.7989","0.0002","15.016","0.0005","17.7189","0.0005","90","","104.595","0.0016","90","","2523.04","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Mn N10 -","- C28 H16 Mn N10 -","- C112 H64 Mn4 N40 -","4","1","QA0283","Wang, Zhe-Ming; Luo Jun; Sun Bai-Wang; Yan Chun-Hua; Liao Chun-Sheng; Gao Song","<i>cis</i>-Bis(dicyanamido)bis(1,10-phenanthroline)manganese(II) and <i>cis</i>-bis(dicyanamido)bis(1,10-phenanthroline)zinc(II)","Acta Crystallographica Section C","2000","56","6","e242","e244","10.1107/S0108270100006132","","","0.71073","MoKα","","0.088","0.045","","","","0.11","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011034","9.68","0.0003","15.0697","0.0007","17.7166","0.0008","90","","104.628","0.002","90","","2500.63","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N10 Zn -","- C28 H16 N10 Zn -","- C112 H64 N40 Zn4 -","4","1","QA0283","Wang, Zhe-Ming; Luo Jun; Sun Bai-Wang; Yan Chun-Hua; Liao Chun-Sheng; Gao Song","<i>cis</i>-Bis(dicyanamido)bis(1,10-phenanthroline)manganese(II) and <i>cis</i>-bis(dicyanamido)bis(1,10-phenanthroline)zinc(II)","Acta Crystallographica Section C","2000","56","6","e242","e244","10.1107/S0108270100006132","","","0.71073","MoKα","","0.086","0.045","","","","0.087","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011035","13.659","0.002","10.045","0.002","9.4366","0.0016","90","","108.205","0.018","90","","1229.9","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethylphenylsulfonium trifluormethansulfonate","","- C9 H11 F3 O3 S2 -","- C9 H11 F3 O3 S2 -","- C36 H44 F12 O12 S8 -","4","1","QA0284","Schulze-Matthäi, Kerstin; Bendig, Jürgen; Neubauer, Petra; Ziemer, Burkhard","Dimethylphenylsulfonium trifluoromethanesulfonate and methyldiphenylsulfonium trifluoromethanesulfonate","Acta Crystallographica Section C","2000","56","6","e257","e258","10.1107/S0108270100006077","","","0.71073","MoKα","","0.049","0.044","","","","0.125","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011036","12.5122","0.0013","9.0284","0.0006","15.3932","0.0014","90","","113.552","0.008","90","","1594","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyldiphenylsulfonium trifluoromethansulfonate","","- C14 H13 F3 O3 S2 -","- C14 H13 F3 O3 S2 -","- C56 H52 F12 O12 S8 -","4","1","QA0284","Schulze-Matthäi, Kerstin; Bendig, Jürgen; Neubauer, Petra; Ziemer, Burkhard","Dimethylphenylsulfonium trifluoromethanesulfonate and methyldiphenylsulfonium trifluoromethanesulfonate","Acta Crystallographica Section C","2000","56","6","e257","e258","10.1107/S0108270100006077","","","0.71073","MoKα","","0.036","0.031","","","","0.082","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011037","17.843","0.004","7.2015","0.0014","33.176","0.007","90","","95.59","0.03","90","","4242.7","1.6","293","2","29","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","tris-(4-Tolyl)phenylmethane","tris-(4-Tolyl)phenylmethane","","- C28 H26 -","- C28 H26 -","- C224 H208 -","8","1","QA0285","Jetti, Ram K. R.; Nangia, Ashwini","[Tris(4-tolyl)methyl]benzene","Acta Crystallographica Section C","2000","56","6","e259","e259","10.1107/S0108270100006090","","","0.71073","MoKα","","0.098","0.057","","","","0.173","","","","","","1.153","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011038","8.96","0.001","8.96","0.001","16.617","0.004","90","","90","","90","","1334","0.4","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Potassium Barium Bismuth oxide","","- Ba4 Bi3 K O -","- Ba4 Bi3 K O -","- Ba16 Bi12 K4 O4 -","4","0.125","QA0287","Derrien, Gaelle; Tillard, Monique; Monconduit, Laure; Belin, Claude","Potassium barium bismuth oxide","Acta Crystallographica Section C","2000","56","6","e232","e232","10.1107/S0108270100006855","","","0.71069","MoKα","","0.072","0.046","","","","0.112","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011039","25.0892","0.0018","11.0572","0.0008","22.0033","0.0015","90","","111.395","0.002","90","","5683.4","0.7","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(η^5^-(2-(p-tolyl)prop-2-yl)cyclopentadienyl)-tribenzylzirconium","","- C36 H38 Zr -","- C36 H38 Zr -","- C288 H304 Zr8 -","8","2","QA0288","Sassmannshausen, Jörg; Rust, Jörg; Goddard, Richard","Tribenzyl{η^5^-[2-(<i>p</i>-tolyl)prop-2-yl]cyclopentadienyl}zirconium","Acta Crystallographica Section C","2000","56","6","e236","e237","10.1107/S0108270100006089","","","0.71073","MoKα","","0.084","0.044","","","","0.1","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011040","6.9867","0.0001","6.3049","0.0001","25.233","0.0001","90","","91.7544","0.0008","90","","1111","0.02","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexaaquacobalt(II) 4-Toluenesulfonate","","- C14 H26 Co O12 S2 -","- C14 H26 Co O12 S2 -","- C28 H52 Co2 O24 S4 -","2","0.5","QA0289","Cabaleiro-Martínez, Santiago; Castro, Jesús; Romero, Jaime; García-Vázquez, José A.; Sousa, Antonio","Hexaaquacobalt(II) bis(4-toluenesulfonate)","Acta Crystallographica Section C","2000","56","6","e249","e250","10.1107/S0108270100006600","","","0.71073","MoKα","","0.041","0.036","","","","0.098","","","","","","1.012","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011041","9.1481","0.0009","24.877","0.002","7.225","0.001","90","","90.82","0.01","90","","1644.1","0.3","292","1","292","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","n-butylammonium dihydrogenphosphate","","- C4 H14 N O4 P -","- C4 H14 N O4 P -","- C32 H112 N8 O32 P8 -","8","2","QA0290","Fábry, Jan; Císařová, Ivana; Kroupa, Jan","Ferroelastic <i>n</i>-butylammonium dihydrogenphosphate","Acta Crystallographica Section C","2000","56","6","e263","e264","10.1107/S0108270100006326","","","0.71073","MoKα","","0.459","0.0308","","0.0423","","0.0423","","","2.13","2.39","2.39","2.13","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011042","10.4676","0.0018","10.4774","0.0015","10.5727","0.0018","71.878","0.012","64.619","0.012","69.533","0.012","963.5","0.3","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","2","QA0291","Kennedy, Alan R.; Khalaf, Abedawn I.; Suckling, Colin J.","3-Acetoxycyclohex-4-ene-1,2-dicarboxylic anhydride","Acta Crystallographica Section C","2000","56","6","e265","e266","10.1107/S0108270100006430","","","0.71069","MoKα","","0.069","0.039","","","","0.118","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011043","9.975","0.002","7.186","0.002","24.267","0.006","90","","98.78","0.01","90","","1719.1","0.7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","mineral hexahydrite","magnesium sulfate hexahydrate","","- H12 Mg O10 S -","- H12 Mg O10 S -","- H96 Mg8 O80 S8 -","8","1","QA0292","Batsanov, Andrei S.","Magnesium sulfate hexahydrate at 120K","Acta Crystallographica Section C","2000","56","6","e230","e231","10.1107/S0108270100006442","","","0.71073","MoKα","","0.03","0.029","","","","0.078","","","","","","1.189","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011044","5.479","0.002","10.84","0.004","11.159","0.003","90","","104.12","0.01","90","","642.7","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-difluoro-4-nitropyridine N-oxide","","- C5 H2 F2 N2 O3 -","- C5 H2 F2 N2 O3 -","- C20 H8 F8 N8 O12 -","4","1","QA0293","Batsanov, Andrei S.","3,5-Difluoro-4-nitropyridine <i>N</i>-oxide and 3,5-diamino-4-nitropyridine <i>N</i>-oxide monohydrate","Acta Crystallographica Section C","2000","56","6","e269","e270","10.1107/S0108270100006636","","","0.71073","MoKα","","0.064","0.04","","","","0.104","","","","","","1.143","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011045","7","0.001","13.123","0.001","8.263","0.001","90","","90","","90","","759.05","0.15","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,5-diamino-4-nitropyridine N-oxide monohydrate","","- C5 H8 N4 O4 -","- C5 H8 N4 O4 -","- C20 H32 N16 O16 -","4","1","QA0293","Batsanov, Andrei S.","3,5-Difluoro-4-nitropyridine <i>N</i>-oxide and 3,5-diamino-4-nitropyridine <i>N</i>-oxide monohydrate","Acta Crystallographica Section C","2000","56","6","e269","e270","10.1107/S0108270100006636","","","0.71073","MoKα","","0.042","0.035","","","","0.0933","","","","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011046","9.0719","0.0002","18.9903","0.0008","10.1528","0.0003","90","","103.62","0.002","90","","1699.92","0.1","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","BINAP oxide","(R)-(+)-2,2'-bis(diphenylphosphinoyl)-1,1'-binaphthyl","","- C44 H32 O2 P2 -","- C44 H32 O2 P2 -","- C88 H64 O4 P4 -","2","1","QA0294","Bunten, Kevin A.; Farrar, David H.; Lough, Alan J.","(<i>R</i>)-(+)-2,2'-Bis(diphenylphosphinoyl)-1,1'-binaphthyl","Acta Crystallographica Section C","2000","56","6","e267","e267","10.1107/S0108270100006508","","","0.71073","MoKα","","0.078","0.052","","","","0.099","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011047","7.431","0.004","7.604","0.003","16.007","0.006","93.61","0.03","95.5","0.04","99.89","0.04","884","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","2-hydroxy-4,6-dimethylacetophenone","2-hydroxy-4,6-dimethylphenylethanone","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","2","QA0296","Armelao, Lidia; Depaoli, Giovanni; Dolmella, Alessandro","1-(2-Hydroxy-4,6-dimethylphenyl)ethanone","Acta Crystallographica Section C","2000","56","6","e268","e268","10.1107/S0108270100006612","","","0.71073","MoKα","","0.11","0.049","","0.147","0.126","","","","0.913","1.157","1.157","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011048","12.19","0.002","9.147","0.002","14.612","0.003","90","","104.2","0.02","90","","1579.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cr O4 -","- C18 H14 Cr O4 -","- C72 H56 Cr4 O16 -","4","1","QA0298","Pèpe, Gérard; Hannesschlager, Patrick; Brun, Pierre","Tricarbonyl[(6a,7,8,9,10a-η)-3,3-dimethyl-3<i>H</i>-benzo[<i>f</i>]chromene]chromium","Acta Crystallographica Section C","2000","56","6","e251","e252","10.1107/S0108270100006843","","","0.71073","MoKα","","0.036","0.036","","0.073","","0.073","","","0.979","","","1.048","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011049","7.8786","0.0007","18.417","0.001","12.758","0.001","90","","96.971","0.005","90","","1837.5","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","QA0300","Winicker, Dominik; Bolte, Michael","Diethyl 9,10-dihydro-9,10-ethanoanthracene-11,12-<i>trans</i>-dicarboxylate","Acta Crystallographica Section C","2000","56","6","e271","e272","10.1107/S0108270100006867","","","0.71073","MoKα","","0.059","0.05","","","","0.138","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011050","10.6397","0.0006","8.2558","0.0005","13.0057","0.0007","90","","90","","90","","1142.41","0.11","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C4 Cl2 O3 -","- C4 Cl2 O3 -","- C32 Cl16 O24 -","8","1","QA0304","Blake, Alexander J.; Griffiths, Rhiannon M. T.; Howdle, Steven M.; Wilson, Claire","Dichloromaleic anhydride","Acta Crystallographica Section C","2000","56","6","e273","e273","10.1107/S0108270100007034","","","0.71073","MoKα","","0.026","0.023","","","","0.067","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011051","6.9505","0.0003","21.882","0.0008","12.9619","0.0005","90","","100.239","0.001","90","","1939.99","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-4-benzoyl-2-methyl-5-phenyl-3,3a-dihydropyrazolo[2,3-c]pyrimidine- 7(6H)-thione","","- C22 H19 N3 O2 S -","- C22 H19 N3 O2 S -","- C88 H76 N12 O8 S4 -","4","1","QA0307","Akkurt, Mehmet; Öztürk, Sema; Fun, Hoong-Kun; Altural, Behzat","3-Acetyl-4-benzoyl-2-methyl-5-phenyl-3,3a-dihydropyrazolo[2,3-<i>c</i>]pyrimidine-7(6<i>H</i>)-thione","Acta Crystallographica Section C","2000","56","6","e276","e277","10.1107/S0108270100007241","","","0.71073","MoKα","","0.143","0.061","","0.152","0.123","","","","0.953","1.107","1.107","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011052","12.426","0.003","29.446","0.01","7.45","0.009","90","","90","","90","","2726","3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","Dysobinin","6β-acetoxyazadirone","","- C30 H38 O6 -","- C30 H38 O6 -","- C120 H152 O24 -","4","1","QB0200","Sarkhel, Sanjay; Jain, Girish K.; Singh, Satywan; Subramanya, Hosahalli. S.; Maulik, Prakas R.","Dysobinin, a tetranortriterpenoid","Acta Crystallographica Section C","2000","56","6","e253","e254","10.1107/S0108270100006041","","","0.7093","MoKα","","0.094","0.045","","","","0.127","","","","","","0.971","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011053","16.7683","0.0003","9.7089","0.0002","11.116","0.002","90","","90.9963","0.0011","90","","1809.4","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","7-Methyl-3,7,11,17-tetraazabicyclo[11.3.1]-heptadeca-1(17),13,15-triene dihydrochloride monohydrate","","- C14 H28 Cl2 N4 O -","- C14 H28 Cl2 N4 O -","- C56 H112 Cl8 N16 O4 -","4","1","QB0201","Lodeiro, Carlos; Bastida, Rufina; Macías, Alejandro; Rodríguez, Adolfo; Saint-Maurice, Andre","Two hydrochlorides of 7-methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene","Acta Crystallographica Section C","2000","56","6","e255","e256","10.1107/S0108270100006065","","","0.71073","MoKα","","0.037","0.035","","","","0.112","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011054","10.7592","0.0003","10.8825","0.0003","15.4988","0.0003","90","","93.9033","0.0013","90","","1810.5","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-Methyl-3,7,11,17-tetraazabicyclo[11.3.1]-heptadeca-1(17),13,15-triene trihydrochloride","","- C14 H27 Cl2.826 N4.174 O0.522 -","- C14 H27 Cl2.826 N4.174 O0.522 -","- C56 H108 Cl11.304 N16.696 O2.088 -","4","1","QB0201","Lodeiro, Carlos; Bastida, Rufina; Macías, Alejandro; Rodríguez, Adolfo; Saint-Maurice, Andre","Two hydrochlorides of 7-methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene","Acta Crystallographica Section C","2000","56","6","e255","e256","10.1107/S0108270100006065","","","0.71073","MoKα","","0.117","0.054","","","","0.122","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011055","24.2211","0.0008","10.6752","0.0004","35.1913","0.0012","90","","107.747","0.002","90","","8666.2","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(Acetonitrile-N)(o-benzoquinone diimine-N,N')chloro-trans- bis(triphenylphosphine-P)ruthenium(II) hexafluorophosphate 0.25-hydrate","","- C44 H39.5 Cl F6 N3 O0.25 P3 Ru -","- C44 H39 Cl F6 N3 O0.25 P3 Ru -","- C352 H312 Cl8 F48 N24 O2 P24 Ru8 -","8","2","QB0209","Venegas-Yazigi, Diego; Mirza, Hameed; Lever, A. B. P.; Lough, Alan J.; Costamagna, Juan; Latorre, Ramón","(Acetonitrile-<i>N</i>)(<i>o</i>-benzoquinone diimine-<i>N</i>,<i>N</i>')chloro-<i>trans</i>-bis(triphenylphosphine-<i>P</i>)ruthenium(II) hexafluorophosphate 0.25-hydrate","Acta Crystallographica Section C","2000","56","6","e247","e248","10.1107/S0108270100006314","","","0.71073","MoKα","","0.165","0.056","","","","0.118","","","","","","0.875","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011056","12.033","0.002","12.033","0.002","13.863","0.004","90","","90","","120","","1738.3","0.6","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","rinneite","tripotassium sodium hexachloroferrate(II)","","- Cl6 Fe K3 Na -","- Cl6 Fe K3 Na -","- Cl36 Fe6 K18 Na6 -","6","0.166667","QB0210","Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa","Rinneite, K~3~Na[FeCl~6~], at 293, 84 and 9.5K","Acta Crystallographica Section C","2000","56","6","e228","e229","10.1107/S0108270100006053","","","0.71073","MoKα","","0.017","0.017","","","","0.031","","","","","","1.623","","","","has coordinates,has Fobs","282532","2023-04-10","14:59:13",""
"2011057","11.922","0.001","11.922","0.001","13.761","0.002","90","","90","","120","","1693.9","0.3","84","2","84","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","rinneite","tripotassium sodium hexachloroferrate(II)","","- Cl6 Fe K3 Na -","- Cl6 Fe K3 Na -","- Cl36 Fe6 K18 Na6 -","6","0.166667","QB0210","Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa","Rinneite, K~3~Na[FeCl~6~], at 293, 84 and 9.5K","Acta Crystallographica Section C","2000","56","6","e228","e229","10.1107/S0108270100006053","","","0.71073","MoKα","","0.02","0.018","","","","0.036","","","","","","1.398","","","","has coordinates,has Fobs","282532","2023-04-10","14:59:13",""
"2011058","11.893","0.001","11.893","0.001","13.735","0.002","90","","90","","120","","1682.4","0.3","9.5","0.5","9.5","0.5","","","","","","","","4","R -3 c :H","-R 3 2""c","167","rinneite","tripotassium sodium hexachloroferrate(II)","","- Cl6 Fe K3 Na -","- Cl6 Fe K3 Na -","- Cl36 Fe6 K18 Na6 -","6","0.166667","QB0210","Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa","Rinneite, K~3~Na[FeCl~6~], at 293, 84 and 9.5K","Acta Crystallographica Section C","2000","56","6","e228","e229","10.1107/S0108270100006053","","","0.71073","MoKα","","0.02","0.02","","","","0.05","","","","","","1.459","","","","has coordinates,has Fobs","282532","2023-04-10","14:59:13",""
"2011059","17.632","0.0004","18.284","0.0004","22.998","0.0004","90","","91.27","0.0014","90","","7412.4","0.3","100","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Cl3 Cr N6 O13 -","- C36 H24 Cl3 Cr N6 O13 -","- C288 H192 Cl24 Cr8 N48 O104 -","8","1","QB0212","Luck, Rudy L.; Gawryszewska, Paula; Riehl, James P.","Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')chromium(III) triperchlorate hydrate","Acta Crystallographica Section C","2000","56","6","e238","e239","10.1107/S0108270100006107","","","0.71073","MoKα","","","0.075","","","","0.241","","","","","","1.028","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011060","21.078","0.0004","15.0708","0.0004","15.9811","0.0003","90","","102.823","0.001","90","","4949.98","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[copper(I)-di-1,10-phenanthroline)]terephthalate bisperchlorate","","- C56 H36 Cl2 Cu2 N8 O12 -","- C56 H36 Cl2 Cu2 N8 O12 -","- C224 H144 Cl8 Cu8 N32 O48 -","4","0.5","QB0213","Sun, Daofeng; Cao, Rong; Liang, Yucang; Hong, Maochun; Su, Weiping; Weng, Jiabao","μ-Terephthalato-bis[bis(1,10-phenanthroline)copper(I)] diperchlorate","Acta Crystallographica Section C","2000","56","6","e240","e241","10.1107/S0108270100006119","","","0.71073","MoKα","","0.052","0.039","","","","0.106","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011061","11.615","0.002","12","0.001","13.789","0.001","80.03","0.01","84.42","0.01","62.92","0.01","1685","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(ferrocenium) bis[tetrachloroantimonate(III)] trichloroantimony(III)","","- C20 H20 Cl11 Fe2 Sb3 -","- C20 H20 Cl11 Fe2 Sb3 -","- C40 H40 Cl22 Fe4 Sb6 -","2","1","SK1355","Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Yamin, Bohari M.; Hashim, Norhayati","Bis(ferrocenium) bis[tetrachloroantimonate(III)] trichloroantimony(III)","Acta Crystallographica Section C","2000","56","6","664","665","10.1107/S0108270100002912","","","0.71073","MoKα","","0.086","0.04","","","","0.085","","","","","","0.81","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011062","37.605","0.007","7.7797","0.0006","10.347","0.002","90","","90.82","0.02","90","","3026.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disodium tetrakis(hexanoato-O)zinc(II)","","- C24 H44 Na2 O8 Zn -","- C24 H44 Na2 O8 Zn -","- C96 H176 Na8 O32 Zn4 -","4","0.5","SK1361","Lah, Nina; Rep, Gregor; Šegedin, Primož; Golič, Ljubo; Leban, Ivan","Disodium tetrakis(hexanoato-<i>O</i>)zinc(II)","Acta Crystallographica Section C","2000","56","6","642","643","10.1107/S0108270100002924","","","0.71073","MoKα","","0.115","0.055","","","","0.133","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011063","4.8249","0.0005","13.0267","0.0016","15.5518","0.0011","90","","90.766","0.007","90","","977.38","0.17","295","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Br6 Cu N2 O2 -","- C12 H10 Br6 Cu N2 O2 -","- C24 H20 Br12 Cu2 N4 O4 -","2","0.5","SK1366","Tatar, Leyla; Gökağac, Gülsün; Ülkü, Dinçer","Diamminebis(2,4,6-tribromophenolato-<i>O</i>)copper(II)","Acta Crystallographica Section C","2000","56","6","668","669","10.1107/S0108270100003966","","","1.54184","CuKα","","","0.045","","","","0.057","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2011064","13.5984","0.0005","9.6927","0.0003","10.3211","0.0004","90","","108.981","0.001","90","","1286.41","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Self-assembly of 2-pivaloylchloropterin","","- C11 H12 Cl N5 O2 -","- C11 H12 Cl N5 O2 -","- C44 H48 Cl4 N20 O8 -","4","1","SK1368","Goswami, Shyamaprosad; Mukherjee, Reshmi; Ghosh, Kumaresh; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","Self-assembly of 2-pivaloyl-6-chloropterin","Acta Crystallographica Section C","2000","56","6","716","717","10.1107/S0108270100004121","","","0.71073","MoKα","","0.083","0.055","","","","0.157","","","","","","1.07","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011065","10.24","0.0003","9.7505","0.0002","15.031","0.0004","90","","90","","90","","1500.77","0.07","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","SK1369","Bei, Fengli; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","1,4-Bis(2-benzimidazolyl)benzene","Acta Crystallographica Section C","2000","56","6","718","719","10.1107/S0108270100003978","","","0.71073","MoKα","","0.111","0.0667","","","","0.1551","","","","","","1.117","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011066","7.2971","0.0004","7.0999","0.0004","27.0085","0.0015","90","","95.62","0.01","90","","1392.55","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","S-(2-nitrophenyl)-4-toluenethiosulfonate","","- C13 H11 N O4 S2 -","- C13 H11 N O4 S2 -","- C52 H44 N4 O16 S8 -","4","1","SK1372","Low, John Nicolson; Glidewell, Christopher; Wardell, James L.","Conformational preferences in 2-nitrophenylthiolates: <i>S</i>-(2-nitrophenyl) 4-toluenethiosulfonate","Acta Crystallographica Section C","2000","56","6","689","691","10.1107/S0108270100003346","","","0.71073","MoKα","","0.045","0.032","","","","0.083","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011067","13.1835","0.0011","6.505","0.0004","15.2171","0.0009","90","","92.217","0.004","90","","1304.02","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","S-(4-tolyl) 4-toluenethiosulfonate at 150K","","- C14 H14 O2 S2 -","- C14 H14 O2 S2 -","- C56 H56 O8 S8 -","4","1","SK1374","Ferguson, George; Glidewell, Christopher; Low, John Nicolson; Wardell, James L","A second monoclinic polymorph of <i>S</i>-(4-tolyl) 4-toluenethiosulfonate at 150 and 293K","Acta Crystallographica Section C","2000","56","6","692","694","10.1107/S0108270100003280","","","0.71073","MoKα","","0.05","0.04","","","","0.118","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011068","13.3579","0.0007","6.6176","0.0004","15.2123","0.0011","90","","92.1322","0.0019","90","","1343.79","0.14","293","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","S-(4-tolyl) 4-toluenethiosulfonate at 293K","","- C14 H14 O2 S2 -","- C14 H14 O2 S2 -","- C56 H56 O8 S8 -","4","1","SK1374","Ferguson, George; Glidewell, Christopher; Low, John Nicolson; Wardell, James L","A second monoclinic polymorph of <i>S</i>-(4-tolyl) 4-toluenethiosulfonate at 150 and 293K","Acta Crystallographica Section C","2000","56","6","692","694","10.1107/S0108270100003280","","","0.71073","MoKα","","0.109","0.049","","","","0.148","","","","","","0.976","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011069","7.1167","0.0007","14.1692","0.0015","12.6473","0.0014","90","","93.753","0.004","90","","1272.6","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis-(4-nitrophenyl)disulfide","","- C12 H8 N2 O4 S2 -","- C12 H8 N2 O4 S2 -","- C48 H32 N8 O16 S8 -","4","0.5","SK1379","Wardell, James L.; Low, John Nicolson; Glidewell, Christopher","Bis(4-nitrophenyl) disulfide at 150K, a three-dimensional framework built from C—H···O hydrogen bonds and aromatic π···π stacking interactions","Acta Crystallographica Section C","2000","56","6","679","681","10.1107/S0108270100004649","","","0.71073","MoKα","","0.07","0.045","","","","0.107","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011070","10.417","0.003","8.263","0.002","16.5049","0.0012","90","","92.746","0.011","90","","1419","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-Phenyl-8-oxa-9-aza-1,4,4-trimethylbicyclo[3.2.2]non-6-en-one","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","SX1097","Russi, Silvia; Pardo, Helena; Heinzen, Horacio; Dias, Eduardo; Moyna, Patrick; Mariezcurrena, Raúl A.; Suescun, Leopoldo; Mombrú, Alvaro W.","1,4,4-Trimethyl-9-phenyl-8-oxa-9-azabicyclo[3.2.2]non-6-en-2-one","Acta Crystallographica Section C","2000","56","6","672","673","10.1107/S0108270100002729","","","0.71069","MoKα","","0.0989","0.0422","","","","0.1393","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011071","7.2267","0.0006","13.2561","0.0011","13.1906","0.0011","90","","99.189","0.001","90","","1247.41","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Pentacarbonyl(pyridine-4-thione)tungsten (0)","","- C10 H5 N O5 S W -","- C10 H5 N O5 S W -","- C40 H20 N4 O20 S4 W4 -","4","1","BK1522","Choi, Moon-Gun; Angelici, Robert J.","Pyridine‒pyridine π‒π stacking interactions in pentacarbonyl[pyridine-4(1<i>H</i>)-thione]tungsten(0)","Acta Crystallographica Section C","2000","56","7","808","810","10.1107/S0108270100006168","","","0.71073","MoKα","","0.0289","0.0229","","","","0.0541","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011072","7.4654","0.0015","9.233","0.002","11.895","0.002","103.73","0.03","90.73","0.03","112.98","0.03","728.2","0.3","174","2","174","2","","","","","","","","5","P -1","-P 1","2","","1,2-bis(imidazolidine-2-thione)-1,2-dicyano-digold(I)","","- C8 H12 Au2 N6 S2 -","- C8 H12 Au2 N6 S2 -","- C16 H24 Au4 N12 S4 -","2","1","BK1525","Stocker, Fred B.; Britton, Doyle","1,2-Dicyano-1,2-bis(imidazolidine-2-thione)digold(I) and 2,2-dicyano-1,1-bis(dimethylthiourea)digold(I)","Acta Crystallographica Section C","2000","56","7","798","800","10.1107/S0108270100005783","","","0.71073","MoKα","","0.042","0.036","","0.093","0.089","","","","0.94","1","1","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011073","13.3922","0.0002","7.817","0.0001","14.9588","0.0003","90","","94.506","0.001","90","","1561.15","0.04","174","2","174","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1-bis(dimethylthiourea)-2,2-dicyano-digold(I)","","- C8 H16 Au2 N6 S2 -","- C8 H16 Au2 N6 S2 -","- C32 H64 Au8 N24 S8 -","4","1","BK1525","Stocker, Fred B.; Britton, Doyle","1,2-Dicyano-1,2-bis(imidazolidine-2-thione)digold(I) and 2,2-dicyano-1,1-bis(dimethylthiourea)digold(I)","Acta Crystallographica Section C","2000","56","7","798","800","10.1107/S0108270100005783","","","0.71073","MoKα","","0.032","0.026","","0.063","0.061","","","","1.07","1.1","1.1","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011074","10.352","0.001","20.083","0.002","6.828","0.004","90","","90","","90","","1419.5","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-poly[[diaqua(phenanthroline-N,N')cadmium(II)-μ-(sulfato- O:O')]","","- C12 H12 Cd N2 O6 S -","- C12 H12 Cd N2 O6 S -","- C48 H48 Cd4 N8 O24 S4 -","4","1","BK1526","Harvey, Miguel; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo F.","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')] and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')]","Acta Crystallographica Section C","2000","56","7","811","813","10.1107/S010827010000617X","","","0.71073","MoKα","","0.032","0.026","","","","0.076","","","","","","0.995","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011075","15.384","0.003","14.826","0.003","6.926","0.001","90","","107.54","0.03","90","","1506.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cd N2 O6 S -","- C14 H16 Cd N2 O6 S -","- C56 H64 Cd4 N8 O24 S4 -","4","0.5","BK1526","Harvey, Miguel; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo F.","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')] and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')]","Acta Crystallographica Section C","2000","56","7","811","813","10.1107/S010827010000617X","","","0.71073","MoKα","","0.028","0.026","","","","0.073","","","","","","1.05","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011076","16.456","0.0014","5.5761","0.0009","11.9512","0.0012","90","","94.517","0.007","90","","1093.2","0.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4,8,10-tetraoxa-3,9-diphosphaspiro[5,5]undecane, 3,9,-dimethyl-3,9-dioxide","","- C7 H14 O6 P2 -","- C7 H14 O6 P2 -","- C28 H56 O24 P8 -","4","0.5","BK1533","Elnagar, Hassan Y.; Ranken, Paul F.; Fronczek, Frank R.","A pentaerythritol-derived spirodiphosphonate","Acta Crystallographica Section C","2000","56","7","905","906","10.1107/S0108270100006181","","","0.71073","Mo-Kα","","0.034","0.031","","0.047","","0.047","","","1.983","","","1.911","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011077","12.309","0.004","13.659","0.003","13.611","0.001","89.92","0.01","94.1","0.01","95.01","0.02","2273.8","0.9","100","","100","","","","","","","","","4","P -1","-P 1","2","","tetrabutylammonium-α-acetyl-γ-butyrolactonate","","- C22 H43 N O3 -","- C22 H43 N O3 -","- C88 H172 N4 O12 -","4","2","BM1402","Goddard, Richard; Hütte, Stephan; Reetz, Manfred T.","Tetrabutylammonium α-acetyl-γ-butyrolactonate containing a three-dimensional hydrogen-bonded network","Acta Crystallographica Section C","2000","56","7","878","880","10.1107/S0108270100004959","","","0.71073","MoKα","","0.113","0.0743","","","","0.219","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011078","6.417","0.003","8.963","0.004","11.902","0.006","93.35","0.04","90.89","0.04","92.88","0.04","682.4","0.6","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 N4 -","- C16 H16 N4 -","- C32 H32 N8 -","2","1","BM1407","Nesterov, Vladimir N.; Viltchinskaia, Elena A.","6-Amino-5,5,7-tricyano-3,3a,4,5-tetrahydro-2<i>H</i>-indene-4-spirocyclopentane","Acta Crystallographica Section C","2000","56","7","872","873","10.1107/S0108270100004832","","","0.71073","MoKα","","0.0744","0.0473","","","","0.122","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011079","12.296","0.002","12.296","0.002","12.296","0.002","90","","90","","90","","1859.1","0.5","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Rubidium chromium sulfate dodecahydrate","Chromium alpha-Alums","","- Cr H24 O20 Rb S2 -","- Cr H24 O20 Rb S2 -","- Cr4 H96 O80 Rb4 S8 -","4","0.166667","BR1280","Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.","The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K","Acta Crystallographica Section C","2000","56","7","731","734","10.1107/S0108270100004960","","","0.71073","MoKα","","0.0424","0.0321","","","","0.0803","","","","","","1.046","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011080","12.241","0.002","12.241","0.002","12.241","0.002","90","","90","","90","","1834.2","0.5","12","2","12","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Rubidium chromium sulfate dodecahydrate","Chromium alpha-Alums","","- Cr H24 O20 Rb S2 -","- Cr H24 O20 Rb S2 -","- Cr4 H96 O80 Rb4 S8 -","4","0.166667","BR1280","Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.","The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K","Acta Crystallographica Section C","2000","56","7","731","734","10.1107/S0108270100004960","","","0.71073","MoKα","","0.0226","0.0189","","","","0.0446","","","","","","1.094","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011081","12.585","0.001","12.585","0.001","12.585","0.001","90","","90","","90","","1993.2","0.3","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Caesium chromium bis(selenate) dodecahydrate","Chromium alpha-Alums","","- Cr Cs H24 O20 Se2 -","- Cr Cs H24 O20 Se2 -","- Cr4 Cs4 H96 O80 Se8 -","4","0.166667","BR1280","Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.","The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K","Acta Crystallographica Section C","2000","56","7","731","734","10.1107/S0108270100004960","","","0.71073","MoKα","","0.023","0.0199","","","","0.0443","","","","","","1.259","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011082","12.522","0.003","12.522","0.003","12.522","0.003","90","","90","","90","","1963.5","0.8","12","2","12","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","Caesium chromium bis(selenate) dodecahydrate","Chromium alpha-Alums","","- Cr Cs H24 O20 Se2 -","- Cr Cs H24 O20 Se2 -","- Cr4 Cs4 H96 O80 Se8 -","4","0.166667","BR1280","Figgis, Brian N.; Reynolds, Philip A.; Sobolev, Alexandre N.","The structures of the α-alums RbCr(SO~4~)~2~·12H~2~O and CsCr(SeO~4~)~2~·12H~2~O at 293 and 12K","Acta Crystallographica Section C","2000","56","7","731","734","10.1107/S0108270100004960","","","0.71073","MoKα","","0.0203","0.0186","","","","0.0417","","","","","","1.309","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011083","8.501","0.002","10.426","0.002","11.282","0.002","68.46","0.03","87.3","0.03","67.14","0.03","851.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Tetraammonium disodium decavanadate 10-hydrate","Tetraammonium dinatrium decavanadate 10-hydrate","","- H36 N4 Na2 O38 V10 -","- H36 N4 Na2 O38 V10 -","- H36 N4 Na2 O38 V10 -","1","0.5","BR1283","Fratzky, Dietmar; Schneider, Matthias; Rabe, Stefan; Meisel, Manfred","(NH~4~)~4~Na~2~[V~10~O~28~]·10H~2~O","Acta Crystallographica Section C","2000","56","7","740","741","10.1107/S0108270100005448","","","0.71073","MoKα","","0.04","0.036","","","","0.102","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011084","7.4","0.003","18.511","0.005","8.92","0.003","90","","111.91","0.02","90","","1133.6","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenylazoaniline hydrochloride","","- C12 H12 Cl N3 -","- C12 H12 Cl N3 -","- C48 H48 Cl4 N12 -","4","1","BR1286","Yatsenko, A. V.; Chernyshev, V. V.; Kurbakov, A. I.; Schenk, H.","<i>p</i>-Phenylazoaniline hydrochloride from powder data: protonation site and UV‒visible spectra","Acta Crystallographica Section C","2000","56","7","892","894","10.1107/S0108270100005357","","","1.5418","CuKα","","","","","","","","","","1.75","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011085","11.207","0.002","8.21","0.001","7.696","0.001","90","","90.25","0.01","90","","708.1","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cesium potassium manganicyanide","dicesium potassium hexacyanomanganate(III)","","- C6 Cs2 K Mn N6 -","- C6 Cs2 K Mn N6 -","- C12 Cs4 K2 Mn2 N12 -","2","0.5","BR1288","Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa","Cs~2~K[Mn(CN)~6~] at 293, 85 and 10K","Acta Crystallographica Section C","2000","56","7","735","737","10.1107/S0108270100005369","","","0.71073","MoKα","","0.025","0.025","","","","0.06","","","","","","1.117","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011086","11.084","0.002","8.213","0.001","7.617","0.001","90","","90.77","0.01","90","","693.33","0.18","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cesium potassium manganicyanide","dicesium potassium hexacyanomanganate(III)","","- C6 Cs2 K Mn N6 -","- C6 Cs2 K Mn N6 -","- C12 Cs4 K2 Mn2 N12 -","2","0.5","BR1288","Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa","Cs~2~K[Mn(CN)~6~] at 293, 85 and 10K","Acta Crystallographica Section C","2000","56","7","735","737","10.1107/S0108270100005369","","","0.71073","MoKα","","0.038","0.031","","","","0.079","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011087","11.074","0.007","8.227","0.002","7.6135","0.0005","90","","90.95","0.04","90","","693.5","0.5","10","2","10","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cesium potassium manganicyanide","dicesium potassium hexacyanomanganate(III)","","- C6 Cs2 K Mn N6 -","- C6 Cs2 K Mn N6 -","- C12 Cs4 K2 Mn2 N12 -","2","0.5","BR1288","Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa","Cs~2~K[Mn(CN)~6~] at 293, 85 and 10K","Acta Crystallographica Section C","2000","56","7","735","737","10.1107/S0108270100005369","","","0.71073","MoKα","","0.032","0.031","","","","0.077","","","","","","1.222","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011088","5.73","0.001","10.213","0.002","12.232","0.002","68.15","0.03","82.08","0.03","86.08","0.03","657.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","molybdenum(V) glycinate","Di-μ-O-μ-2-aminoacetate-bis[(2-aminoacetate-N,O)oxo-molybdenum(V)]","","- C12 H26 Mo4 N6 O20 -","- C6 H13 Mo2 N3 O10 -","- C12 H26 Mo4 N6 O20 -","2","1","BR1289","Liu, Guang; Liu, Jian; Wei, Yong-Ge; Liu, Qun; Zhang, Shi-Wei","μ-Glycine-<i>O</i>:<i>O</i>'-di-μ-oxo-bis[(glycinato-<i>N</i>,<i>O</i>)oxomolybdenum(V)]","Acta Crystallographica Section C","2000","56","7","822","823","10.1107/S0108270100006466","","","0.71069","MoKα","","0.0353","0.0313","","","","0.0864","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011089","7.0373","0.0007","10.0928","0.0011","13.1649","0.0013","103.225","0.008","105.45","0.012","103.76","0.009","831.68","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Aqua(5,6-dimethyl-1,10-phenanthroline)(glycolato)copper(II) nitrate","","- C16 H17 Cu N3 O7 -","- C16 H17 Cu N3 O7 -","- C32 H34 Cu2 N6 O14 -","2","1","DA1111","Medina, Gerardo; Gasque, Laura; Bernès, Sylvain","Aqua(5,6-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')(glycolato-<i>O</i>,<i>O</i>')copper(II) nitrate","Acta Crystallographica Section C","2000","56","7","766","768","10.1107/S0108270100004777","","","0.71073","MoKα","","0.0429","0.0339","","","","0.0919","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011090","7.5865","0.0009","11.8102","0.0014","12.2307","0.0015","78.612","0.003","84.519","0.002","77.17","0.002","1045.9","0.2","293","2","","","","","","","","","","6","P -1","-P 1","2","","Chloro-(1,5-bis(N-1-methylimidazole-2-methyl)-1,5-diazacyclooctane) cobalt(II) perchlorate","","- C16 H26 Cl2 Co N6 O4 -","- C16 H26 Cl2 Co N6 O4 -","- C32 H52 Cl4 Co2 N12 O8 -","2","1","DA1118","Du, Miao; Shang, Zhi-Liang; Xu, Qiang; Zhang, Ruo-Hua; Leng, Xue-Bing; Bu, Xian-He","[1,5-Bis(1-methyl-1<i>H</i>-imidazol-2-ylmethyl-κ<i>N</i>^3^)-1,5-diazacyclooctane-<i>N</i>,<i>N</i>']chlorocobalt(II) perchlorate","Acta Crystallographica Section C","2000","56","7","769","770","10.1107/S0108270100004789","","","0.71073","MoKα","","","0.0643","","","","0.163","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011091","9.44","0.001","9.366","0.001","9.741","0.001","90","","101.69","0.01","90","","843.39","0.16","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","21α-fluoro-7-norvouacapane-17β,21α-lactone","","- C20 H25 F O3 -","- C20 H25 F O3 -","- C40 H50 F2 O6 -","2","1","DA1124","Ruggiero, Silvana Guilardi; Gambardella, Maria Teresa do Prado; Branco, Marcelo Cardoso; Demuner, Antonio Jacinto; Barbosa, Luis Claudio A.; Piló-Veloso, Dorila","21α-Fluoro-7-norvouacapane-17β,21α-lactone","Acta Crystallographica Section C","2000","56","7","868","869","10.1107/S0108270100004790","","","0.71073","MoKα","","0.048","0.035","","","","0.097","","","","","","1.111","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011092","8.0547","0.0011","17.378","0.002","17.919","0.003","90","","90","","90","","2508.2","0.6","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,7-Dihydrodibenz[e,g]azulen-8(5H)-one","","- C18 H14 O -","- C18 H14 O -","- C144 H112 O8 -","8","1","DE1128","Ajees, A. Abdul; Ponnuswamy, M. N.; Parthasarathy, S.; Huq, C. A. M. A.","6,7-Dihydrodibenzo[<i>e</i>,<i>g</i>]azulen-8(5<i>H</i>)-one and 12,13-dihydrobenzo[<i>e</i>]napth[2,1-<i>g</i>]azulen-14(11<i>H</i>)-one","Acta Crystallographica Section C","2000","56","7","824","826","10.1107/S0108270100003954","","","1.54184","CuKα","","0.059","0.036","","","","0.105","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011093","11.8466","0.0012","12.489","0.0015","20.703","0.002","90","","90","","90","","3063.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12,13-Dihydrobenzo[e]napth[2,1-g]azulen-14(11H)-one","","- C22 H16 O -","- C22 H16 O -","- C176 H128 O8 -","8","1","DE1128","Ajees, A. Abdul; Ponnuswamy, M. N.; Parthasarathy, S.; Huq, C. A. M. A.","6,7-Dihydrodibenzo[<i>e</i>,<i>g</i>]azulen-8(5<i>H</i>)-one and 12,13-dihydrobenzo[<i>e</i>]napth[2,1-<i>g</i>]azulen-14(11<i>H</i>)-one","Acta Crystallographica Section C","2000","56","7","824","826","10.1107/S0108270100003954","","","1.54184","CuKα","","0.058","0.037","","","","0.11","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011094","14.7505","0.0009","5.7579","0.0003","24.941","0.002","90","","104.358","0.003","90","","2052.1","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H15 N O -","- C12 H15 N O -","- C96 H120 N8 O8 -","8","1","DE1130","Gerkin, Roger E.","(3<i>R</i>*,4<i>R</i>*)-3-Isopropyl-4-phenylazetidin-2-one at 150K","Acta Crystallographica Section C","2000","56","7","848","849","10.1107/S0108270100005874","","","0.71073","MoKα","","","0.042","","","","0.088","","","","","","1.95","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011095","32.1141","0.0006","10.3464","0.0002","6.579","0.0001","90","","94.679","0.001","90","","2178.69","0.07","291","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","DE1131","Gerkin, Roger E.","4,8-Dimethoxy-1-naphthalenemethanol","Acta Crystallographica Section C","2000","56","7","846","847","10.1107/S0108270100005023","","","0.71073","MoKα","","","0.048","","","","0.126","","","","","","1.98","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011096","14.79","0.014","5.681","0.009","11.187","0.011","90","","90","","90","","940","2","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","2-Aminofluorene","2-Aminofluorene","","- C13 H11 N -","- C13 H11 N -","- C52 H44 N4 -","4","1","DE1132","Steiner, Thomas","N—H···π hydrogen bonding in 2-aminofluorene","Acta Crystallographica Section C","2000","56","7","874","875","10.1107/S0108270100005035","","","0.71073","MoKα","","0.065","0.043","","","","0.128","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011097","7.766","0.002","11.67","0.002","14.385","0.002","90","","90","","90","","1303.7","0.4","153","","153","","","","","","","","","4","P n m a","-P 2ac 2n","62","tetraethylammonium hydroxide tetrahydrate","tetraethylammonium hydroxide-water (1/4)","","- C8 H29 N O5 -","- C8 H29 N O5 -","- C32 H116 N4 O20 -","4","0.5","DE1137","Wiebcke, Michael; Felsche, Jürgen","NEt~4~OH·4H~2~O containing infinite hydroxide‒water ribbons","Acta Crystallographica Section C","2000","56","7","901","902","10.1107/S0108270100005886","","","0.71073","MoKα","","0.1324","0.0473","","","","0.1407","","","","","","0.93","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011098","7.856","0.007","5.963","0.005","14.94","0.011","90","","100.69","0.07","90","","687.7","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","thiosalicylic acid","2-mercaptobenzoic acid","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C28 H24 O8 S4 -","4","1","DE1138","Steiner, Thomas","S—H···S hydrogen-bond chain in thiosalicylic acid","Acta Crystallographica Section C","2000","56","7","876","877","10.1107/S0108270100005898","","","0.71073","MoKα","","0.081","0.0567","","","","0.171","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011099","16.146","0.003","8.66","0.002","19.096","0.004","90","","93.74","0.03","90","","2664.4","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","verticine","cevane-3β,6α,20-triol ethanol hydrate","","- C56 H98 N2 O8 -","- C56 H98 N2 O8 -","- C112 H196 N4 O16 -","2","1","DE1140","Zhang, Jin-Nan; Lin, Ge; Ho, Yee-Ping; Li, Ping; Chow, Albert H. L.","Verticine ethanol hydrate (2/1/1)","Acta Crystallographica Section C","2000","56","7","907","909","10.1107/S010827010000264X","","","0.71073","MoKα","","0.053","0.05","","","","0.12","","","","","","1.124","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011100","7.177","0.002","42.67","0.002","5.09","0.002","90","","90","","90","","1558.8","0.8","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,15-pentadecanediol","","","- C15 H32 O2 -","- C15 H32 O2 -","- C60 H128 O8 -","4","1","DE1141","Nakamura, Naotake; Uno, Kenjiro; Watanabe, Ryoji; Ikeya, Tatsuhiro; Ogawa, Yoshihiro","1,15-Pentadecanediol","Acta Crystallographica Section C","2000","56","7","903","904","10.1107/S0108270100006272","","","1.5418","CuKα","","0.0787","0.0487","","0.0658","","0.0582","","","1.387","","","1.516","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011101","9.483","0.002","11.042","0.002","9.394","0.002","104.14","0.02","101.45","0.02","114.03","0.02","820.4","0.4","298","","298","","","","","","","","","2","P -1","-P 1","2","","3a,9a-trans-9,9a-trans-4,4-dimethyl-9- phenyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indene","","- C21 H24 -","- C21 H24 -","- C42 H48 -","2","1","FG1579","Hashizume, Daisuke; Takashima, Naoki; Oikawa, Takashi; Ishii, Hideki; Niwa, Haruki; Iwasaki, Fujiko","2,3,3a,4,9,9a-Hexahydro-9-phenylbenzo[<i>f</i>]indene derivatives","Acta Crystallographica Section C","2000","56","7","827","829","10.1107/S0108270100004091","","","0.71073","MoKα","","0.077","0.046","","","","0.149","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011102","9.0001","0.0008","19.287","0.002","8.9918","0.0008","96.654","0.008","101.494","0.007","97.908","0.008","1498.4","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","3a,4-trans-3a,9a-cis-9,9a-trans-4-methoxy-9- phenyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indene","","- C20 H22 O -","- C20 H22 O -","- C80 H88 O4 -","4","2","FG1579","Hashizume, Daisuke; Takashima, Naoki; Oikawa, Takashi; Ishii, Hideki; Niwa, Haruki; Iwasaki, Fujiko","2,3,3a,4,9,9a-Hexahydro-9-phenylbenzo[<i>f</i>]indene derivatives","Acta Crystallographica Section C","2000","56","7","827","829","10.1107/S0108270100004091","","","0.71073","MoKα","","0.062","0.042","","","","0.121","","","","","","1.04","","","","has coordinates,has Fobs","192292","2020-10-21","18:00:00",""
"2011103","9.044","0.003","10.665","0.002","17.879","0.005","90","","114.07","0.05","90","","1574.6","1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)}","","- C34 H32 N4 O7 Re2 -","- C34 H32 N4 O7 Re2 -","- C68 H64 N8 O14 Re4 -","2","0.5","FG1587","Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L.","Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)}","Acta Crystallographica Section C","2000","56","7","749","757","10.1107/S0108270100004108","","","0.71073","MoKα","","0.037","0.032","","","","0.077","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011104","12.634","0.003","12.832","0.003","19.406","0.004","90","","90","","90","","3146.1","1.2","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)}","","- C34 H32 N4 O7 Re2 -","- C34 H32 N4 O7 Re2 -","- C136 H128 N16 O28 Re8 -","4","0.5","FG1587","Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L.","Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)}","Acta Crystallographica Section C","2000","56","7","749","757","10.1107/S0108270100004108","","","0.71073","MoKα","","0.054","0.048","","","","0.112","","","","","","1.217","","","","has coordinates,has disorder,has Fobs","200213","2020-10-21","18:00:00",""
"2011105","10.137","0.01","18.733","0.015","16.131","0.011","90","","126.43","0.06","90","","2465","4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)} chloroform solvate (1:4)","","- C38 H36 Cl12 N4 O7 Re2 -","- C38 H36 Cl12 N4 O7 Re2 -","- C76 H72 Cl24 N8 O14 Re4 -","2","0.5","FG1587","Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L.","Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)}","Acta Crystallographica Section C","2000","56","7","749","757","10.1107/S0108270100004108","","","0.71073","MoKα","","0.125","0.068","","","","0.185","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011106","9.0223","0.0012","10.4856","0.0015","10.7375","0.0017","79.75","0.012","89.256","0.011","81.82","0.011","989.4","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)} chloroform solvate (1:2)","","- C36 H34 Cl6 N4 O7 Re2 -","- C36 H34 Cl6 N4 O7 Re2 -","- C36 H34 Cl6 N4 O7 Re2 -","1","0.5","FG1587","Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L.","Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)}","Acta Crystallographica Section C","2000","56","7","749","757","10.1107/S0108270100004108","","","0.71073","MoKα","","0.033","0.028","","","","0.07","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011107","8.9642","0.0016","10.053","0.003","10.669","0.003","91.23","0.02","91.685","0.018","97.913","0.017","951.6","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)} dichloromethane solvate (1:2)","","- C36 H36 Cl4 N4 O7 Re2 -","- C36 H36 Cl4 N4 O7 Re2 -","- C36 H36 Cl4 N4 O7 Re2 -","1","0.5","FG1587","Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L.","Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)}","Acta Crystallographica Section C","2000","56","7","749","757","10.1107/S0108270100004108","","","0.71073","MoKα","","0.051","0.049","","","","0.137","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","200214","2020-10-21","18:00:00",""
"2011108","10.1085","0.0008","11.2053","0.0008","14.0447","0.0007","90","","91.367","0.005","90","","1590.37","0.19","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)} hydrate (1:2)","","- C34 H36 N4 O9 Re2 -","- C34 H36 N4 O9 Re2 -","- C68 H72 N8 O18 Re4 -","2","0.5","FG1587","Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L.","Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)}","Acta Crystallographica Section C","2000","56","7","749","757","10.1107/S0108270100004108","","","0.71073","MoKα","","0.053","0.047","","","","0.101","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011109","9.198","0.004","12.771","0.001","9.88","0.005","90","","113.09","0.02","90","","1067.6","0.7","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","cis(6,13-dimethyl-1,4,8,11-tetraazacyclotetradecan-6,13-diamine)nickel(II) perchlorate","","- C12 H30 Cl2 N6 Ni O8 -","- C12 H30 Cl2 N6 Ni O8 -","- C24 H60 Cl4 N12 Ni2 O16 -","2","1","FG1588","Bernhardt, Paul V.","Ni^II^ and Zn^II^ complexes of the hexadentate macrocyclic ligand <i>cis</i>-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane-6,13-diamine","Acta Crystallographica Section C","2000","56","7","744","746","10.1107/S0108270100003930","","","0.71073","MoKα","","0.046","0.0436","","","","0.1173","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011110","9.075","0.001","12.891","0.001","9.963","0.003","90","","112.438","0.009","90","","1077.3","0.4","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","cis(6,13-dimethyl-1,4,8,11-tetraazacyclotetradecan-6,13-diamine)zinc(II) perchlorate","","- C12 H30 Cl2 N6 O8 Zn -","- C12 H30 Cl2 N6 O8 Zn -","- C24 H60 Cl4 N12 O16 Zn2 -","2","1","FG1588","Bernhardt, Paul V.","Ni^II^ and Zn^II^ complexes of the hexadentate macrocyclic ligand <i>cis</i>-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane-6,13-diamine","Acta Crystallographica Section C","2000","56","7","744","746","10.1107/S0108270100003930","","","0.71073","MoKα","","0.1849","0.0596","","","","0.1745","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011111","9.7364","0.0005","10.2509","0.0005","10.9197","0.0006","106.141","0.0013","111.259","0.0014","107.593","0.002","871.17","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-Bis(thioacetato-S)bis(triphenylphosphine-P)nickel(II)","","- C40 H36 Ni O2 P2 S2 -","- C40 H36 Ni O2 P2 S2 -","- C40 H36 Ni O2 P2 S2 -","1","0.5","FG1594","Deivaraj, Theivanayagam C.; Vittal, Jagadese J.","<i>trans</i>-Bis(thioacetato-<i>S</i>)bis(triphenylphosphine-<i>P</i>)nickel(II)","Acta Crystallographica Section C","2000","56","7","775","776","10.1107/S0108270100004893","","","0.71073","MoKα","","0.062","0.043","","","","0.106","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011112","13.3126","0.0005","14.3251","0.0005","18.9767","0.0007","90","","95.819","0.003","90","","3600.3","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 I N2 P2 -","- C41 H41 I N2 P2 -","- C164 H164 I4 N8 P8 -","4","1","FG1596","Ellis, Dianne D.; Spek, Anthony L.; Imhoff, Pieter; Elsevier, Cornelis J.","{[(<i>N</i>-Methyl-<i>p</i>-toluidino)diphenylphosphoranylidene]methyl}(<i>N</i>-methyl-<i>p</i>-toluidino)diphenylphosphonium iodide","Acta Crystallographica Section C","2000","56","7","836","837","10.1107/S0108270100004170","","","0.71073","MoKα","","0.0851","0.0471","","","","0.1208","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011113","7.5837","0.0004","11.2598","0.0005","12.8491","0.0007","94.403","0.004","103.025","0.004","98.284","0.004","1051","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl4 N O Te -","- C16 H25 Cl4 N O Te -","- C32 H50 Cl8 N2 O2 Te2 -","2","1","FG1599","Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Caracelli, I.","Benzyltriethylammonium 2,2,2,4-tetrachloro-2,5-dihydro-1,2λ^5^-oxatellurole","Acta Crystallographica Section C","2000","56","7","897","898","10.1107/S0108270100005515","","","0.71073","MoKα","","0.025","0.022","","","","0.059","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011114","9.0197","0.0006","17.918","0.002","21.375","0.003","95.641","0.012","97.375","0.011","93.083","0.009","3401.6","0.7","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","tetraallyl (2,2'-bipyridyl)-rac-3,3,7,7-tetramethyl-trans-5-palladatricyclo [4.1.0.0^2,4^]heptane-1,2,4,6-tetracarboxylate","","- C36 H40 N2 O8 Pd -","- C36 H40 N2 O8 Pd -","- C144 H160 N8 O32 Pd4 -","4","2","FG1601","Bats, Jan W.; Rivas Nass, Andreas; Hashmi, A. Stephen K.","Tetraallyl (2,2'-bipyridyl)-<i>rac</i>-3,3,7,7-tetramethyl-<i>trans</i>-5-palladatricyclo[4.1.0.0^2,^^4^]heptane-1,2,4,6-tetracarboxylate above and below the phase-transition temperature of 194K","Acta Crystallographica Section C","2000","56","7","814","817","10.1107/S0108270100006193","","","0.71073","MoKα","","0.079","0.0459","","","","0.1009","","","","","","1.212","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011115","8.9583","0.0008","11.3245","0.0018","17.906","0.003","83.438","0.016","88.482","0.014","72.118","0.016","1717.4","0.5","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","tetraallyl (2,2'-bipyridyl)-rac-3,3,7,7-tetramethyl-trans-5-palladatricyclo [4.1.0.0^2,4^]heptane-1,2,4,6-tetracarboxylate","","- C36 H40 N2 O8 Pd -","- C36 H40 N2 O8 Pd -","- C72 H80 N4 O16 Pd2 -","2","1","FG1601","Bats, Jan W.; Rivas Nass, Andreas; Hashmi, A. Stephen K.","Tetraallyl (2,2'-bipyridyl)-<i>rac</i>-3,3,7,7-tetramethyl-<i>trans</i>-5-palladatricyclo[4.1.0.0^2,^^4^]heptane-1,2,4,6-tetracarboxylate above and below the phase-transition temperature of 194K","Acta Crystallographica Section C","2000","56","7","814","817","10.1107/S0108270100006193","","","0.71073","MoKα","","0.0585","0.0422","","","","0.1009","","","","","","1.306","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011116","8.111","0.003","10.013","0.001","13.277","0.003","101.22","0.01","102.85","0.02","102.01","0.01","994.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Pefloxacinium methanesulfonate 0.10 hydrate","4-(3-Carboxy-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolyl)-1- methylpiperazinium methanesulfonate 0.10 hydrate","","- C18 H24.2 F N3 O6.1 S -","- C18 H24.2 F N3 O6.1 S -","- C36 H48.4 F2 N6 O12.2 S2 -","2","1","FR1263","Parvez, Masood; Arayne, M. Saeed; Sultana, Najma; Siddiqi, Ahsan Zamir","Pefloxacinium methanesulfonate 0.10-hydrate","Acta Crystallographica Section C","2000","56","7","910","912","10.1107/S0108270100004340","","","1.54178","CuKα","","0.047","0.04","","","","0.111","","","","","","1.1","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00",""
"2011117","8.478","0.001","10.406","0.001","21.336","0.001","90","","95.701","0.009","90","","1873","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","enol tautomer of 4-(phenylsulfonyl)-spiro[cyclopentane-1, 9'-[9H]fluorene]-2, 3- dione","","","- C23 H16 O4 S -","- C23 H16 O4 S -","- C92 H64 O16 S4 -","4","1","FR1267","Gerkin, Roger E.","Hydrogen bonds and C—H···O interactions in the enol tautomer of 4-(phenylsulfonyl)spiro[cyclopentane-1,9'-[9<i>H</i>]fluorene]-2,3-dione","Acta Crystallographica Section C","2000","56","7","843","845","10.1107/S0108270100004595","","","0.71073","MoKα","","","0.046","","","","0.083","","","","","","1.44","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011118","25.1353","0.0012","25.1353","0.0012","6.2139","0.0004","90","","90","","90","","3925.8","0.4","180","2","180","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","2,2-Dimethyl-3,4-dihydro-6-hydroxy-(2H)-benzo-(1,2-b)-pyran","","- C11 H14 O2 -","- C11 H14 O2 -","- C176 H224 O32 -","16","1","FR1268","Jha, Amitabh; Malhotra, Sanjay; Parmar, Virinder S.; Errington, William","6-Hydroxy-2,2-dimethyl-3,4-dihydro-2<i>H</i>-benzo[<i>b</i>]pyran","Acta Crystallographica Section C","2000","56","7","899","900","10.1107/S0108270100005813","","","0.71073","MoKα","","0.082","0.047","","","","0.115","","","","","","1.024","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011119","7.5402","0.0006","10.4339","0.0012","10.816","0.0011","113.796","0.008","91.867","0.008","103.108","0.009","750.92","0.14","296","","296","","","","","","","","","4","P -1","-P 1","2","3-Fluoro-2-[1-(1-naphthyl)ethyl]benzoic acid.","","","- C19 H15 F O2 -","- C19 H15 F O2 -","- C38 H30 F2 O4 -","2","1","FR1271","Gerkin, Roger E.","Hydrogen bonding and C—H···<i>X</i> interactions in 3-fluoro-2-[1-(1-naphthyl)ethyl]benzoic acid","Acta Crystallographica Section C","2000","56","7","850","852","10.1107/S0108270100005199","","","0.71073","MoKα","","","0.05","","","","0.067","","","","","","1.7","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011120","44.486","0.005","12.1755","0.0013","16.995","0.002","90","","108.958","0.002","90","","8705.8","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","11,12,24,25-Tetrahydro-28,34-dimethoxy-3,6,16,19,31,37-hexamethyl- 1,21[1',3']:8,14[1"",3""]-dibenzeno-10H,23H-tetrabenzo[f,h,o,z][1,5,10,14]- tetraoxacyclooctadecin]","","- C50 H50 Cl Li O7 -","- C50 H48 Cl Li O7 -","- C400 H384 Cl8 Li8 O56 -","8","1","FR1274","Helgeson, Roger C.; Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Deceased 7 May 1998","The lithium chloride complex of the <i>anti</i> isomer of the bridged spherand C~50~H~48~O~6~","Acta Crystallographica Section C","2000","56","7","795","797","10.1107/S0108270100005722","","","0.71073","MoKα","","","0.074","","","","0.241","","","","","","0.929","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011121","11.3705","0.0002","9.7132","0.0002","19.0382","0.0003","90","","90","","90","","2102.65","0.07","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-(2-methylbenzyl)malonic acid","","","- C11 H12 O4 -","- C11 H12 O4 -","- C88 H96 O32 -","8","1","FR1275","Gerkin, Roger E.","Hydrogen bonds and C—H···O interactions in 2-(2-methylbenzyl)malonic acid at 150K","Acta Crystallographica Section C","2000","56","7","853","854","10.1107/S0108270100006235","","","0.71073","MoKα","","","0.048","","","","0.085","","","","","","1.97","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011122","8.087","0.001","11.354","0.002","6.622","0.002","101.15","0.02","96.64","0.02","102.79","0.01","573.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","0.5C6 H18 N2 2+, As2 H5 O10 Zn2 1-","N,N,N',N'-tetramethylethylenediammonium (arsenate)diaqua(hydrogen arsenate)dizinc(II)","","- C3 H14 As2 N O10 Zn2 -","- C3 H14 As2 N O10 Zn2 -","- C6 H28 As4 N2 O20 Zn4 -","2","1","GD1075","Hajem, Amen Allah; Trojette, Basma; Driss, Ahmed; Jouini, Tahar","Layered zincoarsenate templated by <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylene-diamine molecules","Acta Crystallographica Section C","2000","56","7","793","794","10.1107/S0108270100005370","","","0.71069","MoKα","","0.03","0.027","","","","0.077","","","","","","1.12","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011123","5.2281","0.0007","5.5511","0.0007","12.009","0.001","94.59","0.01","90.36","0.01","94.91","0.01","346.1","0.07","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","Lithium phosphoenolpyruvate monohydrate","","- C3 H6 Li O7 P -","- C3 H6 Li O7 P -","- C6 H12 Li2 O14 P2 -","2","1","GD1096","Zych, Tomasz; Turowska-Tyrk, Ilona; Lis, Tadeusz","Lithium phosphoenolpyruvate monohydrate at 85K","Acta Crystallographica Section C","2000","56","7","818","819","10.1107/S010827010000620X","","","0.71073","MoKα","","0.039","0.026","","0.085","","0.079","","","1.16","","","1.2","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011124","7.8655","0.0002","14.8464","0.0004","16.4602","0.0004","108.059","0.0014","102.035","0.0014","90.0908","0.0014","1782.73","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Bis(1,1-dimethyl-3-oxobutyl)diiodostannane","Diiodobis(4-methylpentan-2-onato-C^4^,O)tin(IV)","","- C12 H22 I2 O2 Sn -","- C12 H22 I2 O2 Sn -","- C48 H88 I8 O8 Sn4 -","4","2","GD1099","Howie, R. Alan; Wardell, James L.","Diiodobis(4-methylpentan-2-onato-<i>C</i>^4^,<i>O</i>)tin(IV): a comparison with diiodobis(3-methoxy-3-oxopropyl-<i>C</i>,<i>O</i>)tin(IV)","Acta Crystallographica Section C","2000","56","7","806","807","10.1107/S0108270100005989","","","0.71073","MoKα","","0.066","0.042","","","","0.1","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011125","7.3994","0.0003","9.9179","0.0004","11.3987","0.0006","83.841","0.002","82.063","0.002","79.433","0.003","811.56","0.06","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","meso-6,13-Diamino-6,13-dimethyl-1,4,8,11- tetraazacyclotetradecane‒2,2'-biphenol (1/2)","","- C36 H50 N6 O4 -","- C36 H50 N6 O4 -","- C36 H50 N6 O4 -","1","0.5","GG1003","Lough, Alan J.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher","Chains of fused rings in the hydrogen-bonded structure of <i>meso</i>-6,13-diamino-6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane‒2,2'-biphenol (1/2)","Acta Crystallographica Section C","2000","56","7","859","861","10.1107/S0108270100005527","","","0.71073","MoKα","","0.063","0.0452","","","","0.1169","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011126","5.4859","0.0002","6.9595","0.0004","12.5211","0.0007","98.6245","0.0017","93.561","0.004","92.174","0.003","471.19","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1,4-bis(4-chlorophenylsulfonyl)-2,5-dimethylbenzene","","- C20 H16 Cl2 O4 S2 -","- C20 H16 Cl2 O4 S2 -","- C20 H16 Cl2 O4 S2 -","1","0.5","GG1006","Wardell, James L; Low, John N; Glidewell, Christopher","Hydrogen-bonded molecular ladders in 1,4-bis(4-chlorophenylsulfonyl)-2,5-dimethylbenzene","Acta Crystallographica Section C","2000","56","7","862","864","10.1107/S0108270100005928","","","0.71073","MoKα","","0.055","0.039","","","","0.104","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011127","20.893","0.003","9.01","0.002","33.399","0.005","90","","91.04","0.01","90","","6286.2","1.9","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-dicyclohexylphosphine-3κP-μ-hydrido- 1:2κ^2^H-μ-phenylthio-1:2κ^2^S-triangulo-triosmium","","- C27 H29 O9 Os3 P S -","- C27 H29 O9 Os3 P S -","- C216 H232 O72 Os24 P8 S8 -","8","1","GS1077","Flörke, Ulrich; Egold, Hans; Schraa, Markus","Hydrido-sulfido-bridged triangular Os~3~ cluster compounds with different phosphine ligand substitution patterns","Acta Crystallographica Section C","2000","56","7","760","762","10.1107/S0108270100004571","","","0.71073","MoKα","","0.103","0.045","","","","0.077","","","","","","0.924","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011128","10.214","0.002","12.997","0.002","14.409","0.001","69.16","0.01","80.58","0.01","76.62","0.01","1732.2","0.5","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","nonacarbonyl-1κ^3^C,2κ^2^C,3κ^4^C-dicyclohexylphosphine-2κP-μ-hydrido- 1:2κ^2^H-μ-(2-naphthylthio)-1:2κ^2^S-triangulo-triosmium","","- C31 H31 O9 Os3 P S -","- C31 H31 O9 Os3 P S -","- C62 H62 O18 Os6 P2 S2 -","2","1","GS1077","Flörke, Ulrich; Egold, Hans; Schraa, Markus","Hydrido-sulfido-bridged triangular Os~3~ cluster compounds with different phosphine ligand substitution patterns","Acta Crystallographica Section C","2000","56","7","760","762","10.1107/S0108270100004571","","","0.71073","MoKα","","0.057","0.04","","","","0.104","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011129","7.8295","0.0006","19.3334","0.0018","8.1244","0.001","90","","116.019","0.008","90","","1105.2","0.2","293","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 N4 Ni O4 -","- C22 H22 N4 Ni O4 -","- C44 H44 N8 Ni2 O8 -","2","0.5","GS1082","Zukerman-Schpector, J.; Trindade, Antonio Carlos; Dunstan, P. O.","Adducts of nickel(II) acetylacetonate chelating with heterocyclic bases: 3-cyanopyridine and 4-cyanopyridine","Acta Crystallographica Section C","2000","56","7","763","765","10.1107/S0108270100004662","","","0.71073","MoKα","","0.201","0.045","","","","0.115","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011130","6.2795","0.0006","9.912","0.001","10.392","0.001","64.96","0.01","86.441","0.008","73.333","0.009","560.1","0.11","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N4 Ni O4 -","- C22 H22 N4 Ni O4 -","- C22 H22 N4 Ni O4 -","1","0.5","GS1082","Zukerman-Schpector, J.; Trindade, Antonio Carlos; Dunstan, P. O.","Adducts of nickel(II) acetylacetonate chelating with heterocyclic bases: 3-cyanopyridine and 4-cyanopyridine","Acta Crystallographica Section C","2000","56","7","763","765","10.1107/S0108270100004662","","","0.71073","MoKα","","0.076","0.035","","","","0.084","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011131","18.4434","0.0014","6.859","0.0005","11.5334","0.0009","90","","107.488","0.002","90","","1391.58","0.18","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-diacetylanthracene","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","GS1083","Jones, Simon; .; Atherton, J. C. Christian; Elsegood, Mark R. J.; Clegg, William","Dimethyl 9,10-anthracenedicarboxylate: a centrosymmetric <i>transoid</i> molecule","Acta Crystallographica Section C","2000","56","7","881","883","10.1107/S0108270100004972","","","0.71073","MoKα","","0.0452","0.0375","","","","0.1047","","","","","","1.064","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011132","8.845","0.002","9.931","0.002","27.325","0.005","90","","90","","90","","2400.2","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl {1-[2,3-O-isopropylidene-5-O-(4-nitrobenzoyl)-α-D- ribofuranosyl]-4-methoxycarbonyl-1,2,3-triazol-5-yl} acetate","","- C22 H24 N4 O11 -","- C22 H24 N4 O11 -","- C88 H96 N16 O44 -","4","1","JZ1388","Leban, Ivan; Štimac, Anton; Kobe, Jože; Giester, Gerald","Methyl {1-[2,3-<i>O</i>-isopropylidene-5-<i>O</i>-(4-nitrobenzoyl)-α-<small>D</small>-ribofuranosyl]-4-methoxycarbonyl-1<i>H</i>-1,2,3-triazol-5-yl}acetate","Acta Crystallographica Section C","2000","56","7","890","891","10.1107/S0108270100005394","","","0.71073","MoKα","","0.0557","0.0491","","","","0.1221","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011133","17.635","0.005","8.418","0.002","22.591","0.005","90","","100.5","0.03","90","","3297.5","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3R*,3'R*)-1,1'-Dimethyl-3,3'-biindoline-2,2'-dithione","","- C18 H16 N2 S2 -","- C18 H16 N2 S2 -","- C144 H128 N16 S16 -","8","1","JZ1394","Baumeister, Ute; Hartung, Helmut; Spitzner, Roland; Felicetti, Michael; Schroth, Werner","(3<i>R</i>*,3'<i>R</i>*)-1,1'-Dimethyl-3,3'-biindoline-2,2'-dithione","Acta Crystallographica Section C","2000","56","7","830","831","10.1107/S0108270100004194","","","0.71073","MoKα","","0.1","0.042","","","","0.106","","","","","","0.991","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011134","11.543","0.002","13.996","0.005","9.918","0.0007","90","","90","","90","","1602.3","0.6","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","bis[iodo(1-methyl-1,3-imidazolium-2-thiolato-S)]mercury(II)","","- C8 H12 Hg I2 N4 S2 -","- C8 H12 Hg I2 N4 S2 -","- C32 H48 Hg4 I8 N16 S8 -","4","1","JZ1398","Pavlović, Gordana; Popović, Zora; Soldin, Željka; Matković-Čalogović, Dubravka","Diiodobis(1-methyl-1,3-imidazolium-2-thiolato-<i>S</i>)mercury(II)","Acta Crystallographica Section C","2000","56","7","801","803","10.1107/S0108270100005825","","","0.71073","MoKα","","0.064","0.043","","","","0.116","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011135","9.168","0.002","15.111","0.003","13.962","0.003","90","","101.98","0.02","90","","1892.1","0.7","304","2","304","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(1,3-Benzimidazol-2-io)-6-(1,3-benzimidazol-2-yl)pyridine perchlorate monohydrate","","- C19 H16 Cl N5 O5 -","- C19 H16 Cl N5 O5 -","- C76 H64 Cl4 N20 O20 -","4","1","LN1095","Boča, Miroslav; Valigura, Dušan; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","2-[6-(1<i>H</i>-Benzimidazol-2-yl)-2-pyridyl]-1<i>H</i>-benzimidazol-3-ium perchlorate monohydrate","Acta Crystallographica Section C","2000","56","7","838","839","10.1107/S0108270100004376","","","0.71093","MoKα","","0.063","0.041","","","","0.125","","","","","","1.023","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011136","9.8389","0.0003","11.2975","0.0005","14.234","0.0005","90","","100.988","0.002","90","","1553.17","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Cu N8 -","- C16 H8 Cu N8 -","- C64 H32 Cu4 N32 -","4","1","LN1104","Wang, Zhe-Ming; Luo, Jun; Sun, Bai-Wang; Yan, Chun-Hua; Gao, Song; Liao, Chun-Sheng","<i>catena</i>-Poly[[dicyanamido(1,10-phenanthroline)copper(II)]-μ-dicyanamido]","Acta Crystallographica Section C","2000","56","7","786","788","10.1107/S0108270100004984","","","0.71073","MoKα","","0.0773","0.0439","","","","0.1203","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011137","9.192","0.002","10.726","0.004","10.904","0.002","61.3","0.03","70.01","0.02","87.69","0.03","876.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 N12 O8 Zn2 -","- C28 H40 N12 O8 Zn2 -","- C28 H40 N12 O8 Zn2 -","1","0.5","NA1444","Tomić, Zoran D.; Jaćimović, Željko K.; Leovac, Vukadin M.; Češljević, Valeria I.","Transition metal complexes with pyrazole-derived ligands. XI. [Zn(μ-<i>L</i>)(H<i>L</i>)(OAc)]~2~ (H<i>L</i> is 4-acetyl-3-amino-5-methylpyrazole)","Acta Crystallographica Section C","2000","56","7","777","779","10.1107/S0108270100004881","","","0.71073","MoKα","","0.062","0.042","","0.104","","0.098","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011138","18.17","0.004","10.53","0.003","6.972","0.002","90","","90","","90","","1334","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Lena-3h","","","- C11 H13 N5 O5 -","- C11 H13 N5 O5 -","- C44 H52 N20 O20 -","4","1","NA1458","Taycher, Hellena; Shteiman, Vitaly; Botoshansky, Mark; Kaftory, Menahem","3,5-Dimethyl-6-(4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (II), 3,5-dimethyl-6-(<i>N</i>-methyl-4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (III), and 1,3,5-trimethyl-6-(4-nitrophenylimino)-1,3,5-triazinane-2,4-dione, (IV)","Acta Crystallographica Section C","2000","56","7","832","835","10.1107/S0108270100004303","","","0.71069","MoKα","","0.0676","0.0487","","","","0.1297","","","","","","1.194","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011139","11.333","0.0012","16.025","0.0014","7.162","0.0007","90","","95.587","0.005","90","","1294.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lena-3b","","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C48 H52 N20 O16 -","4","1","NA1458","Taycher, Hellena; Shteiman, Vitaly; Botoshansky, Mark; Kaftory, Menahem","3,5-Dimethyl-6-(4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (II), 3,5-dimethyl-6-(<i>N</i>-methyl-4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (III), and 1,3,5-trimethyl-6-(4-nitrophenylimino)-1,3,5-triazinane-2,4-dione, (IV)","Acta Crystallographica Section C","2000","56","7","832","835","10.1107/S0108270100004303","","","0.7107","MoKα","","0.1106","0.0482","","","","0.1406","","","","","","0.734","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011140","8.253","0.006","8.493","0.003","10.084","0.002","78.79","","88.52","","74.95","","669.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Lenaa3","2-(4'-nitrophenylimino)-1,3,5-trimethyl-1,3,5-triazine-4,6,-dione","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C24 H26 N10 O8 -","2","1","NA1458","Taycher, Hellena; Shteiman, Vitaly; Botoshansky, Mark; Kaftory, Menahem","3,5-Dimethyl-6-(4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (II), 3,5-dimethyl-6-(<i>N</i>-methyl-4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (III), and 1,3,5-trimethyl-6-(4-nitrophenylimino)-1,3,5-triazinane-2,4-dione, (IV)","Acta Crystallographica Section C","2000","56","7","832","835","10.1107/S0108270100004303","","","0.71093","MoKα","","0.0644","0.0484","","","","0.1442","","","","","","0.907","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011141","11.127","0.0006","9.195","0.0009","13.094","0.0011","90","","101.264","0.005","90","","1313.88","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lenac3","2-(4'-nitrophenylimino)-1,3,5-trimethyl-1,3,5-triazine-4,6,-dione","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C48 H52 N20 O16 -","4","1","NA1458","Taycher, Hellena; Shteiman, Vitaly; Botoshansky, Mark; Kaftory, Menahem","3,5-Dimethyl-6-(4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (II), 3,5-dimethyl-6-(<i>N</i>-methyl-4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (III), and 1,3,5-trimethyl-6-(4-nitrophenylimino)-1,3,5-triazinane-2,4-dione, (IV)","Acta Crystallographica Section C","2000","56","7","832","835","10.1107/S0108270100004303","","","0.7107","MoKα","","0.0747","0.0502","","","","0.1423","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011142","20.3597","0.0007","9.94","0.0003","12.0064","0.0004","90","","112.336","0.001","90","","2247.5","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-aminopyridine-N)zinc dibenzoate","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C96 H88 N16 O16 Zn4 -","4","0.5","NA1461","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zhao, Pu-Su; Jian, Fang-Fang; Lu, Lu-De; Yang, Xu-Jie; Wang, Xin","Bis(2-aminopyridine-<i>N</i>)bis(benzoato-<i>O</i>)zinc","Acta Crystallographica Section C","2000","56","7","742","743","10.1107/S0108270100003462","","","0.71073","MoKα","","0.087","0.061","","","","0.111","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011143","5.9217","0.0008","15.3265","0.0015","15.9824","0.0014","90","","95.188","0.01","90","","1444.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Phenyl-3,5-bis(2-pyridyl)-4H-1,2,4-triazole","","- C18 H13 N5 -","- C18 H13 N5 -","- C72 H52 N20 -","4","1","NA1465","Zhu, Dun-Ru; Xu, Yan; Zhang, Yong; Wang, Tian-Wei; You, Xiao-Zeng","4-Phenyl-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","2000","56","7","895","896","10.1107/S0108270100005473","","","0.71073","MoKα","","0.071","0.042","","","","0.109","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011144","11.225","0.003","10.951","0.001","8.43","0.002","90","","103.5","0.01","90","","1007.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,3,3-tetramethyl guanidinium phosphate","","- C5 H16 N3 O4 P -","- C5 H16 N3 O4 P -","- C20 H64 N12 O16 P4 -","4","1","NA1466","Criado, A.; Diánez, M.J.; Pérez-Garrido, S.; Fernandes, I. M. L.; Belsley, M.; de Matos Gomes, E.","1,1,3,3-Tetramethylguanidinium dihydrogenorthophosphate","Acta Crystallographica Section C","2000","56","7","888","889","10.1107/S0108270100005187","","","0.71069","MoKα","","0.0403","0.0338","","0.1052","0.1012","","","","1.08","1.121","1.121","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011145","7.146","0.002","19.751","0.004","7.408","0.001","90","","106.12","0.02","90","","1004.5","0.4","294","2","294","2","","","","","","","","4","I 1 a 1","I -2ya","9","","7-Chloro-3,6-dimethyl-1H-indene-2-carbaldehyde","","- C12 H11 Cl O -","- C12 H11 Cl O -","- C48 H44 Cl4 O4 -","4","1","NA1467","Pani, Marcella; Mugnoli, Angelo; Sottofattori, Enzo","7-Chloro-3,6-dimethyl-1<i>H</i>-indene-2-carbaldehyde","Acta Crystallographica Section C","2000","56","7","840","842","10.1107/S010827010000442X","","","0.7107","MoKα","","0.0407","0.0382","","","","0.0951","","","","","","1.071","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011146","8.641","0.003","11.6","0.003","8.046","0.001","92.11","","103.77","0.03","92.06","","782","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tri-aqua(zinc(II) 1,10-phenanthroline sulfate), hydrate","","- C12 H16 N2 O8 S Zn -","- C12 H16 N2 O8 S Zn -","- C24 H32 N4 O16 S2 Zn2 -","2","1","NA1468","Harvey, Miguel; Baggio, Sergio; Mombrú, Alvaro; Baggio, Ricardo; Tri-aqua(zinc(II) 1,10-phenanthroline sulfate), hydrate","Three new Zn^II^ sulfate complexes","Acta Crystallographica Section C","2000","56","7","771","774","10.1107/S0108270100004753","","","0.71073","MoKα","","0.034","0.032","","","","0.09","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011147","8.8044","0.0015","10.4281","0.0013","8.7719","0.0012","103.738","0.012","99.385","0.014","113.357","0.011","687.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(zinc(II) 2,9-dimethyl-1,10-phenanthroline sulfate)","","- C28 H24 N4 O8 S2 Zn2 -","- C28 H24 N4 O8 S2 Zn2 -","- C28 H24 N4 O8 S2 Zn2 -","1","0.5","NA1468","Harvey, Miguel; Baggio, Sergio; Mombrú, Alvaro; Baggio, Ricardo; Bis(zinc(II) 2,9-dimethyl-1,10-phenanthroline sulfate)","Three new Zn^II^ sulfate complexes","Acta Crystallographica Section C","2000","56","7","771","774","10.1107/S0108270100004753","","","0.7107","MoKα","","0.035","0.033","","","","0.096","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011148","15.421","0.003","12.701","0.003","6.694","0.001","90","","102.13","0.03","90","","1281.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-aqua(zinc(II) bipyridil sulfate)","","- C10 H12 N2 O6 S Zn -","- C10 H12 N2 O6 S Zn -","- C40 H48 N8 O24 S4 Zn4 -","4","0.5","NA1468","Harvey, Miguel; Baggio, Sergio; Mombrú, Alvaro; Baggio, Ricardo","Three new Zn^II^ sulfate complexes","Acta Crystallographica Section C","2000","56","7","771","774","10.1107/S0108270100004753","","","0.71073","MoKα","","0.056","0.029","","","","0.085","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011149","19.7025","0.0009","7.766","0.002","16.7929","0.0006","90","","90","","90","","2569.5","0.7","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","triethylammonium cis-tetrachlorodi(4-ethylpyridine)molybdenum(III)","","- C20 H34 Cl4 Mo N3 -","- C20 H34 Cl4 Mo N3 -","- C80 H136 Cl16 Mo4 N12 -","4","1","NA1469","Modec, Barbara; Brenčič, Jurij V.; Golič, Ljubo","A 4-ethylpyridine complex of tetrachloromolybdenum(III) and its oxidation product","Acta Crystallographica Section C","2000","56","7","780","782","10.1107/S0108270100004911","","","0.71073","MoKα","","0.047","0.029","","","","0.059","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011150","16.1077","0.0008","7.6691","0.0004","7.1566","0.0004","90","","98.012","0.004","90","","875.44","0.08","293","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","trans-tetrachlorodi(4-ethylpyridine)molybdenum(IV)","","- C14 H18 Cl4 Mo N2 -","- C14 H18 Cl4 Mo N2 -","- C28 H36 Cl8 Mo2 N4 -","2","0.25","NA1469","Modec, Barbara; Brenčič, Jurij V.; Golič, Ljubo","A 4-ethylpyridine complex of tetrachloromolybdenum(III) and its oxidation product","Acta Crystallographica Section C","2000","56","7","780","782","10.1107/S0108270100004911","","","0.71073","MoKα","","0.029","0.017","","","","0.028","","","1.317","","","1.005","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011151","10.878","0.002","11.598","0.003","17.077","0.002","73.19","0.02","81.944","0.019","66.91","0.02","1896.3","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H108 O6 Sn4 -","- C80 H108 O6 Sn4 -","- C80 H108 O6 Sn4 -","1","0.5","NA1470","Reuter, Hans; Pawlak, Rüdiger","Hydrolysis products of diorganotin dihalides. I. Bis[1,3-dihydroxo-1,1,3,3-tetrakis(2-methyl-2-phenylpropyl)distannoxane]","Acta Crystallographica Section C","2000","56","7","804","805","10.1107/S0108270100006016","","","0.71073","MoKα","","0.039","0.028","","","","0.072","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011152","8.1698","0.0004","14.3745","0.0007","14.9238","0.0008","90","","99.649","0.001","90","","1727.81","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Dichloro(5,8-dioxa-2,11-dithia[12]-o-cyclophane)palladium(II)","","- C14 H20 Cl2 O2 Pd S2 -","- C14 H20 Cl2 O2 Pd S2 -","- C56 H80 Cl8 O8 Pd4 S8 -","4","1","OA1097","Yoon, Il; Yoo, Byeong Soon; Lee, Shim Sung; Kim, Bong Gon","<i>cis</i>-Dichloro(5,8-dioxa-2,11-dithia[12]-<i>o</i>-cyclophane)palladium(II)","Acta Crystallographica Section C","2000","56","7","758","759","10.1107/S0108270100004364","","","0.71073","MoKα","","0.0353","0.0317","","","","0.0817","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011153","21.004","0.005","13.061","0.003","14.441","0.004","90","","98.266","0.011","90","","3920.5","1.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole","","- C23 H19 N3 O4 -","- C23 H19 N3 O4 -","- C184 H152 N24 O32 -","8","2","OA1099","Inouye, Yoshinobu; Sakaino, Yoshiko","Red, orange and yellow crystals of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","2000","56","7","884","887","10.1107/S0108270100005205","","","0.71073","MoKα","","0.346","0.0864","","0.3798","","0.2213","","","0.92","","","1.067","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011154","15.331","0.003","18.419","0.003","8.8318","0.0014","90","","97.401","0.008","90","","2473.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole t-butanol solvate","","- C27 H29 N3 O5 -","- C27 H29 N3 O5 -","- C108 H116 N12 O20 -","4","1","OA1099","Inouye, Yoshinobu; Sakaino, Yoshiko","Red, orange and yellow crystals of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","2000","56","7","884","887","10.1107/S0108270100005205","","","0.71073","MoKα","","0.1886","0.064","","0.3018","","0.1928","","","0.893","","","0.869","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011155","9.51","0.002","13.236","0.004","9.168","0.002","104.651","0.013","92.624","0.015","85.83","0.02","1113.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole 0.5-dioxane solvate","","- C25 H23 N3 O5 -","- C25 H23 N3 O5 -","- C50 H46 N6 O10 -","2","1","OA1099","Inouye, Yoshinobu; Sakaino, Yoshiko","Red, orange and yellow crystals of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","2000","56","7","884","887","10.1107/S0108270100005205","","","0.71073","MoKα","","0.1035","0.0535","","0.1688","","0.1386","","","1.002","","","1.061","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011156","9.614","0.002","29.011","0.005","8.984","0.002","90","","91.933","0.01","90","","2504.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole benzene solvate","","- C29 H25 N3 O4 -","- C29 H25 N3 O4 -","- C116 H100 N12 O16 -","4","1","OA1099","Inouye, Yoshinobu; Sakaino, Yoshiko","Red, orange and yellow crystals of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","2000","56","7","884","887","10.1107/S0108270100005205","","","0.71073","MoKα","","0.1735","0.0638","","0.3171","","0.1907","","","0.88","","","0.941","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011157","7.1543","0.0007","9.9408","0.0011","12.946","0.001","90","","90","","90","","920.71","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","K2 Ti Si3 O9, H2O","dipotassium titanium trisilicate hydrate","","- H2 K2 O10 Si3 Ti -","- H2 K2 O10 Si3 Ti -","- H8 K8 O40 Si12 Ti4 -","4","1","OS1103","Zou, Xiaodong; Dadachov, Mike S.","K~2~TiSi~3~O~9~·H~2~O","Acta Crystallographica Section C","2000","56","7","738","739","10.1107/S010827010000545X","","","0.71073","MoKα","","0.036","0.029","","","","0.068","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011158","9.2007","0.0009","12.2973","0.0017","30.421","0.003","90","","93.26","0.012","90","","3436.4","0.7","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl2 O6 P2 Pd -","- C36 H30 Cl2 O6 P2 Pd -","- C144 H120 Cl8 O24 P8 Pd4 -","4","1","QA0303","Sabounchei, S. J.; Naghipour, A.; Bickley, Jamie F.","<i>cis</i>-Dichlorobis(triphenyphosphite-<i>P</i>)palladium(II)","Acta Crystallographica Section C","2000","56","7","e280","e280","10.1107/S0108270100007642","","","0.71073","MoKα","","0.082","0.044","","","","0.107","","","","","","0.861","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011159","19.0603","0.0005","16.596","0.0004","15.4192","0.0003","90","","90","","90","","4877.5","0.2","100","1","100","1","","","","","","","","7","A b a 2","A 2 -2ab","41","","Bis(acetonitrile-N)(o-benzoquinone diimine-N,N')-trans-bis(triphenyl- phosphine-P)ruthenium(II) hexafluorophosphate methanol solvate","","- C47 H46 F12 N4 O P4 Ru -","- C47 H46 F12 N4 O P4 Ru -","- C188 H184 F48 N16 O4 P16 Ru4 -","4","","QA0305","Venegas-Yazigi, Diego; Mirza, Hameed; Lever, A. B. P.; Lough, Alan J.; Costamagna, Juan; Latorre, Ramón","Bis(acetonitrile-<i>N</i>)(<i>o</i>-benzoquinone diimine-<i>N</i>,<i>N</i>')-<i>trans</i>-bis(triphenylphosphine-<i>P</i>)ruthenium(II) bis(hexafluorophosphate) methanol solvate","Acta Crystallographica Section C","2000","56","7","e281","e282","10.1107/S0108270100007654","","","0.71073","MoKα","","0.033","0.027","","","","0.073","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011160","13.8864","0.0002","18.4943","0.0007","6.9664","0.0009","90","","90","","90","","1789.1","0.2","100","1","100","1","","","","","","","","5","P c c a","-P 2a 2ac","54","","N-glicyl-2-hydroxibenzaldiminate potasium salt","","- C9 H8 K N O3 -","- C9 H8 K N O3 -","- C72 H64 K8 N8 O24 -","8","1","QA0306","Paredes-García, Verónica; Venegas-Yazigi, Diego; Lough, Alan J.; Latorre, Ramón","Potassium <i>N</i>-(6-oxocyclohexa-1,3-dien-5-ylidenemethyl)glycinate","Acta Crystallographica Section C","2000","56","7","e283","e283","10.1107/S0108270100007666","","","0.71073","MoKα","","0.049","0.034","","","","0.091","","","","","","1.051","","","","has coordinates,has Fobs","194580","2020-10-21","18:00:00",""
"2011161","8.9944","0.0009","16.257","0.002","10.519","0.001","90","0.009","103.08","0.01","90","0.009","1498.2","0.3","293","","293","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","2,2'-bi(9,9-dipropylfluorene)","","- C38 H42 -","- C38 H42 -","- C76 H84 -","2","0.5","QA0308","Suchod, Bernadette; Stéphan, Olivier; Kervella, Yann","2,2'-Bi(9,9-di-<i>n</i>-propylfluorene)","Acta Crystallographica Section C","2000","56","7","e297","e297","10.1107/S010827010000768X","","","0.71073","MoKα","","0.087","0.076","","0.047","","0.045","","","1.127","","","1.183","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011162","7.582","0.001","19.19","0.003","8.143","0.001","90","","109.95","0.01","90","","1113.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Phthalimido-3-iodo propane","","- C11 H10 I N O2 -","- C11 H10 I N O2 -","- C44 H40 I4 N4 O8 -","4","1","QA0309","Chandramohan, Kattamuri; Ravikumar, Krishnan; Rajendar, Shenigarapu","<i>N</i>-(3-Iodopropyl)phthalimide","Acta Crystallographica Section C","2000","56","7","e298","e299","10.1107/S0108270100007691","","","0.71073","MoKα","","0.048","0.036","","0.099","","0.092","","","1.139","","","1.183","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011163","13.4315","0.0001","10.3779","0.0002","10.256","0.0002","90","","106.216","0.001","90","","1372.72","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(6-Bromo-4-oxo-3,4-dihydropteridin-2-yl)-2,2-dimethylpropanamide","","- C11 H12 Br N5 O2 -","- C11 H12 Br N5 O2 -","- C44 H48 Br4 N20 O8 -","4","1","QA0311","Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Goswami, Shyamaprosad; Mukherjee, Reshmi; Adak, Avijit","<i>N</i>-(6-Bromo-4-oxo-3,4-dihydropteridin-2-yl)-2,2-dimethylpropanamide","Acta Crystallographica Section C","2000","56","7","e302","e303","10.1107/S0108270100007861","","","0.71073","MoKα","","0.096","0.054","","","","0.128","","","","","","0.935","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011164","7.537","0.004","13.602","0.008","12.779","0.005","90","","94.57","0.02","90","","1305.9","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Dimethoxymethyl-1-methoxycarbonylbicyclo[3.1.0]hex-2-ene-2-carboxylic acid","","- C12 H16 O6 -","- C12 H16 O6 -","- C48 H64 O24 -","4","1","QA0312","Niwayama, Satomi; Holt, Elizabeth M.","6-Dimethoxymethyl-1-methoxycarbonylbicyclo[3.1.0]hex-2-ene-2-carboxylic acid","Acta Crystallographica Section C","2000","56","7","e300","e301","10.1107/S0108270100007757","","","0.71073","MoKα","","0.095","0.067","","","","0.233","","","","","","0.992","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011165","12.2892","0.0004","13.1612","0.0005","19.3696","0.0007","95.512","0.001","103.177","0.001","116.801","0.001","2650.47","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","N,N-bis(2-hydroxyethyl)dithiocarbamatobis(triphenylphosphine) Copper(I) Triphenylphosphine","","- C59 H55 Cu N O2 P3 S2 -","- C59 H55 Cu N O2 P3 S2 -","- C118 H110 Cu2 N2 O4 P6 S4 -","2","1","QA0313","Jian, Fangfang; Bei, Fengli; Lu, Lude; Yang, Xujie; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","[<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)dithiocarbamato-<i>S</i>]bis(triphenylphosphine-<i>P</i>)copper(I) triphenylphosphine solvate","Acta Crystallographica Section C","2000","56","7","e288","e289","10.1107/S0108270100007873","","","0.71073","MoKα","","0.128","0.057","","","","0.139","","","","","","0.86","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011166","20.709","0.004","9.968","0.002","23.66","0.005","90","","101.04","0.03","90","","4793.7","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tetrakis(ethylenediammonium) tetra-μ-hydrogenphosphato-di-μ-hydroxo- tetra-μ-phosphato-bis(aquacobalt)hexakis(oxovanadium) trihydrate","","- C8 H56 Co N8 O45 P8 V6 -","- C8 H40 Co N8 O45 P8 V6 -","- C32 H160 Co4 N32 O180 P32 V24 -","4","0.5","QA0314","Luan, Guo-You; Wang, En-Bo; You, Wan-Sheng; Xu, Lin; He, Qin-Lin","A hydrated ethylenediammonium salt of a new polymeric polyoxoanion: (H~2~en)~4~[Co(H~2~O)~2~(OH)~2~(VO)~6~(HPO~4~)~4~(PO~4~)~4~]·3H~2~O","Acta Crystallographica Section C","2000","56","7","e284","e285","10.1107/S0108270100007769","","","0.71073","MoKα","","0.054","0.046","","0.137","0.134","","","","1.123","1.211","1.211","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011167","7.842","0.002","11.458","0.003","8.824","0.002","90","","114.26","0.03","90","","722.9","0.4","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,4,6,2',4',6'-Hexamethyl-4H,4'H[4,4']bipyranyl","","- C16 H22 O2 -","- C16 H22 O2 -","- C32 H44 O4 -","2","0.5","QA0317","Ziemer, Burkhard; Grubert, Lutz","2,2',4,4',6,6'-Hexamethyl-4,4'-bi[4<i>H</i>-pyranyl]","Acta Crystallographica Section C","2000","56","7","e304","e304","10.1107/S0108270100007885","","","0.71073","MoKα","","0.054","0.044","","","","0.119","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011168","16.015","0.003","10.219","0.003","24.275","0.005","90","","93.94","0.03","90","","3963.4","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-diethylamido-N:N-bis[chlorodimethyltin(IV)]","","- C12 H32 Cl2 N2 Sn2 -","- C12 H32 Cl2 N2 Sn2 -","- C96 H256 Cl16 N16 Sn16 -","8","1","QA0318","Barreca, Davide; Benetollo, Franco; Garon, Simona; Tondello, Eugenio; Zanella, Pierino","The chloro(diethylamino)dimethyltin dimer","Acta Crystallographica Section C","2000","56","7","e290","e291","10.1107/S0108270100007897","","","0.71073","MoKα","","0.056","0.056","","","","0.14","","","","","","1.209","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011169","8.4691","0.0009","10.3985","0.0008","12.4538","0.0015","90","","90","","90","","1096.8","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,4bS,8aR)-(1,2,3,4b,5,6,7,8,8a,9a-Decahydro-4,9a-diazafluoren-1-yl)methanol","","- C12 H20 N2 O -","- C12 H20 N2 O -","- C48 H80 N8 O4 -","4","1","QA0321","Kooijman, Huub; Spek, Anthony L.","(1<i>R</i>,4b<i>S</i>,8a<i>R</i>)-(1,2,3,4b,5,6,7,8,8a,9a-Decahydro-4,9a-diazafluoren-1-yl)methanol","Acta Crystallographica Section C","2000","56","7","e295","e296","10.1107/S0108270100007678","","","0.71073","MoKα","","0.089","0.05","","","","0.104","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011170","13.3847","0.0001","18.2966","0.0003","8.978","0.0001","90","","105.296","0.001","90","","2120.78","0.05","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium) 2,4-dichlorophenoxyacetate","","- C20 H29 Cl2 N O3 -","- C20 H29 Cl2 N O3 -","- C80 H116 Cl8 N4 O12 -","4","1","QA0322","Subramanian, Ramis Rao; Anandan, Shanmuga S.; Kwek, Kuan Hiang; Low, Kum Sang; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hanna, John V.; Ng, Seik Weng","Dicyclohexylammonium 2,4-dichlorophenoxyacetate and (2,4-dichlorophenoxyacetato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I)","Acta Crystallographica Section C","2000","56","7","e292","e294","10.1107/S0108270100007903","","","0.71073","MoKα","","0.09","0.063","","","","0.198","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011171","13.45","0.0002","25.8202","0.0004","11.7071","0.0002","90","","96.79","0.001","90","","4037.15","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(triphenylphosphine)(2,4-dichlorophenoxyacetato)silver(I)","","- C44 H35 Ag Cl2 O3 P2 -","- C44 H35 Ag Cl2 O3 P2 -","- C176 H140 Ag4 Cl8 O12 P8 -","4","1","QA0322","Subramanian, Ramis Rao; Anandan, Shanmuga S.; Kwek, Kuan Hiang; Low, Kum Sang; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hanna, John V.; Ng, Seik Weng","Dicyclohexylammonium 2,4-dichlorophenoxyacetate and (2,4-dichlorophenoxyacetato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I)","Acta Crystallographica Section C","2000","56","7","e292","e294","10.1107/S0108270100007903","","","0.71073","MoKα","","0.057","0.042","","","","0.11","","","","","","0.972","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011172","10.455","0.002","12.41","0.002","10.592","0.002","90","","115.077","0.01","90","","1244.7","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","phenylmethyl 5-(6,8-diaza-6-(2-diethoxyphosphono) acetyl)-7-oxo-3-thiabicyclo [3.3.0] oct-2-yl) pentanoate","","- C23 H33 N2 O7 P S -","- C23 H33 N2 O7 P S -","- C46 H66 N4 O14 P2 S2 -","2","1","QA0325","Amspacher, David R.; Blanchard, Carol Z.; Saraiva, Marcelo C.; Waldrop, Grover L.; Strongin, Robert M.; Fronczek, Frank R.","Benzyl 5-{2-[2-(diethoxyphosphinoyl)acetyl]-3-oxo-7-thia-2,4-diazabicyclo[3.3.0]oct-6-yl}pentanoate, a novel biotin derivative","Acta Crystallographica Section C","2000","56","7","e305","e306","10.1107/S0108270100007915","","","0.71073","Mo-Kα","","0.057","0.04","","","","0.101","","","","","","1.12","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011173","13.824","0.005","13.824","0.005","13.824","0.005","90","","90","","90","","2641.8","1.7","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","tetramethylammonium hexamolybdate hydrate","","- C8 H26 Mo6 N2 O20 -","- C8 H25.98 Mo6 N2 O20 -","- C32 H103.92 Mo24 N8 O80 -","4","0.0208333","QB0194","Strukan, Neven; Cindrić, Marina; Devčić, Maja; Giester, Gerald; Kamenar, Boris","Bis(tetramethylammonium) hexamolybdate hydrate, [(CH~3~)~4~N]~2~[Mo~6~O~19~]·H~2~O","Acta Crystallographica Section C","2000","56","7","e278","e279","10.1107/S0108270100007630","","","0.71069","MoKα","","0.031","0.025","","","","0.064","","","","","","1.194","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011174","10.642","0.003","11.719","0.002","10.977","0.003","90","","108.04","0.02","90","","1301.7","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1a,2a-Epoxy-24(R)-acyloxycholesta-4,6-dien-3-one hydrate","","- C29 H44 O5 -","- C29 H44 O5 -","- C58 H88 O10 -","2","1","QB0203","Rajalakshmi, K.; Pattabhi, Vasantha; Venkatesan, C. S.; Nadamuni, G.; Srikrishna, A.","24(<i>R</i>)-Acetyloxy-1α,2α-epoxycholesta-4,6-dien-3-one hydrate","Acta Crystallographica Section C","2000","56","7","e307","e308","10.1107/S0108270100007927","","","1.5418","CuKα","","0.072","0.056","","","","0.162","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011175","10.005","0.005","16.449","0.005","8.186","0.005","90","0.2","105.8","0.2","90","0.2","1296.3","1.7","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","QB0205","Thinapong, Pongchan; Rangsiman, Orapin; Tuchinda, Patoomratana; Munyoo, Bamroong; Pohmakotr, Manat; Reutrakul, Vichai","9,10-Dimethoxy-4-methyl-1,2-dihydro-1-azaanthracen-2-one (kalasinamide), a new azaanthracene alkaloid","Acta Crystallographica Section C","2000","56","7","e309","e310","10.1107/S0108270100008064","","","0.7093","MoKα","","0.068","0.053","","","","0.163","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011176","11.226","0.002","17.836","0.002","12.932","0.002","90","","111.32","0.01","90","","2412.1","0.7","296","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[methylenebis(diphenylphosphine)-P,P']nickel(II) diperchlorate","","- C50 H44 Cl2 Ni O8 P4 -","- C50 H44 Cl2 Ni O8 P4 -","- C100 H88 Cl4 Ni2 O16 P8 -","2","0.5","QB0214","Li, Yi-Zhi; Liu, Jia-Cheng; Wang, Zhi-Ping; Li, Qin-Xi; Sun, Gang-Chun; Wang, Liu-Fang; Xia, Chun-Gu","Bis[methylenebis(diphenylphosphine)-<i>P</i>,<i>P</i>']nickel(II) diperchlorate","Acta Crystallographica Section C","2000","56","7","e286","e287","10.1107/S0108270100007824","","","0.71069","MoKα","","","0.033","","","","0.044","","","","","","1.22","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011177","14.067","0.001","10.1759","0.0007","15.755","0.001","90","","90","","90","","2255.2","0.3","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","catena-poly[[bis(2,2'-bipyridyl-1κ^2^N,N')-μ-cyano-1:2κ^2^N:C-dicyano- 2κ^2^C-dinickel(II)]-μ-cyano-C:N]","","- C24 H16 N8 Ni2 -","- C24 H16 N8 Ni2 -","- C96 H64 N32 Ni8 -","4","0.5","SK1357","Juraj Černák; Abboud, Khalil A.","Ni(bipy)~2~Ni(CN)~4~, a new type of one-dimensional square tetracyano complex","Acta Crystallographica Section C","2000","56","7","783","785","10.1107/S0108270100004996","","","0.71073","MoKα","","0.09","0.046","","","","0.142","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011178","16.4027","0.0006","8.76805","0.00019","19.5576","0.0004","90","","90","","90","","2812.77","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H17 La O10 -","- C10 H17 La O10 -","- C80 H136 La8 O80 -","8","1","SK1364","Benmerad, Belkacem; Guehria-Laidoudi, Achoura; Balegroune, Fadila; Birkedal, Henrik; Chapuis, Gervais","Polymeric aqua(glutarato)(hydrogen glutarato)lanthanum(III) monohydrate","Acta Crystallographica Section C","2000","56","7","789","792","10.1107/S010827010000500X","","","0.71073","MoKα","","0.0326","0.028","","","","0.0494","","","","","","1.188","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011179","4.8297","0.0002","7.9967","0.0005","11.0644","0.0006","89.022","0.003","80.294","0.003","78.5","0.003","412.69","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Ethane-1,2-diphosphonic acid‒4,4'-bipyridyl‒water (1/1/2)","","- C12 H20 N2 O8 P2 -","- C12 H20 N2 O8 P2 -","- C12 H20 N2 O8 P2 -","1","0.5","SK1384","Glidewell, Christopher; Ferguson, George; Lough, Alan J.","A structural hierarchy in the hydrogen-bonded adduct ethane-1,2-diphosphonic acid‒4,4'-bipyridyl‒water (1/1/2): an <i>N</i>-component <i>N</i>-dimensional structure (<i>N</i> = 3) with substructures having <i>N</i> = 1 and 2","Acta Crystallographica Section C","2000","56","7","855","858","10.1107/S0108270100004650","","","0.71073","MoKα","","0.064","0.0457","","","","0.1249","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011180","13.114","0.001","12.7121","0.0019","20.959","0.003","90","","105.594","0.007","90","","3365.4","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Trans-1,2-bis(2-nitroanilino)cyclohexane","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C144 H160 N32 O32 -","8","2","SK1388","Ward, Mark F.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Hydrogen-bonded molecular ladders in <i>trans</i>-1,2-bis(2-nitroanilino)cyclohexane","Acta Crystallographica Section C","2000","56","7","865","867","10.1107/S0108270100006260","","","0.71073","MoKα","","0.2831","0.0668","","","","0.1403","","","","","","0.862","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011181","7.139","0.002","26.763","0.002","6.815","0.002","90","","90","","90","","1302.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl Fe O5 -","- C11 H11 Cl Fe O5 -","- C44 H44 Cl4 Fe4 O20 -","4","1","SX1099","Russi, Silvia; Suescun, Leopoldo; Mombrú, Alvaro; Pardo, Helena; Mariezcurrena, Raúl A.; Cavalli, Gabriel; Seoane, Gustavo","(<i>S</i>)-Tricarbonyl[(1,2,3,4-η)-(5<i>R</i>,6<i>S</i>)-1-chloro-5,6-dimethoxycyclohexa-1,3-diene]iron(0)","Acta Crystallographica Section C","2000","56","7","820","821","10.1107/S0108270100006399","","","0.7107","MoKα","","0.048","0.044","","","","0.119","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011182","11.686","0.012","11.671","0.006","16.667","0.018","90","","120.8","0.04","90","","1953","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","octasodium hexatungstomanganate(IV) octadecahydrate","","- H36 Mn Na8 O42 W6 -","- Mn Na8 O42 W6 -","- Mn2 Na16 O84 W12 -","2","0.5","TA1280","Nolan, Annette L.; Burns, Robert C.; Lawrance, Geoffrey A.; Craig, Donald C.","Octasodium hexatungstomanganate(IV) octadecahydrate","Acta Crystallographica Section C","2000","56","7","729","730","10.1107/S010827010000408X","","","0.71069","MoKα","","0.047","0.038","","0.123","","0.12","","","","","","0.963","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011183","9.837","0.0008","12.382","0.0009","12.1515","0.0009","90","","97.212","0.002","90","","1468.36","0.19","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tetrakis[1,1,2,2(η^5^)-methylcyclopentadienyl]di-μ-isopropxy- 1:2κ^2^O-diyttrium(III)(Y-Y)","","- C30 H42 O2 Y2 -","- C30 H42 O2 Y2 -","- C60 H84 O4 Y4 -","2","0.5","TA1289","Li, Huanrong; Yao, Yingming; Shen, Qi; Weng, Linhong","Di-μ-isopropoxy-bis[bis(η^5^-methylcyclopentadienyl)yttrium(III)]","Acta Crystallographica Section C","2000","56","7","747","748","10.1107/S0108270100004133","","","0.71073","MoKα","","0.044","0.036","","","","0.099","","","","","","1.086","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011184","10.867","0.003","24.284","0.004","5.427","0.002","90","","90","","90","","1432.2","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,6-diphenyl-thiopyran-4-one","","- C17 H16 O S -","- C17 H16 O S -","- C68 H64 O4 S4 -","4","0.5","VJ1103","T. Narasimhamurthy; R.V. Krishnakumar; J.C.N.Benny; K.Pandiarajan; M.A.Viswamitra","2,6-Diphenylthiapyran-4-one","Acta Crystallographica Section C","2000","56","7","870","871","10.1107/S0108270100004765","","","1.5418","CuKα","","0.0473","0.0429","","","","0.1225","","","","","","1.167","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011185","14.9965","0.0007","4.217","0.0003","26.022","0.001","90","","90","","90","","1645.64","0.15","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","7-aza-IAA","7-azaindole-3-acetic acid","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C72 H64 N16 O16 -","8","2","AV1034","Antolić, Snježana; Kojić-Prodić, Biserka; Magnus, Volker","1<i>H</i>-Pyrrolo[2,3-<i>b</i>]pyridine-3-acetic acid as a molecular probe for use in auxin physiology","Acta Crystallographica Section C","2000","56","8","1026","1027","10.1107/S0108270100007101","","","1.54184","CuKα","","0.106","0.041","","","","0.104","","","","","","0.908","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011186","6.6305","0.0004","9.2888","0.0003","10.9828","0.0006","90","","104.837","0.005","90","","653.87","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Nitro-1,2,4-triazolyl-1-nitromethane","3-Nitro-1-nitromethyl-1H-1,2,4-triazole","","- C3 H3 N5 O4 -","- C3 H3 N5 O4 -","- C12 H12 N20 O16 -","4","1","AV1037","Vasiliev, Alexander D.; Astachov, Alexander M.; Golubtsova, Oksana A.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","3-Nitro-1-nitromethyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","2000","56","8","999","1000","10.1107/S010827010000665X","","","1.54051","CuKα","","0.038","0.032","","","","0.087","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011187","7.5608","0.0002","9.0632","0.0002","12.7245","0.0003","69.481","0.001","82.764","0.001","76.229","0.002","792.29","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","3-(3-aminophthalimido)phthalic acid dihydrate","","","- C16 H14 N2 O8 -","- C16 H14 N2 O8 -","- C32 H28 N4 O16 -","2","1","BK1528","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in 3-(3-aminophthalimido)phthalic acid dihydrate","Acta Crystallographica Section C","2000","56","8","1021","1023","10.1107/S0108270100007083","","","0.71073","MoKα","","","0.049","","","","0.125","","","","","","1.98","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011188","9.138","0.001","10.793","0.002","8.249","0.001","90.76","0.01","94.26","0.01","65.75","0.01","739.6","0.19","210","2","210","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H10 F6 -","- C18 H10 F6 -","- C36 H20 F12 -","2","1","BK1534","Swenson, Dale C.; Gao, Xiaobang; Burton, Donald J.","(1<i>E</i>,3<i>E</i>,5<i>E</i>)-1,2,3,4,5,6-Hexafluoro-1,6-diphenylhexatriene","Acta Crystallographica Section C","2000","56","8","1040","1041","10.1107/S0108270100007502","","","0.71073","MoKα","","0.0802","0.0393","","","","0.1219","","","","","","1.045","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011189","15.7883","0.0008","3.9239","0.0002","22.6063","0.0011","90","","105.767","0.001","90","","1347.8","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-[(E,2E)-3-(4-methoxyphenyl)-2-propenylidene]-3-nitroaniline","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","BM1393","Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark","A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases","Acta Crystallographica Section C","2000","56","8","971","975","10.1107/S0108270100002845","","","0.71073","MoKα","","0.0777","0.0543","","0.1412","","0.1263","","","0.89","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011190","10.413","0.002","7.599","0.0015","36.01","0.007","90","","90","","90","","2849.4","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-[(E,2E)-3-(4-methoxyphenyl)-2-propenylidene]-4-nitroaniline","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C128 H112 N16 O24 -","8","1","BM1393","Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark","A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases","Acta Crystallographica Section C","2000","56","8","971","975","10.1107/S0108270100002845","","","0.71073","MoKα","","0.1622","0.0502","","0.2785","","0.1063","","","1.015","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011191","6.791","0.0014","10.204","0.002","12.185","0.002","113.2","0.03","98.97","0.03","95.53","0.03","754.9","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","N-{(E,2E)-3-[4-(dimethylamino)phenyl]-2-propenylidene}-3-nitroaniline","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C34 H34 N6 O4 -","2","1","BM1393","Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark","A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases","Acta Crystallographica Section C","2000","56","8","971","975","10.1107/S0108270100002845","","","0.71073","MoKα","","0.1367","0.0401","","0.1961","","0.0936","","","0.987","","","1.135","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011192","6.165","0.0012","7.273","0.0015","17.158","0.003","90.7","0.03","100.1","0.03","91.37","0.03","757.1","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","N-{(E,2E)-3-[4-(dimethylamino)phenyl]-2-propenylidene}-4-nitroaniline","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C34 H34 N6 O4 -","2","1","BM1393","Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark","A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases","Acta Crystallographica Section C","2000","56","8","971","975","10.1107/S0108270100002845","","","0.71073","MoKα","","0.2117","0.0621","","0.2208","","0.1069","","","0.988","","","1.224","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011193","8.438","0.002","9.609","0.002","10.546","0.002","72.95","0.03","86.13","0.03","89.81","0.03","815.5","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","N-{(E,2E)-3-[4-(dimethylamino)phenyl]-2-propenylidene}-2-methyl- -4-nitroaniline","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C36 H38 N6 O4 -","2","1","BM1393","Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark","A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases","Acta Crystallographica Section C","2000","56","8","971","975","10.1107/S0108270100002845","","","0.71073","MoKα","","0.182","0.0802","","0.3166","","0.2005","","","1.011","","","1.143","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011194","7.349","0.0015","9.252","0.0019","12.523","0.003","108.01","0.03","93.48","0.03","94.4","0.03","804.2","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","molecular complex of 4-methoxycinnamaldehyde with 2,4-dinitroaniline","","- C16 H15 N3 O6 -","- C16 H15 N3 O6 -","- C32 H30 N6 O12 -","2","1","BM1394","Nesterov, Vladimir N.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.; Clark, Ronald D.","A combinatorial chemistry approach to new materials for nonlinear optics. II. 4,4-Dimethylaminocinnamaldehyde and a molecular complex of 4-methoxycinnamaldehyde with 2,4-dinitroaniline","Acta Crystallographica Section C","2000","56","8","976","978","10.1107/S0108270100006351","","","0.71073","MoKα","","0.088","0.047","","","","0.156","","","","","","1.023","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2011195","10.04","0.006","7.733","0.003","25.62","0.013","90","","90","","90","","1989.1","1.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4-dimethylaminocinnamaldehyde","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","1","BM1394","Nesterov, Vladimir N.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.; Clark, Ronald D.","A combinatorial chemistry approach to new materials for nonlinear optics. II. 4,4-Dimethylaminocinnamaldehyde and a molecular complex of 4-methoxycinnamaldehyde with 2,4-dinitroaniline","Acta Crystallographica Section C","2000","56","8","976","978","10.1107/S0108270100006351","","","0.71073","MoKα","","0.173","0.123","","","","0.257","","","","","","1.141","","","","has coordinates,has Fobs","277836","2022-09-14","17:02:02",""
"2011196","9.9534","0.001","10.53","0.003","13.837","0.002","90","0.02","110.942","0.01","90","0.02","1354.4","0.5","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(24R)-cycloartane-24,25-diol-3-one","","- C30 H50 O3 -","- C30 H50 O3 -","- C60 H100 O6 -","2","1","BM1401","Bhattacharyya, Kinkini; Kar, Tanusree; Palmer, Rex A.; Potter, Brian S.; Inada, Akira","(24<i>R</i>)-24,25-Dihydroxycycloartan-3-one","Acta Crystallographica Section C","2000","56","8","979","980","10.1107/S0108270100004820","","","1.5418","CuKα","","0.0409","0.0399","","","","0.1136","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011197","6.8157","0.0008","8.3508","0.001","14.725","0.002","90","","100.119","0.01","90","","825.06","0.18","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(diethanolamine)bis(isothiocyanato)nickel(II)","Bis(2,2-́iminodiethanol)bis(isothiocyanato)nickel(II)","","- C10 H22 N4 Ni O4 S2 -","- C10 H22 N4 Ni O4 S2 -","- C20 H44 N8 Ni2 O8 S4 -","2","0.5","BM1413","Yilmaz, Veysel T.; Karadağ, Ahmet; Thöne, Carsten; Herbst-Irmer, Regine","<i>trans</i>-Bis(diethanolamine)bis(isothiocyanato)nickel(II)","Acta Crystallographica Section C","2000","56","8","948","949","10.1107/S0108270100007289","","","0.71073","MoKα","","0.0628","0.0335","","","","0.0711","","","","","","0.929","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011199","12.613","0.002","18.855","0.003","11.3048","0.0019","90.467","0.018","100.365","0.015","87.202","0.013","2641.5","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis-(2,10-phenanthroline-N,N')-(thiosulfato-O,S)-nickel(II) hydrate, methanol solvate","","- C25.4 H23.44 N4 Ni O5.32 S2 -","- C25.403 H16 N4 Ni O5.3225 S2 -","- C101.612 H64 N16 Ni4 O21.29 S8 -","4","2","DA1130","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mariezcurrena, Raúl","Bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiosulfato-<i>O</i>,<i>S</i>)nickel(II)‒water‒methanol (1/0.92/1.4) and bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiosulfato-<i>O</i>,<i>S</i>)nickel(II)‒water‒methanol (1/2/0.55)","Acta Crystallographica Section C","2000","56","8","926","929","10.1107/S0108270100006880","","","0.7107","MoKα","","0.09","0.042","","","","0.164","","","","","","0.954","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011200","20.754","0.004","20.895","0.004","14.402","0.003","90","","132.919","0.012","90","","4573.7","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis-(2,2'-bipyridyl-N,N')-(thiosulfato-O,S)-nickel(II), hydrate, methanol solvate","","- C20.55 H22.2 N4 Ni O5.55 S2 -","- C20.548 H22.192 N4 Ni O5.548 S2 -","- C164.384 H177.536 N32 Ni8 O44.384 S16 -","8","1","DA1130","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mariezcurrena, Raúl","Bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiosulfato-<i>O</i>,<i>S</i>)nickel(II)‒water‒methanol (1/0.92/1.4) and bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiosulfato-<i>O</i>,<i>S</i>)nickel(II)‒water‒methanol (1/2/0.55)","Acta Crystallographica Section C","2000","56","8","926","929","10.1107/S0108270100006880","","","0.71073","MoKα","","0.142","0.064","","","","0.183","","","","","","0.971","","","","has coordinates,has Fobs","206183","2020-10-21","18:00:00",""
"2011201","8.114","0.002","22.474","0.004","16.642","0.003","90","","96.08","0.02","90","","3017.7","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-bromo-bis[bromo(di-2-pyridylmethanediol-N,O,N')cadmium(II)] trihydrate","","- C22 H26 Br4 Cd2 N4 O7 -","- C22 H26 Br4 Cd2 N4 O7 -","- C88 H104 Br16 Cd8 N16 O28 -","4","0.5","DA1134","Zhu, Huai-Gang; Yang, Guang; Chen, Xiao-Ming","Di-μ-bromo-bis[bromo(di-2-pyridylmethanediol-<i>N</i>,<i>O</i>,<i>N</i>')cadmium(II)] trihydrate","Acta Crystallographica Section C","2000","56","8","969","970","10.1107/S010827010000754X","","","0.71073","MoKα","","0.067","0.04","","","","0.08","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011202","8.483","0.002","15.994","0.003","10.988","0.002","90","","104.5","0.03","90","","1443.3","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triphenylmethanol - triphenylphosphinoxide","","- C37 H31 O2 P -","- C37 H30.98 O2 P -","- C74 H61.96 O4 P2 -","2","0.5","DE1126","Steiner, Thomas","Triphenylmethanol‒triphenylphosphine oxide (1/1)","Acta Crystallographica Section C","2000","56","8","1033","1034","10.1107/S0108270100007423","","","0.71073","MoKα","","0.1162","0.0686","","","","0.1604","","","","","","1.19","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011203","7.577","0.002","8.03","0.002","13.464","0.003","76.6","0.03","89.17","0.03","82.6","0.03","790.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(μ~2~-hexamethylenetetramine)bis(aquadi(μ~2~-bromo)- cadmium)diaquadibromocadmium dihydrate","","- C12 H36 Br6 Cd3 N8 O6 -","- C12 H36 Br6 Cd3 N8 O6 -","- C12 H36 Br6 Cd3 N8 O6 -","1","0.5","DE1139","Tong, Ming-Liang; Zheng, Shao-Liang; Chen, Xiao-Ming","Bis(μ-hexamethylenetetramine)bis(aquadibromocadmium)diaquadibromocadmium dihydrate","Acta Crystallographica Section C","2000","56","8","960","962","10.1107/S0108270100007435","","","0.71073","MoKα","","0.0703","0.0433","","","","0.1037","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011204","12.1918","0.0006","6.5318","0.0003","22.0382","0.0008","90","","93.985","0.003","90","","1750.76","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ranitidine","N-(2-{[5-(Dimethylaminomethyl)-2-furanyl]methylthio}ethyl)-N' -methyl-2-nitro-1,1-ethanediamine hydrochloride","","- C13 H23 Cl N4 O3 S -","- C13 H23 Cl N4 O3 S -","- C52 H92 Cl4 N16 O12 S4 -","4","1","FG1581","Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur","Ranitidine hydrochloride, a polymorphic crystal form","Acta Crystallographica Section C","2000","56","8","1048","1049","10.1107/S010827010000785X","","","0.71073","MoKα","","0.0785","0.0416","","","","0.1304","","","","","","0.802","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011205","6.4268","0.0003","14.342","0.0012","10.7559","0.0006","90","","90.618","0.004","90","","991.35","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(4-Hydroxyphenyl)iminomethyl]thiophene","","- C11 H9 N O S -","- C11 H9 N O S -","- C44 H36 N4 O4 S4 -","4","1","FR1266","Kazak, Canan; Aygün, Muhittin; Turgut, Günseli; Odabaşoĝlu, Mustafa; Özbey, Süheyla; Büyükgüngör, Orhan","2-[(4-Hydroxyphenyl)iminomethyl]thiophene","Acta Crystallographica Section C","2000","56","8","1044","1045","10.1107/S0108270100007770","","","1.5418","CuKα","","0.048","0.046","","","","0.125","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011206","9.647","0.006","12.675","0.006","16.359","0.005","90","","93.77","0.04","90","","1996","1.7","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","clemizoledichlorocobalt(II)","Dichloro[1-(p-chlorophenylmethyl)-2-(1-pyrrolidinylmethyl)benzimidazole- N,N'']Cobalt(II)","","- C19 H20 Cl3 Co N3 -","- C19 H20 Cl3 Co N3 -","- C76 H80 Cl12 Co4 N12 -","4","1","FR1273","Parvez, Masood; Braitenbach, Kristin","Clemizoledichlorocobalt(II)","Acta Crystallographica Section C","2000","56","8","919","920","10.1107/S0108270100005710","","","0.71069","MoKα","","0.188","0.043","","","","0.136","","","","","","0.979","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011207","8.9719","0.0002","10.7632","0.0002","10.8399","0.0002","92.9965","0.001","90.1788","0.001","113.367","0.0009","959.28","0.03","193","","193","","","","","","","","","3","P -1","-P 1","2","diethyl 5, 6, 5',6'-tetramethylbiphenyl-2, 2'-dicarboxylate #","","","- C22 H26 O4 -","- C22 H26 O4 -","- C44 H52 O8 -","2","1","FR1277","Gerkin, Roger E.","C—H···O interactions in diethyl 5,5',6,6'-tetramethylbiphenyl-2,2'-dicarboxylate at 193K","Acta Crystallographica Section C","2000","56","8","1024","1025","10.1107/S0108270100007022","","","0.71073","MoKα","","","0.05","","","","0.125","","","","","","1.94","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011208","6.1716","0.0009","11.7924","0.0014","13.2197","0.0014","97.731","0.01","97.109","0.012","97.353","0.012","935.7","0.2","173","","173","2","","","","","","","","3","P -1","-P 1","2","2,4-bis(α,α-dimethylbenzyl)phenol","","","- C24 H26 O -","- C24 H26 O -","- C48 H52 O2 -","2","1","FR1283","Bryan, Jeffrey C.","2,4-Bis(α,α-dimethylbenzyl)phenol","Acta Crystallographica Section C","2000","56","8","1046","1047","10.1107/S0108270100007782","","","0.71073","MoKα","","0.055","0.04","","","","0.11","","","","","","1.07","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011209","7.451","0.003","19.709","0.006","18.587","0.008","90","","90","","90","","2729.5","1.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","3,6,9,16,19,22-hexaazatricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26,27, 29-hexaene pentahydrate","","- C24 H48 N6 O5 -","- C24 H48 N6 O5 -","- C96 H192 N24 O20 -","4","0.5","GD1091","He, Wei-jiang; Ye, Zi-feng; Xu, Yan; Guo, Zi-jian; Zhu, Long-Gen","3,6,9,16,19,22-Hexaazatricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26(1),27,29-hexaene pentahydrate","Acta Crystallographica Section C","2000","56","8","1019","1020","10.1107/S0108270100007095","","","0.71073","MoKα","","0.0879","0.0638","","","","0.1966","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","203508","2020-10-21","18:00:00",""
"2011210","12.525","0.002","12.736","0.002","10.033","0.002","94.64","0.01","102.51","0.01","109.32","0.01","1454.1","0.5","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H84 Cu3 N2 O12 -","- C50 H84 Cu3 N2 O12 -","- C50 H84 Cu3 N2 O12 -","1","0.5","GD1098","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","<i>catena</i>-Poly[[tetrakis(μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>')dicopper(II)]-μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>'-[bis(2,6-dimethylpyridine-<i>N</i>)copper(II)]-μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>'] and tetrakis(μ-2,2-dimethylpropanoato-<i>O</i>:<i>O</i>')bis[(2,6-dimethylpyridine-<i>N</i>)copper(II)]","Acta Crystallographica Section C","2000","56","8","923","925","10.1107/S0108270100006697","","","0.71073","MoKα","","","0.045","","","","0.115","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011211","10.986","0.004","11.195","0.005","9.564","0.004","107.66","0.04","97.15","0.04","61.82","0.03","987.7","0.8","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H54 Cu2 N2 O8 -","- C34 H54 Cu2 N2 O8 -","- C34 H54 Cu2 N2 O8 -","1","0.5","GD1098","Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Matsushima, Hideaki; Tokii, Tadashi","<i>catena</i>-Poly[[tetrakis(μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>')dicopper(II)]-μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>'-[bis(2,6-dimethylpyridine-<i>N</i>)copper(II)]-μ-3,3-dimethylbutyrato-<i>O</i>:<i>O</i>'] and tetrakis(μ-2,2-dimethylpropanoato-<i>O</i>:<i>O</i>')bis[(2,6-dimethylpyridine-<i>N</i>)copper(II)]","Acta Crystallographica Section C","2000","56","8","923","925","10.1107/S0108270100006697","","","0.71073","MoKα","","","0.048","","","","0.152","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011212","15.59","0.002","10.889","0.002","11.87","0.001","90","","95.982","0.01","90","","2004.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 Cl2 N4 Sn -","- C17 H24 Cl2 N4 Sn -","- C68 H96 Cl8 N16 Sn4 -","4","0.5","GG1001","Casas, José S.; García-Martínez, Emilia; García-Tasende, Soledad; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.; Vidarte, María José","Dichlorobis(3,5-dimethylpyrazole-<i>N</i>^2^)methylphenyltin(IV)","Acta Crystallographica Section C","2000","56","8","932","933","10.1107/S0108270100007058","","","0.71073","MoKα","","0.0516","0.0273","","","","0.0626","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011213","22.736","0.005","30.654","0.006","8.799","0.002","90","","90","","90","","6132","2","150","2","","","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C49 H60 As4 Cl F12 N4 O5 P2 Re Ru -","- C49 H60 As4 Cl F12 N4 O5 P2 Re Ru -","- C196 H240 As16 Cl4 F48 N16 O20 P8 Re4 Ru4 -","4","1","GG1004","Coe, Benjamin J.; McDonald, Christopher I.; Coles, Simon J.; Hursthouse, Michael B.","<i>fac</i>,<i>trans</i>-[(2,2'-Bipyridine-<i>N</i>,<i>N</i>')tricarbonylrhenium(I)]-μ-(4,4'-bipyridine)-<i>N</i>:<i>N</i>'-{chlorobis[1,2-phenylenebis(dimethylarsine)]ruthenium(II)} bis(hexafluorophosphate) diacetone solvate","Acta Crystallographica Section C","2000","56","8","963","965","10.1107/S0108270100008076","","","0.71073","MoKα","","","0.0514","","","","0.1147","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","198632","2020-10-21","18:00:00",""
"2011214","12.983","0.001","11.435","0.001","17.028","0.002","90","","95.35","0.02","90","","2517","0.4","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 O2 P -","- C30 H27 O2 P -","- C120 H108 O8 P4 -","4","1","GS1084","Muthuraman, Meiyappan; Nicoud, Jean-François; Masse, René; Desiraju, Gautam R.","Benzyltriphenylphosphonium glutaconaldehyde","Acta Crystallographica Section C","2000","56","8","986","988","10.1107/S0108270100005862","","","0.5608","AgKα","","0.054","0.054","","0.051","","0.051","","","1.996","","","2","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011215","5.386","0.0005","11.47","0.002","27.539","0.003","90","","90","","90","","1701.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Piv-Proψ[CH2-NH-O]Gly-NH^i^Pr","(S)-N-(tert-butylcarbonyl)-2-[[O-(N-isopropylacetamidyl)] -hydroxylaminomethylene]-pyrrolidine","","- C15 H29 N3 O3 -","- C15 H29 N3 O3 -","- C60 H116 N12 O12 -","4","1","GS1085","Corbier, Catherine; Didierjean, Claude; Thévenet, Laurent; Vanderesse, Regis; Marraud, Michel","Piv-Proψ[CH~2~‒NH‒O]Gly‒NH^<i>i^</i>Pr","Acta Crystallographica Section C","2000","56","8","995","996","10.1107/S0108270100006478","","","1.5406","CuKα","","0.059","0.0541","","","","0.1573","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011216","16.024","0.003","17.073","0.003","16.067","0.003","90","","106.75","0.03","90","","4209.1","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H66 N2 O4 -","- C47 H66 N2 O4 -","- C188 H264 N8 O16 -","4","1","GS1087","Leverd, Pascal C.; Weber, Dirk; Habicher, Wolf D.; Nierlich, Martine","Inclusion of HNEt~3~^+^ in an acyclic tetraphenolate","Acta Crystallographica Section C","2000","56","8","997","998","10.1107/S0108270100006582","","","0.71073","MoKα","","0.0906","0.0508","","","","0.123","","","","","","0.997","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011217","21.387","0.005","7.9328","0.001","15.184","0.003","90","","90.657","0.01","90","","2575.9","0.9","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Cerous sodium nitrate monohydrate","disodium cerium pentanitrate monohydrate","","- Ce N5 Na2 O16 -","- Ce N5 Na2 O16 -","- Ce8 N40 Na16 O128 -","8","2","GS1089","Audebrand, Nathalie; Louër, Daniel","Cerous sodium nitrate monohydrate, Na~2~Ce(NO~3~)~5~·H~2~O","Acta Crystallographica Section C","2000","56","8","913","915","10.1107/S0108270100006211","","","0.71073","MoKα","","0.088","0.026","","","","0.062","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011218","14.345","0.001","5.6905","0.0007","18.714","0.001","90","","96.064","0.009","90","","1519.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","YC-1","1-Benzyl-3-(5'-hydroxymethyl-2-furyl)indazole","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","GS1090","Sopková-de Oliveira Santos, Jana; Collot, Valérie; Bureau, Isabelle; Rault, Sylvain","YC-1, an activation inductor of soluble guanylyl cyclase","Acta Crystallographica Section C","2000","56","8","1035","1036","10.1107/S0108270100007393","","","0.71073","MoKα","","0.0683","0.0448","","","","0.1395","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011219","11.0434","0.0005","11.0028","0.0003","12.746","0.0006","90","0.001","90","0.001","90","0.001","1548.75","0.11","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","GS1091","Kassem, Tarek; Rolland, Valérie; Martinez, Jean; Rolland, Marc","Two key chiral intermediates in a new 4-hydroxyisoleucine synthesis","Acta Crystallographica Section C","2000","56","8","1037","1039","10.1107/S010827010000740X","","","0.71073","MoKα","","","0.041","","","","0.058","","","","","","1.319","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011220","8.261","0.0003","12.5168","0.0005","14.9291","0.0003","90","0.001","90","0.001","90","0.001","1543.69","0.09","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","GS1091","Kassem, Tarek; Rolland, Valérie; Martinez, Jean; Rolland, Marc","Two key chiral intermediates in a new 4-hydroxyisoleucine synthesis","Acta Crystallographica Section C","2000","56","8","1037","1039","10.1107/S010827010000740X","","","0.71073","MoKα","","","0.039","","","","0.06","","","","","","1.309","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011221","14.453","0.003","10.3993","0.0013","25.371","0.002","90","","94.366","0.001","90","","3802.2","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 Cl Cu N2 O2 -","- C22 H17 Cl Cu N2 O2 -","- C176 H136 Cl8 Cu8 N16 O16 -","8","1","GS1092","Elerman, Yalc̨ın; Kara, Hülya; Özcan, Sabahat; Kendi̇, Engin","(Benzoylacetonato)chloro(1,10-phenanthroline)copper(II)","Acta Crystallographica Section C","2000","56","8","950","951","10.1107/S0108270100007411","","","1.5418","CuKα","","0.0565","0.0526","","","","0.1574","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011222","18.5099","0.0002","15.0831","0.0002","18.5766","0.0002","90","","90.5023","0.0006","90","","5186.14","0.1","110","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C110 H126 N6 O24 Ru -","- C110 H126 N6 O24 Ru -","- C220 H252 N12 O48 Ru2 -","2","1","GS1094","Galardon, Erwan; Lukas, Michael; Le Maux, Paul; Toupet, Loïc; Roisnel, Thierry; Simonneaux, Gerard","Bis[(<i>R</i>)-1-phenylethyl isocyanido](5,10,15,20-tetrakis{2,6-bis[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-ylmethyloxy]phenyl}porphyrin)ruthenium(II) at 110K","Acta Crystallographica Section C","2000","56","8","955","956","10.1107/S0108270100007952","","","0.71069","MoKα","","0.049","0.039","","","","0.103","","","","","","1.025","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011223","7.152","0.002","8.806","0.003","14.004","0.004","90","","95.6","0.02","90","","877.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triaqua(oxalato-O,O')oxovanadium(IV) dihydrate","","- C2 H10 O10 V -","- C2 H10 O10 V -","- C8 H40 O40 V4 -","4","1","JZ1392","Belaj, Ferdinand; Basch, Angelika; Udo Muster","Triaqua(oxalato-<i>O</i>,<i>O</i>')oxovanadium(IV) dihydrate","Acta Crystallographica Section C","2000","56","8","921","922","10.1107/S0108270100006491","","","0.71069","MoKα","","0.036","0.031","","","","0.081","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011224","7.0662","0.0016","22.083","0.003","40.141","0.005","90","","90","","90","","6263.7","1.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3β-acetoxy-12-oxo-18β-olean-28-oate","","- C33 H52 O5 -","- C33 H52 O5 -","- C264 H416 O40 -","8","2","JZ1393","Gzella, Andrzej","Triterpenoide. XX. 3β-Acetoxy-12-oxo-18β-olean- und 3β-Acetoxy-12,19-dioxo-9(11),13(18)-oleandien-28-säure-methylester","Acta Crystallographica Section C","2000","56","8","983","985","10.1107/S0108270100005801","","","1.54178","CuKα","","0.088","0.044","","","","0.13","","","","","","1.077","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011225","7.9348","0.0008","15.8841","0.001","12.148","0.0008","90","","99.041","0.007","90","","1512.1","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 3β-acetoxy-12,19-dioxoolean-9(11),13(18)-dien-28-oate","","- C33 H46 O6 -","- C33 H46 O6 -","- C66 H92 O12 -","2","1","JZ1393","Gzella, Andrzej","Triterpenoide. XX. 3β-Acetoxy-12-oxo-18β-olean- und 3β-Acetoxy-12,19-dioxo-9(11),13(18)-oleandien-28-säure-methylester","Acta Crystallographica Section C","2000","56","8","983","985","10.1107/S0108270100005801","","","1.54178","CuKα","","0.034","0.032","","","","0.092","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011226","4.8995","0.001","11.33","0.0013","23.82","0.003","90","","90","","90","","1322.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S,5S)-(+)-4-Hydroxymethyl-2,5-diphenyloxazoline","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","JZ1397","Gzella, Andrzej; Rozwadowska, Maria D.","(4<i>S</i>,5<i>S</i>)-(+)-4-Hydroxymethyl-2,5-diphenyloxazoline","Acta Crystallographica Section C","2000","56","8","981","982","10.1107/S0108270100006818","","","1.54178","CuKα","","0.032","0.0289","","","","0.0817","","","","","","1.076","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011227","16.611","0.003","16.611","0.003","10.6471","0.0013","90","","90","","120","","2544.2","0.7","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","2'-Deoxy-5-methylisocytidine","2-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-5-methylpyrimidin-4(1H)-one","","- C10 H15 N3 O4 -","- C10 H15 N3 O4 -","- C90 H135 N27 O36 -","9","1","JZ1402","Seela, Frank; He, Yang; Reuter, Hans; Heithoff, Eva-Maria","2'-Deoxy-5-methylisocytidine","Acta Crystallographica Section C","2000","56","8","989","991","10.1107/S0108270100006247","","","0.71073","MoKα","","0.044","0.039","","","","0.096","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011228","7.804","0.0003","7.9946","0.0003","8.987","0.0003","106.331","0.003","108.534","0.003","105.041","0.003","471.17","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 N10 Ni O4 S2 -","- C12 H12 N10 Ni O4 S2 -","- C12 H12 N10 Ni O4 S2 -","1","0.5","","Abul-Haj, Mohammad; Quirós, Miguel; Salas, Juan M.","Diaquabis{4,5-dihydro-[1,2,4]triazolo-[2,3-a]pyrimidin-5-one-N^3^} bis(thiocyanato-N)nickel(II)","Acta Crystallographica, Section C","2000","56","","934","935","10.1107/S0108270100007198","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2011229","20.012","0.008","8.929","0.003","16.473","0.005","90","","93.34","0.04","90","","2938.5","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethyl (1-Methyl-5-benzimidazolyl)aminomethylenepropanedioate Monohydrate","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C112 H136 N24 O40 -","8","1","NA1459","Kettmann, Viktor; Lokaj, Jan; Kratky, Christoph; Milata, Viktor; Hodul, Pavol","Dimethyl (1-methyl-1,3-benzimidazol-5-yl)aminomethylenepropanedioate monohydrate","Acta Crystallographica Section C","2000","56","8","1007","1008","10.1107/S0108270100006995","","","0.71073","MoKα","","0.1367","0.0609","","0.1749","","0.1435","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011230","9.0967","0.0014","8.8122","0.0013","12.5396","0.0014","90","","94.91","0.01","90","","1001.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(4-Pyridineethanesulfonato-N) Tetraaquazinc","","- C14 H24 N2 O10 S2 Zn -","- C14 H24 N2 O10 S2 Zn -","- C28 H48 N4 O20 S4 Zn2 -","2","0.5","NA1464","Zeng, Xi-Rui; Xiong, Ren-Geng; Xu, Yan; Liu, Yong-Jiang; You, Xiao-Zeng","Tetraaquabis[2-(4-pyridyl)ethanesulfonato-<i>N</i>]zinc(II)","Acta Crystallographica Section C","2000","56","8","943","944","10.1107/S0108270100007964","","","0.71073","MoKα","","0.037","0.0329","","","","0.0915","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011231","7.713","0.002","10.653","0.003","12.535","0.003","108.08","0.05","101.01","0.04","101.51","0.06","923.4","0.6","293","3","293","3","","","","","","","","6","P -1","-P 1","2","","[2,6-diacetylpyridine bis(S-methylisothiosemicarbazone)]iodonickel(II)","","- C13 H18 I N7 Ni S2 -","- C13 H18 I N7 Ni S2 -","- C26 H36 I2 N14 Ni2 S4 -","2","1","NA1472","Leovac, Vukadin M.; Bogdanović, Goran A.; Češljević, Valerija I.; Divjaković, Vladimir","Transition metal complexes with thiosemicarbazide-based ligands. XV. A square-pyramidal Ni^<b>II^</b> complex with an asymmetric coordination of 2,6-diacetylpyridine bis(<i>S</i>-methylisothiosemicarbazone)","Acta Crystallographica Section C","2000","56","8","936","938","10.1107/S0108270100007228","","","0.71073","MoKα","","0.0338","0.027","","0.0733","","0.0701","","","","","","1.356","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011232","26.23","0.005","5.881","0.0012","11.448","0.002","90","","90","","90","","1766","0.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","VENLAFAXINE HYDROCHLORIDE","1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride (Venlafaxine Hydrochloride)","","- C17 H28 Cl N O2 -","- C17 H28 Cl N O2 -","- C68 H112 Cl4 N4 O8 -","4","1","","Vega, Daniel; Fernández, Daniel; Echeverría, Gustavo","1-[2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]dimethylammonium chloride (venlafaxine hydrochloride)","Acta Crystallographica Section C Crystal Structure Communications","2000","56","8","1009","1010","10.1107/S0108270100007009","","","0.71073","MoKα","","0.0917","0.0434","","","","0.1491","","","","","","1.046","","","","has coordinates","246016","2020-10-21","18:00:00",""
"2011233","14.5439","0.0002","9.7314","0.0003","9.0181","0.0003","90","","110.938","0.001","90","","1192.07","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-dibenzoylhydrazine","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","0.5","NA1474","Shanmuga Sundara Raj, S; Yamin, Bohari M; Boshaala, Ahmed M.A.; Tarafder, M.T.H; Fun, Hoong-Kun","1,2-Dibenzoylhydrazine","Acta Crystallographica Section C","2000","56","8","1011","1012","10.1107/S0108270100007010","","","0.71073","MoKα","","0.0801","0.0534","","","","0.164","","","","","","0.959","","","","has coordinates,has Fobs","266859","2021-07-01","07:43:50",""
"2011234","7.306","0.002","7.759","0.002","13.141","0.003","89.28","0.02","79.34","0.02","75.63","0.02","708.7","0.3","213","","213","","","","","","","","","4","P -1","-P 1","2","tetraethylammonium hydroxide pentahydrate","tetraethylammonium hydroxide-water (1/5)","","- C8 H31 N O6 -","- C8 H31 N O6 -","- C16 H62 N2 O12 -","2","1","NA1475","Wiebcke, Michael; Felsche, Jürgen","NEt~4~OH·5H~2~O containing hydroxide‒water layers","Acta Crystallographica Section C","2000","56","8","1050","1052","10.1107/S0108270100007976","","","0.71073","MoKα","","0.092","0.04","","","","0.108","","","","","","0.976","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011235","11.9398","0.0006","11.8595","0.0006","11.3972","0.0006","90","","116.389","0.001","90","","1445.68","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","p-Methoxybenzaldehyde Benzoylhydrazone Monohydrate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","NA1476","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Lu, Zhong-Lin; Xiao, Wen; Gong, Xiao-Yang; Gen, Chang-Ming","<i>p</i>-Methoxybenzaldehyde benzoylhydrazone monohydrate","Acta Crystallographica Section C","2000","56","8","1013","1014","10.1107/S010827010000799X","","","0.71073","MoKα","","0.0992","0.0529","","","","0.1198","","","","","","0.925","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011236","7.679","0.004","7.004","0.005","10.372","0.005","90","","107.43","0.04","90","","532.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","O-Isopropyl N-(2-furoyl)thiocarbamate","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C18 H22 N2 O6 S2 -","2","0.5","NA1477","Morales, Angel Dago; Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Márquez, Heidy; Hernández, Ramón Pomés","<i>O</i>-Isopropyl <i>N</i>-(2-furoyl)thiocarbamate","Acta Crystallographica Section C","2000","56","8","1042","1043","10.1107/S0108270100007514","","","0.71073","MoKα","","0.169","0.055","","","","0.134","","","","","","0.979","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011237","7.513","0.0002","26.9091","0.0005","7.9141","0.0001","90","","90","","90","","1599.98","0.06","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-Methoxy-4-hydroxyl-benzaldehyde 4,5-Diaza-9-fluorenylidenehydrazone","","- C19 H14 N4 O2 -","- C19 H14 N4 O2 -","- C76 H56 N16 O8 -","4","1","NA1478","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Lu, Zhong-Lin; Xiao, Wen; Gong, Xiao-Yang; Gen, Chang-Ming","4-Hydroxy-3-methoxybenzaldehyde 4,5-diazafluoren-9-ylidenehydrazone","Acta Crystallographica Section C","2000","56","8","1015","1016","10.1107/S0108270100007988","","","0.71073","MoKα","","0.0593","0.0405","","","","0.0932","","","","","","0.931","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011238","13.1846","0.0006","13.1846","0.0006","8.8493","0.0006","90","","90","","90","","1538.31","0.14","193","2","193","2","","","","","","","","6","I -4","I -4","82","","Tetrakis(3,4-ethylenedioxy-2-thienyl)silane carbon tetrachloride solvate","","- C25 H20 Cl4 O8 S4 Si -","- C25 H20 Cl4 O8 S4 Si -","- C50 H40 Cl8 O16 S8 Si2 -","2","0.25","OA1098","Han, Bong-Hwan; Choi, Moon-Gun","Tetrakis(3,4-ethylenedioxy-2-thienyl)silane carbon tetrachloride solvate","Acta Crystallographica Section C","2000","56","8","1001","1003","10.1107/S0108270100006740","","","0.71073","MoKα","","0.03","0.028","","","","0.074","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011239","6.449","0.002","8.638","0.002","28.414","0.017","90","","90.48","0.04","90","","1582.8","1.1","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","PCH3ON2","4-phenyl-2-[4-Methoxyphenyldiazenyl]phenol","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","OB1031","Jiménez-Cruz, Federico; Pérez-Caballero, Guadalupe; Hernández-Ortega, Simón; Rubio-Arroyo, Manuel","2-(4-Methoxyphenylazo)-4-phenylphenol","Acta Crystallographica Section C","2000","56","8","1028","1029","10.1107/S0108270100007307","","","0.71073","MoKα","","0.1232","0.0482","","","","0.1268","","","","","","0.767","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011240","16.5579","0.0019","10.9208","0.0013","16.5426","0.0019","90","","114.748","0.008","90","","2716.6","0.6","293","2","303","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","1,3-bis(diphenylphosphino)propanetrichlorooxorhenium(V)","","- C27 H26 Cl3 O P2 Re -","- C27 H26 Cl3 O P2 Re -","- C108 H104 Cl12 O4 P8 Re4 -","4","1","OS1104","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Pardo, Helena; Russi, Silvia; Kremer, Carlos; Rivero, Mario; Kremer, Eduardo","[1,3-Bis(diphenylphosphino)propane]trichlorooxorhenium(V)","Acta Crystallographica Section C","2000","56","8","930","931","10.1107/S0108270100006983","","","0.71069","MoKα","","0.0396","0.0261","","","","0.0717","","","","","","1.049","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011241","9.082","0.001","9.789","0.002","5.741","0.008","104.92","0.01","93.2","0.01","109.06","0.01","460.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,2-dimethyl-1,3-propanediammonium chromate","","- C5 H16 Cr N2 O4 -","- C5 H16 Cr N2 O4 -","- C10 H32 Cr2 N4 O8 -","2","1","QA0286","Chebbi, Hammouda; Hajem, Amen Allah; Driss, Ahmed","Chromate de 2,2-diméthylpropylènediammonium","Acta Crystallographica Section C","2000","56","8","e333","e334","10.1107/S0108270100009677","","","0.71069","MoKα","","0.048","0.035","","","","0.088","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011242","13.7053","0.0012","13.9751","0.0012","14.4614","0.0012","80.665","0.002","87.283","0.002","87.942","0.002","2729","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(4,6-Dimercapto-1,3,5-triazine-2-thiolato-S^2^)tris(triphenylphosphine-P)gold(I) dimethylformamide solvate","","- C60 H54 Au N4 O P3 S3 -","- C60 H52 Au N4 O P3 S3 -","- C120 H104 Au2 N8 O2 P6 S6 -","2","1","QA0302","Zhao, Yingjun; Su, Weiping; Cao, Rong; Hong, Maochun","(4,6-Dimercapto-1,3,5-triazine-2-thiolato-<i>S</i>^2^)tris(triphenylphosphine-<i>P</i>)gold(I) dimethylformamide solvate","Acta Crystallographica Section C","2000","56","8","e331","e332","10.1107/S0108270100009665","","","0.71073","MoKα","","0.062","0.045","","","","0.113","","","","","","0.967","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2011243","10.73","0.002","9.659","0.002","15.287","0.003","90","","92.49","0.02","90","","1582.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2-Hydroxy-4-methylphenyl)bis(4-methylphenyl)phosphine Oxide","","- C19 H17 O2 P -","- C19 H17 O2 P -","- C76 H68 O8 P4 -","4","1","QA0310","Bélanger-Gariépy, Francine; Dartiguenave, Michèle; Loiseau, Frédérique; Beauchamp, André L.","(2-Hydroxy-5-methylphenyl)diphenylphosphine oxide","Acta Crystallographica Section C","2000","56","8","e338","e339","10.1107/S0108270100008878","","","1.54178","CuKα","","0.039","0.035","","0.104","","0.103","","","1.045","","","1.092","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011244","10.359","0.001","12.693","0.002","10.102","0.007","97.49","0.03","91.42","0.02","94.96","0.01","1311.1","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H36 Hf -","- C31 H36 Hf -","- C62 H72 Hf2 -","2","1","QA0315","Swenson, Dale C.; Guo, Zhaoyu; Crowther, Donna J.; Baenziger, Norman C.; Jordan, Richard F.","Tribenzyl(η^5^-pentamethylcyclopentadienyl)hafnium(IV)","Acta Crystallographica Section C","2000","56","8","e313","e314","10.1107/S010827010000888X","","","0.71073","MoKα","","0.036","0.029","","","","0.079","","","","","","1.068","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011245","20.647","0.002","11.835","0.001","17.275","0.002","90","","96.253","0.005","90","","4196.2","0.7","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Chloro(η^6^-p-cymene)(2-methyl-5-oxo-7-phenyl-5,6-dihydro-2H-1,2,4-triazepin- 3-thiolato-κ^2^N^4^,S)ruthenium","","- C21 H24 Cl N3 O Ru S -","- C21 H24 Cl N3 O Ru S -","- C168 H192 Cl8 N24 O8 Ru8 S8 -","8","2","QA0323","Aitali, Mustapha; Ait Itto, My Youssef; Hasnaoui, Aisa; Riahi, Abdelkhalek; Karim, Abdellah; García-Granda, Santiago; Gutiérrez-Rodríguez, Angel","Chloro(η^6^-<i>p</i>-cymene)(2-methyl-5-oxo-7-phenyl-5,6-dihydro-2<i>H</i>-1,2,4-triazepine-3-thiolato-κ^2^<i>N</i>^4^,<i>S</i>)ruthenium(II)","Acta Crystallographica Section C","2000","56","8","e315","e316","10.1107/S0108270100008891","","","1.54184","CuKα","","0.051","0.049","","","","0.119","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011246","13.0428","0.0006","15.053","0.0011","21.0245","0.0015","90","","103.05","0.004","90","","4021.2","0.5","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Aquabis(benzonitrile)(o-benzoquinone diimine)(triphenylphosphine)ruthenium(II) bis(tetrafluoroborate) hydrate","","- C38 H35 B2 F8 N4 O2 P Ru -","- C38 H35 B2 F8 N4 O2 P Ru -","- C152 H140 B8 F32 N16 O8 P4 Ru4 -","4","1","QA0326","Venegas-Yazigi, Diego; Lever, A. B. P.; Lough, Alan J.; Vega, Andrés; Paredes-García, Verónica; Costamagna, Juan; Latorre, Ramón","Aquabis(benzonitrile)(<i>o</i>-benzoquinone diimine)(triphenylphosphine)ruthenium(II) bis(tetrafluoroborate) hydrate","Acta Crystallographica Section C","2000","56","8","e323","e324","10.1107/S0108270100009215","","","0.71073","MoKα","","0.099","0.056","","","","0.167","","","","","","1.022","","","","has coordinates,has Fobs","191022","2020-10-21","18:00:00",""
"2011247","6.308","0.004","6.892","0.004","10.875","0.007","74.57","0.01","73.78","0.01","64.41","0.01","403.6","0.4","173","","173","2","","","","","","","","3","P -1","-P 1","2","","cis-4-cyclohexene-1,2-dicarboxylic acid","","- C8 H10 O4 -","- C8 H10 O4 -","- C16 H20 O8 -","2","1","QA0328","Bolte, Michael; Degen, Alexander","Redetermination of <i>cis</i>-4-cyclohexene-1,2-dicarboxylic acid at 173K","Acta Crystallographica Section C","2000","56","8","e340","e340","10.1107/S0108270100008908","","","0.71073","MoKα","","0.085","0.052","","","","0.127","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011248","19.401","0.008","22.383","0.009","20.805","0.009","90","","107.89","0.04","90","","8598","6","193","2","193","2","","","","","","","","8","C 1 2 1","C 2y","5","","{2,2'-[(R,R)-Cyclohexane-1,2-diylbis(nitrilomethylidyne)]bis(6-tert-butyl-4- (triphenylphosphoniomethyl)phenolato-O,N,N',O'}copper(II) dichloride hexakis(deuterochloroform) solvate","","- C72 H68 Cl20 Cu D6 N2 O2 P2 -","- C72 H68 Cl20 Cu D6 N2 O2 P2 -","- C288 H272 Cl80 Cu4 D24 N8 O8 P8 -","4","1","QA0329","Pajunen, Aarne; Mutikainen, Ilpo; Haikarainen, Anssi; Sipilä, Jussi; Pietikäinen, Pekka","{2,2'-[(<i>R</i>,<i>R</i>)-Cyclohexane-1,2-diylbis(nitrilomethylidyne)]bis[6-<i>tert</i>-butyl-4-(triphenylphosphoniomethyl)phenolato]-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}copper(II) dichloride hexakis(deuterochloroform) solvate","Acta Crystallographica Section C","2000","56","8","e321","e322","10.1107/S0108270100009203","","","0.71073","MoKα","","0.108","0.067","","","","0.188","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011249","11.0632","0.0005","15.8711","0.0009","9.9597","0.0004","90","","97.559","0.003","90","","1733.58","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-carboxybenzeneammonium) sulfate monohydrate","bis(anthranilium) sulfate monohydrate","","- C14 H18 N2 O9 S -","- C14 H18 N2 O9 S -","- C56 H72 N8 O36 S4 -","4","1","QA0330","Slouf, Miroslav","Bis(2-carboxyanilinium) sulfate monohydrate","Acta Crystallographica Section C","2000","56","8","e353","e353","10.1107/S010827010000915X","","","0.7107","MoKα","","0.08","0.053","","","","0.14","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011250","7.6624","0.0006","5.5762","0.0004","15.2489","0.0011","90","","90","","90","","651.54","0.08","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","phenylphosphinic acid","","- C6 H7 O2 P -","- C6 H7 O2 P -","- C24 H28 O8 P4 -","4","1","QA0333","Robert A. Burrow; David H. Farrar; Alan J. Lough; Márcia R. Siqueira; Fatima Squizani","Phenylphosphinic acid","Acta Crystallographica Section C","2000","56","8","e357","e358","10.1107/S0108270100009227","","","0.71073","MoKα","","0.049","0.038","","","","0.089","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011251","9.727","0.002","16.632","0.004","7.104","0.002","90","","90","","90","","1149.3","0.5","210","2","210","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N5 O2 -","- C11 H13 N5 O2 -","- C44 H52 N20 O8 -","4","1","QA0334","Swenson, Dale C.; Nair, Vasu; Bera, Sanjib","Two isomeric dideoxynucleosides","Acta Crystallographica Section C","2000","56","8","e343","e345","10.1107/S0108270100008921","","","0.71073","MoKα","","0.025","0.023","","","","0.064","","","","","","1.107","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011252","8.496","0.004","18.53","0.006","7.226","0.002","90","","90.81","0.04","90","","1137.5","0.7","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N5 O2 -","- C11 H13 N5 O2 -","- C44 H52 N20 O8 -","4","2","QA0334","Swenson, Dale C.; Nair, Vasu; Bera, Sanjib","Two isomeric dideoxynucleosides","Acta Crystallographica Section C","2000","56","8","e343","e345","10.1107/S0108270100008921","","","0.71073","MoKα","","0.07","0.049","","","","0.133","","","","","","0.973","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011253","9.131","0.002","22.09","0.005","7.175","0.003","90","","90.67","0.03","90","","1447.1","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","n-butylammonium dihydrogenphosphate","","- C3 H12 N O4 P -","- C3 H12 N O4 P -","- C24 H96 N8 O32 P8 -","8","2","QA0335","Fábry, Jan; Císařová, Ivana; Kroupa, Jan","Ferroelastic <i>n</i>-propylammonium dihydrogenphosphate","Acta Crystallographica Section C","2000","56","8","e359","e360","10.1107/S0108270100009598","","","0.71073","MoKα","","0.082","0.034","","0.039","","0.039","","","1.39","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011254","9.438","0.002","8.529","0.002","16.503","0.003","90","","98.38","0.03","90","","1314.3","0.5","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(6R)-6-(3'β-acetoxy-5'-androsten-17'β-yl)-2-phenyl- 5,6-dihydro-4H-[1,3]oxazine","","- C31 H41 N O3 -","- C31 H41 N O3 -","- C62 H82 N2 O6 -","2","1","QA0336","Hewitt, Manuel; Schneider, Thomas R.; Szemerédi, Zsuzsanna; Hajnal, Andrea; Wölfling, Janos; Schneider, Gyula","A steroidal phenyldihydro-1,3-oxazine derivative","Acta Crystallographica Section C","2000","56","8","e363","e364","10.1107/S0108270100009628","","","0.71073","MoKα","","0.042","0.035","","","","0.083","","","","","","1.076","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011255","17.0545","0.001","10.5812","0.0006","15.9456","0.0007","90","","91.332","0.006","90","","2876.7","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate","Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate","","- C30 H24 Cl2 Fe N6 O8 -","- C30 H24 Cl2 Fe N6 O8 -","- C120 H96 Cl8 Fe4 N24 O32 -","4","0.5","QA0337","Batten, Stuart R.; Murray, Keith S.; Sinclair, Nathan J.","Tris(2,2'-bipyridyl-<i>N</i>,<i>N</i>')iron(II) diperchlorate","Acta Crystallographica Section C","2000","56","8","e320","e320","10.1107/S0108270100009185","","","0.71073","MoKα","","0.118","0.061","","","","0.137","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011256","12.874","0.004","13.76","0.005","24.974","0.007","98.82","0.03","93.97","0.02","117.8","0.03","3817","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","methyltriphenylstibonium tetrafluoroborate","","- C19 H18 B F4 Sb -","- C19 H18 B F4 Sb -","- C152 H144 B8 F32 Sb8 -","8","4","QA0338","Low, John Nicolson; Ferguson, George; Wardell, James L.","Methyltriphenylstibonium tetrafluoroborate","Acta Crystallographica Section C","2000","56","8","e317","e317","10.1107/S0108270100008945","","","0.7093","MoKα","","0.11","0.057","","","","0.181","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011257","14.061","0.005","6.644","0.003","21.018","0.01","90","","96.82","0.03","90","","1949.6","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[2-(1-3H-Indenyl)ethyl]-diphenylphosphineborane","","- C23 H24 B P -","- C23 H24 B P -","- C92 H96 B4 P4 -","4","1","QA0339","Groux, Laurent F.; Zargarian, Davit","[2-(1<i>H</i>-Inden-3-yl)ethyl]diphenylphosphine‒borane","Acta Crystallographica Section C","2000","56","8","e366","e367","10.1107/S0108270100009690","","","1.54056","CuKα","","0.099","0.037","","0.078","","0.067","","","0.642","","","0.853","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011258","9.3965","0.0002","10.5437","0.0003","13.2813","0.0004","109.612","0.0016","90.009","0.002","103.902","0.002","1198.48","0.06","291","1","291","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H35 N O2 S -","- C26 H35 N O2 S -","- C52 H70 N2 O4 S2 -","2","1","QA0340","Hollmann, Christoph; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","<i>N</i>-Benzyl-4-methyl-<i>N</i>-[(3a<i>R</i>*,4<i>R</i>*,7a<i>R</i>*)-6,6,7a-trimethylperhydroinden-4-yl]benzenesulfonamide","Acta Crystallographica Section C","2000","56","8","e352","e352","10.1107/S0108270100009148","","","0.71073","MoKα","","0.078","0.044","","","","0.123","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011259","16.259","0.0006","8.0575","0.0002","14.7794","0.0006","90","","121.967","0.002","90","","1642.58","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,6-Bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","0.5","QA0342","Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Chen, Zhen-Feng; Zhang, Jing; Xiong, Ren-Gen; You, Xiao-Zeng","3,6-Bis(4-hydroxybenzyl)piperazine-2,5-dione","Acta Crystallographica Section C","2000","56","8","e341","e342","10.1107/S010827010000891X","","","0.71073","MoKα","","0.112","0.055","","","","0.146","","","","","","0.9","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011260","6.66","0.001","31.984","0.008","7.123","0.002","90","","114.93","0.02","90","","1375.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Methoxy-3-(salicylideneamino)coumarin","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","QA0343","Khoo, Lian Ee; Zhang, Yiqun; Ng, Seik Weng","7-Methoxy-3-(salicylideneamino)coumarin","Acta Crystallographica Section C","2000","56","8","e350","e351","10.1107/S0108270100009136","","","0.71073","MoKα","","0.108","0.056","","","","0.172","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011261","6.8821","0.0002","13.4754","0.0004","12.0807","0.0004","90","","100.338","0.0019","90","","1102.16","0.06","291","1","291","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","QA0344","Roggenbuck, Rafael; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","(5<i>S</i>*,6<i>R</i>*)-1,7-Dioxadispiro[4.0.4.4]tetradecane-2,8-dione","Acta Crystallographica Section C","2000","56","8","e356","e356","10.1107/S0108270100009173","","","0.71073","MoKα","","0.073","0.038","","","","0.101","","","","","","0.953","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011262","8.8863","0.0019","8.8863","0.0019","21.299","0.006","90","","90","","90","","1681.9","0.7","168","2","168","2","","","","","","","","6","P 41","P 4w","76","","(+)-(2R,3S)-3-Bromo-2-chloro-N,N-diisopropyl-3-phenylpropanamide","","- C15 H21 Br Cl N O -","- C15 H21 Br Cl N O -","- C60 H84 Br4 Cl4 N4 O4 -","4","1","QA0345","Chan, Bun; Wong Leh See, Elicia; Simpson, Jim; Tan, Eng Wui","(+)-(2<i>R</i>,3<i>S</i>)-3-Bromo-2-chloro-<i>N</i>,<i>N</i>-diisopropyl-3-phenylpropanamide and (+)-(2<i>R</i>,3<i>S</i>)-3-bromo-2-chloro-<i>N</i>-(4-nitrophenyl)-3-phenylpropanamide","Acta Crystallographica Section C","2000","56","8","e354","e355","10.1107/S0108270100009161","","","0.71073","MoKα","","0.071","0.053","","","","0.133","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011263","13.9","0.004","14.648","0.005","15.553","0.005","90","","90","","90","","3166.7","1.7","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(+)-(2R,3S)-3-Bromo-2-chloro-N-(4-nitrophenyl)-3-phenylpropanamide","","- C15 H12 Br Cl N2 O3 -","- C15 H12 Br Cl N2 O3 -","- C120 H96 Br8 Cl8 N16 O24 -","8","2","QA0345","Chan, Bun; Wong Leh See, Elicia; Simpson, Jim; Tan, Eng Wui","(+)-(2<i>R</i>,3<i>S</i>)-3-Bromo-2-chloro-<i>N</i>,<i>N</i>-diisopropyl-3-phenylpropanamide and (+)-(2<i>R</i>,3<i>S</i>)-3-bromo-2-chloro-<i>N</i>-(4-nitrophenyl)-3-phenylpropanamide","Acta Crystallographica Section C","2000","56","8","e354","e355","10.1107/S0108270100009161","","","0.71073","MoKα","","0.052","0.033","","","","0.066","","","","","","0.967","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011264","21.079","0.002","10.324","0.004","15.8637","0.0018","90","","109.78","0.009","90","","3248.6","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H30 Mo6 Nd2 O38 Pt -","- Mo6 Nd2 O38 Pt -","- Mo24 Nd8 O152 Pt4 -","4","0.5","QA0346","Lee, Uk; Joo, Hea Chung","Dineodymium dihydrogen α-hexamolybdoplatinate(IV) tetradecahydrate, Nd~2~[H~2~α-PtMo~6~O~24~]·14H~2~O","Acta Crystallographica Section C","2000","56","8","e311","e312","10.1107/S0108270100009689","","","0.71069","MoKα","","0.081","0.05","","","","0.12","","","","","","1.132","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011265","44.44","0.02","9.651","0.004","19.527","0.007","90","","111.7","0.03","90","","7781","6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(3,5-dinitrobenzoato)bis(triphenylphosphine)silver(I)","","- C43 H33 Ag N2 O6 P2 -","- C43 H33 Ag N2 O6 P2 -","- C344 H264 Ag8 N16 O48 P16 -","8","1","QA0348","Othman, Abdul Hamid; Yang, Yang-Yi; Chen, Xiao-Ming; Ng, Seik Weng","Trigonal‒planar silver coordination in (3,5-dinitrobenzoato)bis(triphenylphosphine)silver(I)","Acta Crystallographica Section C","2000","56","8","e318","e319","10.1107/S0108270100008957","","","0.71073","MoKα","","0.069","0.042","","","","0.11","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011266","9.23","0.008","10.907","0.006","12.056","0.012","112.68","0.06","95.2","0.07","106.05","0.06","1049.2","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 S2 -","- C26 H20 N2 S2 -","- C52 H40 N4 S4 -","2","1","QA0350","Sen, Liao; Su, Cheng-Yong; Zhang, Ze-Fu; Liu, Han-Qin; Zhu, Hai-Liang","1,2-Bis(8-quinolylthiomethyl)benzene","Acta Crystallographica Section C","2000","56","8","e348","e349","10.1107/S0108270100009124","","","0.71073","MoKα","","0.082","0.046","","","","0.111","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011267","19.6683","0.0016","18.7739","0.0016","19.8049","0.0017","90","","117.201","0.001","90","","6504.2","0.9","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 B F15 In N2 O -","- C32.0025 H23 B F15 In N2 O -","- C256.02 H184 B8 F120 In8 N16 O8 -","8","2","QA0351","Guzei, Ilia A.; Delpech, Fabien; Jordan, Richard F.","[Hydroxytris(pentafluorophenyl)borato-<i>O</i>][<i>N</i>-isopropyl-2-(isopropylamino)troponiminato-<i>N</i>]methylindium(III)","Acta Crystallographica Section C","2000","56","8","e327","e328","10.1107/S010827010000963X","","","0.71073","MoKα","","0.058","0.031","","","","0.075","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011268","15.594","0.003","16.837","0.002","5.6919","0.0008","90","","90","","90","","1494.4","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-one","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","1","QA0352","Yoshinobu Inouye","(1<i>R</i>,8<i>R</i>,11<i>R</i>)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-one and (1<i>R</i>,2<i>R</i>,8<i>R</i>,11<i>R</i>)-3,3,11-trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol","Acta Crystallographica Section C","2000","56","8","e361","e362","10.1107/S0108270100009616","","","0.71073","MoKα","","0.172","0.068","","0.253","","0.168","","","1.066","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011269","10.368","0.003","16.3349","0.0014","10.211","0.003","90","","116.614","0.012","90","","1546.1","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,2R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol","","- C16 H28 O3 -","- C16 H28 O3 -","- C64 H112 O12 -","4","2","QA0352","Yoshinobu Inouye","(1<i>R</i>,8<i>R</i>,11<i>R</i>)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-one and (1<i>R</i>,2<i>R</i>,8<i>R</i>,11<i>R</i>)-3,3,11-trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol","Acta Crystallographica Section C","2000","56","8","e361","e362","10.1107/S0108270100009616","","","0.71073","MoKα","","0.075","0.045","","0.127","","0.111","","","1.046","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011270","8.0276","0.001","8.7013","0.0011","9.543","0.002","90","","105.901","0.013","90","","641.08","0.18","293","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","Ethylene diammonium bis(hydrogenmalonate) monohydrate","","- C8 H18 N2 O9 -","- C8 H18 N2 O9 -","- C16 H36 N4 O18 -","2","0.5","QA0353","Barnes, John C.; Weakley, Timothy J. R.","Hydrogen bonding in ethylenediammonium bis(hydrogen malonate) monohydrate","Acta Crystallographica Section C","2000","56","8","e346","e347","10.1107/S0108270100008933","","","0.71073","MoKα","","0.058","0.044","","","","0.159","","","","","","0.787","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011271","12.166","0.0004","5.5725","0.0002","14.5413","0.0004","90","","109.247","0.002","90","","930.73","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","p-Cresyl 2,3-anhydro-5-phthalimido-1-thio-α-D-lyxofuranoside","","- C20 H17 N O4 S -","- C20 H17 N O4 S -","- C40 H34 N2 O8 S2 -","2","1","QA0356","Gallucci, Judith C.; Gadikota, Rajendrakumar Reddy; Lowary, Todd L.","<i>p</i>-Cresyl 2,3-anhydro-5-deoxy-5-phthalimido-1-thio-α-<small>D</small>-lyxofuranoside","Acta Crystallographica Section C","2000","56","8","e365","e365","10.1107/S0108270100009641","","","0.71073","MoKα","","0.058","0.047","","0.106","","0.102","","","1.048","","","1.086","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011272","10.146","0.004","9.003","0.007","15.035","0.002","90","","92.28","0.02","90","","1372.3","1.2","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 I2 N2 O2 Pt -","- C8 H14 I2 N2 O2 Pt -","- C32 H56 I8 N8 O8 Pt4 -","4","1","QA0357","Saltmarsh, Jennifer A.; Howell, Bob A.; Squattrito, Philip J.","<i>cis</i>-Bis(3,6-dihydro-2<i>H</i>-1,2-oxazine-<i>N</i>)diiodoplatinum(II) and <i>cis</i>-bis(3,4,5,6-tetrahydro-2<i>H</i>-1,2-oxazine-<i>N</i>)diiodoplatinum(II)","Acta Crystallographica Section C","2000","56","8","e335","e337","10.1107/S0108270100009707","","","0.7107","MoKα","","","0.03","","","","0.028","","","","","","1.48","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011273","9.379","0.005","9.537","0.004","8.95","0.004","91.1","0.04","98.37","0.04","66.98","0.04","728.3","0.6","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 I2 N2 O2 Pt -","- C8 H18 I2 N2 O2 Pt -","- C16 H36 I4 N4 O4 Pt2 -","2","1","QA0357","Saltmarsh, Jennifer A.; Howell, Bob A.; Squattrito, Philip J.","<i>cis</i>-Bis(3,6-dihydro-2<i>H</i>-1,2-oxazine-<i>N</i>)diiodoplatinum(II) and <i>cis</i>-bis(3,4,5,6-tetrahydro-2<i>H</i>-1,2-oxazine-<i>N</i>)diiodoplatinum(II)","Acta Crystallographica Section C","2000","56","8","e335","e337","10.1107/S0108270100009707","","","0.7107","MoKα","","","0.052","","","","0.058","","","","","","2.7","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011274","9.486","0.0019","18.974","0.004","10.759","0.002","90","","92.48","0.03","90","","1934.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[[diaqua(isonicotinato-O,O')europium(III)]-di-μ-isonicotinato-O:O'] dihydrate]","","- C18 H16 Eu N3 O8 -","- C18 H16 Eu N3 O8 -","- C72 H64 Eu4 N12 O32 -","4","1","QA0360","Zeng, Xi-Rui; Xu, Yan; Xiong, Ren-Geng; Zhang, Li-Juan; You, Xiao-Zeng","<i>catena</i>-Poly[[diaqua(isonicotinato-<i>O</i>,<i>O</i>')europium(III)]-di-μ-isonicotinato-<i>O</i>:<i>O</i>']","Acta Crystallographica Section C","2000","56","8","e325","e326","10.1107/S0108270100009604","","","0.71073","MoKα","","0.03","0.025","","","","0.07","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011275","11.668","0.005","12.445","0.005","8.918","0.005","96.697","0.005","106.143","0.005","106.72","0.005","1163.8","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H25 Ba N3 O5 S2 -","- C19 H25 Ba N3 O5 S2 -","- C38 H50 Ba2 N6 O10 S4 -","2","1","QA0361","Yamamoto, Emi; Kubo, Kanji; Kato, Nobuo; Mori, Akira","Bis[μ-2-(1,4,7,10-tetraoxa-13-azacyclopentadeca-13-yl)cyclohepta-2,4,6-trien-1-one]bis[bis(thiocyanato)barium(II)]","Acta Crystallographica Section C","2000","56","8","e329","e330","10.1107/S0108270100009653","","","0.71073","MoKα","","0.035","0.026","","","","0.07","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011276","10.853","0.001","11.547","0.001","7.821","0.001","96.97","0.01","110.03","0.01","86.84","0.01","913.94","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Bis[3-(o-methoxyphenyl)-1-methyltriazene 1-oxide(1-)-O,N^3^,O']zinc(II)","Bis[3-(o-methoxyphenyl)-1-methyltriazene 1-oxide(1-)-O,N^3^,O']zinc(II)","","- C16 H20 N6 O4 Zn -","- C16 H20 N6 O4 Zn -","- C32 H40 N12 O8 Zn2 -","2","1","SK1370","Mukherjee, Alok K.; Samanta, Chitra; Mukherjee, Monika; Helliwell, M.","Bis[3-(<i>o</i>-methoxyphenyl)-1-methyltriazene 1-oxidato-<i>O</i>,<i>N</i>^3^,<i>O</i>']zinc(II)","Acta Crystallographica Section C","2000","56","8","952","954","10.1107/S0108270100008003","","","1.5418","CuKα","","0.048","0.042","","","","0.122","","","","","","0.966","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011277","14.5912","0.0019","7.0951","0.0011","15.8414","0.0013","90","","99.138","0.008","90","","1619.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sarcosinium trifluoroacetate","N-methylglycinium trifluoroacetate","","- C5 H8 F3 N O4 -","- C5 H8 F3 N O4 -","- C40 H64 F24 N8 O32 -","8","1","SK1378","Rodrigues, V. H.; Paixão, J. A.; Costa, M.M.R.R.; Matos Beja, A.","Sarcosinium trifluoroacetate","Acta Crystallographica Section C","2000","56","8","1053","1055","10.1107/S010827010000809X","","","0.71073","MoKα","","0.071","0.0557","","","","0.1792","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011278","18.1212","0.0003","18.0363","0.0002","21.8937","0.0001","90","","98.454","0.001","90","","7077.97","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium 4-oxo-4H-pyran-2,6-dicarboxylatotributylstannate","","- C31 H53 N O6 Sn -","- C31 H53 N O6 Sn -","- C248 H424 N8 O48 Sn8 -","8","2","SK1382","Ng, Seik Weng; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hook, James M.","Linear chains in polymeric dicyclohexylammonium tributyl(4-oxo-4<i>H</i>-pyran-2,6-dicarboxylato)stannate and methylphenylammonium tributyl(pyridine-2,6-dicarboxylato)stannate containing trigonal bipyramidal tin","Acta Crystallographica Section C","2000","56","8","966","968","10.1107/S0108270100008106","","","0.71073","MoKα","","0.128","0.0681","","","","0.1889","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011279","17.7536","0.0003","9.3746","0.0001","17.8985","0.0002","90","","102.981","0.001","90","","2902.77","0.07","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methylphenylammonium 2,6-pyridinedicarboxylatotributylstannate","","- C26 H40 N2 O4 Sn -","- C26 H40 N2 O4 Sn -","- C104 H160 N8 O16 Sn4 -","4","1","SK1382","Ng, Seik Weng; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Hook, James M.","Linear chains in polymeric dicyclohexylammonium tributyl(4-oxo-4<i>H</i>-pyran-2,6-dicarboxylato)stannate and methylphenylammonium tributyl(pyridine-2,6-dicarboxylato)stannate containing trigonal bipyramidal tin","Acta Crystallographica Section C","2000","56","8","966","968","10.1107/S0108270100008106","","","0.71073","MoKα","","0.0701","0.0488","","","","0.1552","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011280","8.571","0.0007","6.4665","0.0003","9.8502","0.0008","90","","106.783","0.003","90","","522.69","0.07","291","1","291","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(-)-(1R,2S,2'R,5R)-2-(1-Hydroxyprop-2-yl)-5-methylcyclohexanol","","- C10 H20 O2 -","- C10 H20 O2 -","- C20 H40 O4 -","2","1","SK1383","Körner, Ferdinand; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","(‒)-(1<i>R</i>,2<i>S</i>,2'<i>R</i>,5<i>R</i>)-2-(1-Hydroxyprop-2-yl)-5-methylcyclohexanol. Corrigendum","Acta Crystallographica Section C","2000","56","8","1056","1056","10.1107/S0108270100005011","","","0.71069","MoKα","","0.063","0.036","","","","0.081","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011281","10.006","0.004","8.543","0.003","26.09","0.01","90","","98.52","0.04","90","","2205.6","1.5","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-2-(2-α-Naphthyl)vinyl-3-p-tosyl benzothiazoline","","- C26 H21 N O2 S2 -","- C26 H21 N O2 S2 -","- C104 H84 N4 O8 S8 -","4","1","SK1385","Maiti, Susim; Mukherjee, Monika; Nandi, Bidisha; Helliwell, Madeleine; Kundu, Nitya G.","(<i>E</i>)-2-[2-(1-Naphthyl)vinyl]-3-tosyl-2,3-dihydro-1,3-benzothiazole","Acta Crystallographica Section C","2000","56","8","992","994","10.1107/S0108270100006259","","","1.5418","CuKα","","0.144","0.069","","","","0.225","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011282","16.2515","0.0016","16.2515","0.0016","13.7964","0.0019","90","","90","","90","","3643.8","0.7","173","1","173","1","","","","","","","","5","P 41","P 4w","76","","(M)-8-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl- 8,9-dihydro-7H-dinaphth[2,1-c:1',2'-e]azepinium bromide acetone (1/3) solvate","","- C41 H48 Br N O4 -","- C41 H48 Br N O4 -","- C164 H192 Br4 N4 O16 -","4","1","SK1391","Schneider, Monica; Linden, Anthony; Rippert, Andreas, J.","(<i>M</i>)- and (<i>P</i>)-8-[(1<i>S</i>,2<i>R</i>)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl-8,9-dihydro-7<i>H</i>-dinaphth[2,1-<i>c</i>:1',2'-<i>e</i>]azepinium bromide solvates","Acta Crystallographica Section C","2000","56","8","1004","1006","10.1107/S0108270100006739","","","0.71069","MoKα","","0.197","0.065","","","","0.169","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011283","8.234","0.003","12.267","0.002","14.3806","0.0019","90","","98.015","0.015","90","","1438.3","0.6","173","1","173","1","","","","","","","","6","P 1 21 1","P 2yb","4","","(P)-8-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl- 8,9-dihydro-7H-dinaphth[2,1-c:1',2'-e]azepinium bromide dichloromethane (1/1) solvate","","- C33 H32 Br Cl2 N O -","- C33 H32 Br Cl2 N O -","- C66 H64 Br2 Cl4 N2 O2 -","2","1","SK1391","Schneider, Monica; Linden, Anthony; Rippert, Andreas, J.","(<i>M</i>)- and (<i>P</i>)-8-[(1<i>S</i>,2<i>R</i>)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl-8,9-dihydro-7<i>H</i>-dinaphth[2,1-<i>c</i>:1',2'-<i>e</i>]azepinium bromide solvates","Acta Crystallographica Section C","2000","56","8","1004","1006","10.1107/S0108270100006739","","","0.71069","MoKα","","0.07","0.039","","","","0.096","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011284","12.0927","0.0002","25.2129","0.0005","15.4999","0.0003","90","","102.392","0.001","90","","4615.7","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(Diisopropyldithiocarbamate) Bis(triphenylphosphines) Gold(I)] butane Solvate","","- C47 H54 Au N P2 S2 -","- C47 H54 Au N P2 S2 -","- C188 H216 Au4 N4 P8 S8 -","4","1","SK1392","Jian, Fangfang; Lu, Lude; Wang, Xin; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun","(<i>N</i>,<i>N</i>-Diisopropyldithiocarbamato-<i>S</i>,<i>S</i>')bis(triphenylphosphine-<i>P</i>)gold(I) butane solvate","Acta Crystallographica Section C","2000","56","8","939","940","10.1107/S0108270100007319","","","0.71073","MoKα","","0.128","0.052","","","","0.119","","","","","","0.988","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011285","18.292","0.007","10.969","0.003","21.363","0.008","90","","105.093","0.0017","90","","4139","2","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","trans-Chloro(2-nitrobenzenethiolato-S)bis(triphenylphosphine-P)palladium(II) monoacetone solvate","","- C45 H40 Cl N O3 P2 Pd S -","- C45 H40 Cl N O3 P2 Pd S -","- C180 H160 Cl4 N4 O12 P8 Pd4 S4 -","4","1","SK1393","Aupers, John H.; Ferguson, George; Glidewell, Christopher; Low, John N.; Wardell, James L.","<i>trans</i>-Chloro(2-nitrobenzenethiolato-<i>S</i>)bis(triphenylphosphine-<i>P</i>)palladium(II) monoacetone solvate","Acta Crystallographica Section C","2000","56","8","945","947","10.1107/S0108270100007320","","","0.71073","MoKα","","0.139","0.053","","","","0.147","","","","","","0.943","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011286","10.3499","0.0006","10.3499","0.0006","14.6652","0.0011","90","","90","","120","","1360.48","0.15","173","1","173","1","","","","","","","","6","P 63","P 6c","173","","tris(1,6-dihydro-9H-purine-6-thione-N^7^,S)iron(II) tetrachloroferrate(III) chloride","","- C15 H12 Cl5 Fe2 N12 S3 -","- C15 H12 Cl5 Fe2 N12 S3 -","- C30 H24 Cl10 Fe4 N24 S6 -","2","0.333333","SK1395","Schmalle, Helmut W.; Gyr, Ernst; Dubler, Erich","A mixed-valence iron complex of the antitumour drug 6-mercaptopurine: tris(6-mercaptopurine)iron(II) tetrachloroferrate(III) chloride","Acta Crystallographica Section C","2000","56","8","957","959","10.1107/S0108270100008118","","","0.71073","MoKα","","0.024","0.021","","","","0.038","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011287","8.488","0.0002","22.7523","0.0002","8.781","0.0002","90","","114.929","0.001","90","","1537.8","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5-Diaza-9-fluorenone Benzoylhydrazone Monohydrate","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C72 H56 N16 O8 -","4","1","SK1396","Lu, Zhong-Lin; Xiao, Wen; Chen, Zhong-Ning; Gong, Xiao-Yang; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun","4,5-Diazafluoren-9-one benzoylhydrazone monohydrate","Acta Crystallographica Section C","2000","56","8","1017","1018","10.1107/S0108270100007459","","","0.71073","MoKα","","0.1153","0.0614","","","","0.1207","","","","","","0.93","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011288","7.7198","0.0001","20.4639","0.0003","15.9112","0.0002","90","","90","","90","","2513.61","0.06","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Trans-dichloro (1, 5, 9, 13-tetramethyl-1, 5, 9, 13-tetrazacyclohexadecane) Ruthenium(III)triiodide","","- C16 H36 Cl2 I3 N4 Ru -","- C16 H36 Cl2 I3 N4 Ru -","- C64 H144 Cl8 I12 N16 Ru4 -","4","0.5","SK1397","Zeng, Xi-Rui; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zuo, Jing-Lin; You, Xiao-Zeng","<i>trans</i>-Dichloro(1,5,9,13-tetramethyl-1,5,9,13-tetrazacyclohexadecane-κ^4^<i>N</i>)ruthenium(III) triiodide","Acta Crystallographica Section C","2000","56","8","941","942","10.1107/S0108270100007460","","","0.71073","MoKα","","0.0525","0.0392","","","","0.0867","","","","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011289","10.418","0.002","8.88","0.006","13.56","0.002","90","","91.36","0.01","90","","1254.1","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-N-Benzylamino -2,3-dideoxy -4,6-O-(phenyl methylene)- 3-C-phenylsulfonyl a\-D-glucopyranoside","","- C27 H29 N O6 S -","- C27 H29 N O6 S -","- C54 H58 N2 O12 S2 -","2","1","VJ1104","Suresh, Cheravakkattu G.; Ravindran, Bindu; Rao, K. Narasimha; Pathak, Tanmaya","Comparison of the two anomers of methyl 2-(<i>N</i>-benzylamino)-2,3-dideoxy-4,6-<i>O</i>-phenylmethylene-3-<i>C</i>-phenylsulfonyl-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2000","56","8","1030","1032","10.1107/S0108270100007344","","","1.5418","CuKa","","0.0347","0.0333","","0.0927","","0.0904","","","1.056","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011290","8.319","0.001","13.197","0.002","5.75","0.002","100.84","0.02","98.61","0.02","89.43","0.01","612.9","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","Methyl 2-N-Benzylamino -2,3-dideoxy -4,6-O-(phenyl methylene)- 3-C-phenylsulfonyl b\-D-glucopyranoside","","- C27 H29 N O6 S -","- C27 H29 N O6 S -","- C27 H29 N O6 S -","1","1","VJ1104","Suresh, Cheravakkattu G.; Ravindran, Bindu; Rao, K. Narasimha; Pathak, Tanmaya","Comparison of the two anomers of methyl 2-(<i>N</i>-benzylamino)-2,3-dideoxy-4,6-<i>O</i>-phenylmethylene-3-<i>C</i>-phenylsulfonyl-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2000","56","8","1030","1032","10.1107/S0108270100007344","","","1.5418","CuKα","","0.0696","0.0694","","0.2029","","0.2025","","","1.104","","","1.106","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011291","6.0315","0.0007","7.249","0.0008","12.8693","0.0019","90","","91.921","0.009","90","","562.36","0.12","135","2","135","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,2'-Anhydro-5-(β-D-arabinofuranosyl)-uracil dihydrate","","- C9 H14 N2 O7 -","- C9 H14 N2 O7 -","- C18 H28 N4 O14 -","2","1","AV1044","Bats, Jan W.; Parsch, Uwe; Engels, Joachim W.","Solid-state transformation of 4,2'-anhydro-5-(β-<small>D</small>-arabinofuranosyl)uracil dihydrate to 4,2'-anhydro-5-(β-<small>D</small>-arabinofuranosyl)uracil monohydrate","Acta Crystallographica Section C","2000","56","9","1129","1131","10.1107/S0108270100007794","","","0.71073","MoKα","","0.026","0.025","","","","0.076","","","","","","1.377","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011292","6.024","0.002","7.218","0.003","12.357","0.004","90","","101.4","0.04","90","","526.7","0.3","137","2","137","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,2'-Anhydro-5-(β-D-arabinofuranosyl)-uracil monohydrate","","- C9 H12 N2 O6 -","- C9 H12 N2 O6 -","- C18 H24 N4 O12 -","2","1","AV1044","Bats, Jan W.; Parsch, Uwe; Engels, Joachim W.","Solid-state transformation of 4,2'-anhydro-5-(β-<small>D</small>-arabinofuranosyl)uracil dihydrate to 4,2'-anhydro-5-(β-<small>D</small>-arabinofuranosyl)uracil monohydrate","Acta Crystallographica Section C","2000","56","9","1129","1131","10.1107/S0108270100007794","","","0.71073","MoKα","","0.082","0.054","","","","0.11","","","","","","1.376","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011293","9.282","","10.803","","7.887","","90","","111.45","","90","","736.08","","122","2","122","2","","","","","","","","4","C 1 c 1","C -2yc","9","N-Methyl-DL-Aspartic Acid monohydrate","N-Methyl-DL-Aspartic Acid","","- C5 H11 N O5 -","- C5 H11 N O5 -","- C20 H44 N4 O20 -","4","1","AV1045","Madsen, Dennis; Pattison, Philip","<i>N</i>-Methyl-<small>DL</small>-aspartic acid monohydrate","Acta Crystallographica Section C","2000","56","9","1157","1158","10.1107/S0108270100008593","","","0.7","Synchrotron","","0.0297","0.0297","","","","0.074","","","","","","1.312","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011294","13.386","0.003","3.75","0.001","14.35","0.003","90","","101.88","0.03","90","","704.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-pyrazoledicarboxylic acid monohydrate","","- C5 H6 N2 O5 -","- C5 H6 N2 O5 -","- C20 H24 N8 O20 -","4","1","BK1520","Ching, Nancy; Pan, Long; Huang, Xiaoying; Li, Jing","3,5-Pyrazoledicarboxylic acid monohydrate","Acta Crystallographica Section C","2000","56","9","1124","1125","10.1107/S0108270100007484","","","0.71073","MoKα","","0.0845","0.0401","","","","0.0792","","","","","","1.175","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011295","10.7364","0.0011","14.0507","0.0013","13.5546","0.0013","90","","105.104","0.002","90","","1974.1","0.3","298","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Chloro-(1,5-bis(2-hydroxybenzyl)-1,5-diazacyclooctane) cadmium(II)]","","- C20 H25 Cd Cl N2 O2 -","- C20 H25 Cd Cl N2 O2 -","- C80 H100 Cd4 Cl4 N8 O8 -","4","1","BK1538","Du, Miao; Weng, Lin-Hong; Leng, Xue-Bing; Bu, Xian-He; Zhang, Ruo-Hua","Chloro(2-{[5-(2-hydroxybenzyl-<i>O</i>)-1,5-diaza-1-cyclooctyl-<i>N</i>,<i>N</i>']methyl}phenolato-<i>O</i>)cadmium(II)","Acta Crystallographica Section C","2000","56","9","1090","1091","10.1107/S010827010000901X","","","0.71073","MoKα","","","0.0333","","","","0.0614","","","","","","0.935","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011296","7.9476","0.0002","11.5546","0.0003","29.4257","0.0008","90","","90","","90","","2702.2","0.12","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4'-Vinyl-2,2':6',2''-terpyridine","","- C17 H13 N3 -","- C17 H13 N3 -","- C136 H104 N24 -","8","1","BM1415","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","4'-Vinyl-2,2':6',2''-terpyridine","Acta Crystallographica Section C","2000","56","9","1142","1143","10.1107/S0108270100008295","","","0.71073","MoKα","","0.0747","0.0521","","","","0.147","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011297","9.577","0.004","9.972","0.004","7.602","0.004","106.11","0.03","95.12","0.03","78.22","0.03","682.4","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1-Methyl-3,5-di(N,N-dimethylaminomethylen)amino-4-nitropyrazol","","- C10 H17 N7 O2 -","- C10 H17 N7 O2 -","- C20 H34 N14 O4 -","2","1","BR1291","Chernyshev, Vladimir V.; Tafeenko, Victor A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","3,5-Bis[(<i>N</i>,<i>N</i>-dimethylamino)methyleneamino]-1-methyl-4-nitropyrazole from X-ray powder diffraction data","Acta Crystallographica Section C","2000","56","9","1159","1160","10.1107/S010827010000860X","","","1.54059","CuKα~1~","","","","","","","","","","2.67","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011298","4.9084","0.0002","13.6795","0.0007","9.0482","0.0004","90","","105.414","0.001","90","","585.68","0.05","299","2","299","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","strontium gallium borate hydroxide","","","- B4 Ga3 H O14 Sr3 -","- B4 Ga3 H O14 Sr3 -","- B8 Ga6 H2 O28 Sr6 -","2","0.5","BR1297","Barbier, Jacques; Park, Hyunsoo","A new orthoborate, Sr~3~Ga~3~(BO~3~)~4~O(OH)","Acta Crystallographica Section C","2000","56","9","1057","1058","10.1107/S0108270100009021","","","0.71073","MoKα","","0.0534","0.0348","","0.0804","","0.0735","","","1.055","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011299","10.5757","0.0006","15.0449","0.0008","14.771","0.0008","90","","92.954","0.001","90","","2347.1","0.2","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rubidium titanium polytelluride","","- Rb3 Te11 Ti3 -","- Rb3 Te11 Ti3 -","- Rb12 Te44 Ti12 -","4","1","BR1300","Huang, Fu Qiang; Ibers, James A.","Rb~3~Ti~3~Te~11~","Acta Crystallographica Section C","2000","56","9","1059","1061","10.1107/S0108270100009367","","","0.71073","MoKα","","0.0359","0.0281","","","","0.0658","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011300","8.461","0.002","15.653","0.003","14.269","0.003","90","","91.37","0.03","90","","1889.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tri(ethylenediamino)manganous telluride","","- C6 H24 Mn N6 Te4 -","- C6 H24 Mn N6 Te4 -","- C24 H96 Mn4 N24 Te16 -","4","1","DA1117","Chen, Zhen; Wang, Ru-Ji; Xiao-Ying Huang; Li, Jing","Molecular building blocks for solid-state chalcogenides: solvothermal synthesis of [Mn(en)~3~]Te~4~ and [Fe(en)~3~]~2~(Sb~2~Se~5~)","Acta Crystallographica Section C","2000","56","9","1100","1103","10.1107/S0108270100006879","","","0.71073","MoKα","","0.0731","0.0411","","","","0.0717","","","","","","1.343","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011301","15.774","0.003","11.739","0.002","18.239","0.004","90","","90","","90","","3377.3","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","di[tri(ethylenediamino)ferro] antimony selenide","","- C12 H48 Fe2 N12 Sb2 Se5 -","- C12 H48 Fe2 N12 Sb2 Se5 -","- C48 H192 Fe8 N48 Sb8 Se20 -","4","0.5","DA1117","Chen, Zhen; Wang, Ru-Ji; Xiao-Ying Huang; Li, Jing","Molecular building blocks for solid-state chalcogenides: solvothermal synthesis of [Mn(en)~3~]Te~4~ and [Fe(en)~3~]~2~(Sb~2~Se~5~)","Acta Crystallographica Section C","2000","56","9","1100","1103","10.1107/S0108270100006879","","","0.71073","MoKα","","0.182","0.0823","","","","0.1711","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011302","13.029","0.002","10.819","0.002","21.66","0.003","90","","99.16","0.01","90","","3014.3","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-methyl-4'-methoxy-4-stilbazolium tetraphenylborate","4-[2-(4-methoxyphenyl)ethenyl]-N-methylpyridinum tetraphenylborate","","- C39 H36 B N O -","- C39 H36 B N O -","- C156 H144 B4 N4 O4 -","4","1","DA1127","Li, Shu-Jin; Zhang, De-Chun; Huang, Zhong-Lin; Zhang, Yan-Qiu; Yu, Kai-Bei","4-[2-(4-Methoxyphenyl)ethenyl]-<i>N</i>-methylpyridinium tetraphenylborate","Acta Crystallographica Section C","2000","56","9","1122","1123","10.1107/S0108270100007538","","","0.71073","MoKα","","0.07","0.036","","","","0.088","","","","","","0.868","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011303","9.996","0.001","10.933","0.002","14.385","0.003","78.13","0.02","83.74","0.01","65.59","0.01","1400.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tert-butyloxycarbonyl-alpha-amino isobutyryl - beta-Alanyl - N, (N,N'-dicyclohexyl)-urea.","","- C25 H44 N4 O5 -","- C25 H44 N4 O5 -","- C50 H88 N8 O10 -","2","1","DE1142","Banerjee, Rahul; Maji, Samir Kumar; Banerjee, Arindam","<i>tert</i>-Butyl <i>N</i>-{2-[<i>N</i>-(<i>N</i>,<i>N</i>'-dicyclohexylureidocarbonylethyl)carbamoyl]prop-2-yl}carbamate","Acta Crystallographica Section C","2000","56","9","1120","1121","10.1107/S0108270100007447","","","1.5418","CuKα","","0.0576","0.0461","","","","0.139","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011304","7.571","0.004","9.486","0.006","10.528","0.004","85.72","0.04","71.16","0.04","76.94","0.05","697.1","0.7","293","","293","","","","","","","","","6","P -1","-P 1","2","","3-Methylthio-4-propargylthioquinolinium chloride monohydrate","","- C13 H14 Cl N O S2 -","- C13 H14 Cl N O S2 -","- C26 H28 Cl2 N2 O2 S4 -","2","1","DE1147","Boryczka, Stanisław; Steiner, Thomas","Hydrogen bonding in two salts of 3-methylthio-4-(propargylthio)quinoline","Acta Crystallographica Section C","2000","56","9","1139","1141","10.1107/S0108270100008271","","","0.71073","MoKα","","0.073","0.051","","","","0.146","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011305","19.43","0.011","5.338","0.003","36.66","0.03","90","","111.67","0.05","90","","3534","4","293","2","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-Methylthio-3-propargylthioquinolinium trichloroacetate","","- C15 H12 Cl3 N O2 S2 -","- C15 H12 Cl3 N O2 S2 -","- C120 H96 Cl24 N8 O16 S16 -","8","1","DE1147","Boryczka, Stanisław; Steiner, Thomas","Hydrogen bonding in two salts of 3-methylthio-4-(propargylthio)quinoline","Acta Crystallographica Section C","2000","56","9","1139","1141","10.1107/S0108270100008271","","","0.71073","MoKα","","0.093","0.056","","","","0.165","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011306","7.462","0.002","16.513","0.005","6.483","0.003","90","","115.32","0.02","90","","722.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","phenylglyoxylic acid","α-Oxobenzeneacetic acid","","- C8 H6 O3 -","- C8 H6 O3 -","- C32 H24 O12 -","4","1","FG1604","Chen, Chung-Der; Brunskill, Andrew P. J.; Hall, Stan S.; Lalancette, Roger A.; Thompson, Hugh W.","Phenyl- and mesitylglyoxylic acids: catemeric hydrogen bonding in two α-keto acids","Acta Crystallographica Section C","2000","56","9","1148","1151","10.1107/S010827010000812X","","","0.71073","MoKα","","0.114","0.059","","","","0.153","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011307","9.121","0.001","9.121","0.001","10.576","0.001","90","","90","","120","","761.97","0.14","248","2","248","2","","","","","","","","3","P 31","P 31","144","mesitylglyoxylic acid","α-oxo-2,4,6-trimethylbenzeneacetic acid","","- C11 H12 O3 -","- C11 H12 O3 -","- C33 H36 O9 -","3","1","FG1604","Chen, Chung-Der; Brunskill, Andrew P. J.; Hall, Stan S.; Lalancette, Roger A.; Thompson, Hugh W.","Phenyl- and mesitylglyoxylic acids: catemeric hydrogen bonding in two α-keto acids","Acta Crystallographica Section C","2000","56","9","1148","1151","10.1107/S010827010000812X","","","0.71073","MoKα","","0.088","0.049","","","","0.127","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011308","16.4393","0.0016","11.2773","0.0012","18.463","0.002","90","","90.14","0.009","90","","3422.9","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cl Ni O P2 -","- C40 H38 Cl Ni O P2 -","- C160 H152 Cl4 Ni4 O4 P8 -","4","1","FG1605","Ellis, Dianne D.; Spek, Anthony L.","Chlorobis(triphenylphosphine)nickel(I) tetrahydrofuran solvate and an unsolvated trigonal phase of chlorotris(triphenylphosphine)nickel(I)","Acta Crystallographica Section C","2000","56","9","1067","1070","10.1107/S0108270100008350","","","0.71073","MoKα","","0.053","0.0355","","","","0.096","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011309","19.0125","0.0008","19.0125","0.0008","10.4507","0.0007","90","","90","","120","","3271.6","0.3","150","2","150","2","","","","","","","","5","P 3","P 3","143","","","","- C54 H45 Cl Ni P3 -","- C54 H45 Cl Ni P3 -","- C162 H135 Cl3 Ni3 P9 -","3","1","FG1605","Ellis, Dianne D.; Spek, Anthony L.","Chlorobis(triphenylphosphine)nickel(I) tetrahydrofuran solvate and an unsolvated trigonal phase of chlorotris(triphenylphosphine)nickel(I)","Acta Crystallographica Section C","2000","56","9","1067","1070","10.1107/S0108270100008350","","","0.71073","MoKα","","0.0461","0.0307","","","","0.0662","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011310","8.571","0.0008","9.5382","0.0009","10.3449","0.0009","105.799","0.001","94.1123","0.0011","112.695","0.0013","735.72","0.12","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C28 H42 N2 O10 -","2","1","FR1265","Zhou, Peiwen; Fisher, James D.; Staples, Richard J.; Vij, Ashwani; Natale, Nicholas R.","Ethyl 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)isoxazole-3-carboxylate","Acta Crystallographica Section C","2000","56","9","1146","1147","10.1107/S0108270100008489","","","0.71073","MoKα","","0.054","0.047","","","","0.12","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011311","17.447","0.003","10.467","0.002","21.934","0.004","90","","102.77","0.01","90","","3906.5","1.2","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tris[(pentafluorophenyl)trimethylsilylamido](tetrahydrofuran)samarium(III)","","- C31 H35 F15 N3 O Si3 Sm -","- C31 H35 F15 N3 O Si3 Sm -","- C124 H140 F60 N12 O4 Si12 Sm4 -","4","1","FR1269","Click, Damon R.; Scott, Brian L.; Watkin, John G.","Tris[(pentafluorophenyl)trimethylsilylamido](tetrahydrofuran)samarium(III)","Acta Crystallographica Section C","2000","56","9","1095","1096","10.1107/S0108270100008775","","","0.71073","MoKα","","0.057","0.038","","","","0.101","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011312","6.652","0.002","10.616","0.004","11.038","0.004","66.18","0.01","88.2","0.01","85.61","0.02","711","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(±)-cis-2-(3-Oxo-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)- cyclohexanecarboxylic acid","","- C15 H20 O4 -","- C15 H20 O4 -","- C30 H40 O8 -","2","1","FR1276","Newman, Jacob M.; Thompson, Hugh W.; Lalancette, Roger A.","Two diastereomers of (±)-<i>cis</i>-2-(3-oxo-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)cyclohexanecarboxylic acid","Acta Crystallographica Section C","2000","56","9","1152","1154","10.1107/S0108270100008477","","","0.71073","MoKα","","0.059","0.038","","","","0.088","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011313","11.372","0.007","10.467","0.009","11.901","0.016","90","","91.11","0.07","90","","1416","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-cis-2-(3-Oxo-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)- cyclohexanecarboxylic acid","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","FR1276","Newman, Jacob M.; Thompson, Hugh W.; Lalancette, Roger A.","Two diastereomers of (±)-<i>cis</i>-2-(3-oxo-1,3,4,5,6,7-hexahydroisobenzofuran-1-yl)cyclohexanecarboxylic acid","Acta Crystallographica Section C","2000","56","9","1152","1154","10.1107/S0108270100008477","","","0.71073","MoKα","","0.131","0.065","","","","0.237","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011314","7.242","0.002","16.187","0.005","10.596","0.003","90","","109.7","0.01","90","","1169.4","0.6","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Trans-Dichlorodibenzylaminepalladium(II)","","- C18 H30 Cl2 N2 O2 Pd S2 -","- C18 H30 Cl2 N2 O2 Pd S2 -","- C36 H60 Cl4 N4 O4 Pd2 S4 -","2","0.5","FR1279","Decken, Andreas; Gisia L. Pisegna; Christopher M. Vogels; Stephen A. Westcott","<i>trans</i>-Bis(benzylamine)dichloropalladium(II) bis(dimethyl sulfoxide) solvate","Acta Crystallographica Section C","2000","56","9","1071","1072","10.1107/S0108270100008428","","","0.71073","MoKα","","0.0355","0.0256","","0.0641","","0.0594","","","1.093","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011315","9.9888","0.0011","15.5672","0.0009","10.905","0.0009","90","","107.841","0.007","90","","1614.2","0.2","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","benzo,cis-cyclohexano-14-crown-4","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","FR1290","Bryan, Jeffrey C.; Sachleben, Richard A.","Benzo-<i>cis</i>-cyclohexano-14-crown-4 and its lithium thiocyanate complex","Acta Crystallographica Section C","2000","56","9","1104","1106","10.1107/S0108270100009033","","","0.71073","MoKα","","0.055","0.037","","","","0.1","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011316","9.3885","0.0008","23.96","0.003","17.744","0.002","90","","102.507","0.008","90","","3896.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","benzo,cis-cyclohexano-14-crown-4 lithium thiocyanate","","","- C19 H26 Li N O4 S -","- C19 H26 Li N O4 S -","- C152 H208 Li8 N8 O32 S8 -","8","2","FR1290","Bryan, Jeffrey C.; Sachleben, Richard A.","Benzo-<i>cis</i>-cyclohexano-14-crown-4 and its lithium thiocyanate complex","Acta Crystallographica Section C","2000","56","9","1104","1106","10.1107/S0108270100009033","","","0.71073","MoKα","","0.093","0.048","","","","0.135","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011317","17.76","0.009","32.336","0.011","7.9664","0.0006","90","","90","","90","","4575","3","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","9-(n-dodecylaminomethyl)anthracene","","- C27 H37 N -","- C27 H37 N -","- C216 H296 N8 -","8","1","GD1095","Ramos Silva, M.; Matos Beja, A.; Paixao, J. A.; Alte da Veiga, L.; Sobral, A. J. F. N.; Rebanda, N. G. C. L.; Rocha Gonsalves, A. M. dA.","C—H···π interactions in 9-(<i>n</i>-dodecylaminomethyl)anthracene","Acta Crystallographica Section C","2000","56","9","1136","1138","10.1107/S0108270100008441","","","1.54056","CuKα","","0.0792","0.0556","","","","0.1872","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011318","7.852","0.003","15.962","0.005","11.951","0.004","90","","105.48","0.03","90","","1443.5","0.9","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","(2-Carbamoylethyl)bis(dimethylglyoximato) [(R)-1-(1-naphthyl)ethylamine]cobalt(III)","","- C25 H39 Co N6 O6 -","- C25 H39 Co N6 O6 -","- C50 H78 Co2 N12 O12 -","2","1","GD1103","Ohgo, Yoshiki; Ohashi, Yuji; Hagiwara, Mieko; Shida, Mitsuru; Arai, Yoshifusa; Takeuchi, Seiji; Ohgo, Yoshiaki","(2-Carbamoylethyl)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')[(<i>R</i>)-1-(1-naphthyl)ethylamine]cobalt(III) ethanol solvate and bis(dimethylglyoximato-<i>N</i>,<i>N</i>')[2-(<i>N</i>-methylcarbamoyl)ethyl][methyl (<i>S</i>)-phenylalaninate-<i>N</i>]cobalt(III)","Acta Crystallographica Section C","2000","56","9","1062","1064","10.1107/S010827010000826X","","","0.71073","MoKα","","0.0619","0.0539","","","","0.1238","","","","","","1.12","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011319","11.097","0.004","10.914","0.003","11.178","0.004","90","","91.5","0.03","90","","1353.3","0.8","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(dimethylglyoximato) [2-(methylcarbamoyl)ethyl][methyl (S)-phenylalaninate]cobalt(III)","","- C22 H35 Co N6 O7 -","- C22 H35 Co N6 O7 -","- C44 H70 Co2 N12 O14 -","2","1","GD1103","Ohgo, Yoshiki; Ohashi, Yuji; Hagiwara, Mieko; Shida, Mitsuru; Arai, Yoshifusa; Takeuchi, Seiji; Ohgo, Yoshiaki","(2-Carbamoylethyl)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')[(<i>R</i>)-1-(1-naphthyl)ethylamine]cobalt(III) ethanol solvate and bis(dimethylglyoximato-<i>N</i>,<i>N</i>')[2-(<i>N</i>-methylcarbamoyl)ethyl][methyl (<i>S</i>)-phenylalaninate-<i>N</i>]cobalt(III)","Acta Crystallographica Section C","2000","56","9","1062","1064","10.1107/S010827010000826X","","","0.71073","MoKα","","0.0542","0.0461","","","","0.1359","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011320","4.9992","0.0008","12.694","0.003","16.442","0.003","90","","93.54","0.01","90","","1041.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-chlorophenyl)-2-cyano-2,3-epoxypropanamide","","- C10 H7 Cl N2 O2 -","- C10 H7 Cl N2 O2 -","- C40 H28 Cl4 N8 O8 -","4","1","GD1105","Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald","From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides","Acta Crystallographica Section C","2000","56","9","1164","1167","10.1107/S0108270100008623","","","0.71073","MoKα","","0.0683","0.0478","","","","0.1515","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011321","5.934","0.003","33.653","0.006","6.177","0.001","90","","107.12","0.03","90","","1178.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3-bromo-2-cyano-3-(4-methylphenyl)-2-hydroxypropanamide","","- C11 H11 Br N2 O2 -","- C11 H11 Br N2 O2 -","- C44 H44 Br4 N8 O8 -","4","1","GD1105","Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald","From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides","Acta Crystallographica Section C","2000","56","9","1164","1167","10.1107/S0108270100008623","","","0.71073","MoKα","","0.0831","0.0401","","","","0.1081","","","","","","0.971","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011322","22.614","0.005","10.257","0.002","10.099","0.002","90","","114.32","0.03","90","","2134.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-bromo-3-(4-metylphenyl)-2-oxopropanamide","","- C10 H10 Br N O2 -","- C10 H10 Br N O2 -","- C80 H80 Br8 N8 O16 -","8","1","GD1105","Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald","From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides","Acta Crystallographica Section C","2000","56","9","1164","1167","10.1107/S0108270100008623","","","0.71073","MoKα","","0.0635","0.0387","","","","0.1091","","","","","","0.973","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011323","5.526","0.001","29.989","0.006","5.997","0.001","90","","107.96","0.03","90","","945.4","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3-chloro-3-phenyl-2,2-dihydroxypropanamide","","- C9 H10 Cl N O3 -","- C9 H10 Cl N O3 -","- C36 H40 Cl4 N4 O12 -","4","1","GD1105","Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald","From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides","Acta Crystallographica Section C","2000","56","9","1164","1167","10.1107/S0108270100008623","","","0.71073","MoKα","","0.0344","0.0278","","","","0.0634","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011324","17.382","0.0007","6.7257","0.0003","23.9374","0.0009","90","","95.368","0.002","90","","2786.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-Diazabicyclo[2.2.2]octane‒5-hydroxyisophthalic acid (1/1)","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C112 H144 N16 O40 -","8","1","GG1007","Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Threefold interweaving of (4,4) nets built from <i>R</i>{_<b>10</b>^<b>10</b>}(58) rings in the hydrogen-bonded adduct 1,4-diazabicyclo[2.2.2]octane‒5-hydroxyisophthalic acid (1/1)","Acta Crystallographica Section C","2000","56","9","1126","1128","10.1107/S010827010000771X","","","0.71073","MoKα","","0.063","0.046","","","","0.121","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011325","8.2107","0.0003","9.3093","0.0004","26.8707","0.0009","90","","90","","90","","2053.89","0.13","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl2 N2 Ru -","- C21 H30 Cl2 N2 Ru -","- C84 H120 Cl8 N8 Ru4 -","4","1","","Aitali, Mustapha; El Firdoussi, Larbi; Karim, Abdellah; Barrero, Alejandro F.; Quirós, Miguel","A ruthenium(II) complex with p-cymene and (S)-2-anilinoethylpyrrolidine","Acta Crystallographica, Section C","2000","56","","1088","1089","10.1107/S0108270100008787","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2011326","6.6157","0.0011","9.654","0.004","10.748","0.004","101.96","0.03","90.13","0.03","104.29","0.03","649.7","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","Bis(μ~2~-chloro)-bis-[1,2,3,3-(4-oxo-6,6-dimethyl-1-ethoxycarbonyl)- hexenyl]-palladium (II)","","- C22 H34 Cl2 O6 Pd2 -","- C22 H34 Cl2 O6 Pd2 -","- C22 H34 Cl2 O6 Pd2 -","1","0.5","GG1012","Spek, Anthony L.; Canisius, Johannes; Preut, Hans; Krause, Norbert","The allyl complex di-μ-chloro-bis{[(1,2,3-η)-4-oxo-5,5-dimethyl-1-(ethoxycarbonyl)hexenyl]palladium(II)}","Acta Crystallographica Section C","2000","56","9","1065","1066","10.1107/S0108270100008799","","","0.71073","MoKα","","0.0187","0.0179","","","","0.0439","","","","","","1.119","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011327","6.3914","0.0005","9.0264","0.0006","26.9292","0.0019","90","","90","","90","","1553.58","0.19","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","GG1013","Ellis, Dianne D.; Spek, Anthony L.","(2<i>R</i>,3<i>R</i>,5<i>R</i>)-2-[(2<i>R</i>,3a<i>S</i>,6a<i>R</i>)-2,3,3a,4,5,6a-Hexahydrofuro[2,3-<i>b</i>]furan-2-yl]-5-isopropenyl-2,3-dimethylcyclohexanone and (4a<i>R</i>,5<i>S</i>,7<i>R</i>)-5-isopropenyl-7,8,8-trimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalene-4a-carbonitrile","Acta Crystallographica Section C","2000","56","9","1173","1175","10.1107/S0108270100008805","","","0.71073","MoKα","","0.0748","0.048","","","","0.1137","","","","","","0.951","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011328","8.3419","0.0009","12.3902","0.001","14.4052","0.0014","90","","90","","90","","1488.9","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O -","- C17 H23 N O -","- C68 H92 N4 O4 -","4","1","GG1013","Ellis, Dianne D.; Spek, Anthony L.","(2<i>R</i>,3<i>R</i>,5<i>R</i>)-2-[(2<i>R</i>,3a<i>S</i>,6a<i>R</i>)-2,3,3a,4,5,6a-Hexahydrofuro[2,3-<i>b</i>]furan-2-yl]-5-isopropenyl-2,3-dimethylcyclohexanone and (4a<i>R</i>,5<i>S</i>,7<i>R</i>)-5-isopropenyl-7,8,8-trimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalene-4a-carbonitrile","Acta Crystallographica Section C","2000","56","9","1173","1175","10.1107/S0108270100008805","","","0.71073","MoKα","","0.0874","0.0503","","","","0.1047","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011329","7.0044","0.0005","11.182","0.001","6.3971","0.0008","102.978","0.008","104.697","0.004","74.017","0.008","459.42","0.08","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C5 H9 N2 Na O6 -","- C5 H9 N2 Na O6 -","- C10 H18 N4 Na2 O12 -","2","1","GS1079","Muthuraman, Meiyappan; Nicoud, Jean-François; Bagieu-Beucher, Muriel","Sodium 5-nitro-2-pyridonate trihydrate","Acta Crystallographica Section C","2000","56","9","1077","1078","10.1107/S0108270100009045","","","0.5608","AgKα","","0.0514","0.051","","0.057","","0.057","","","1.908","","","1.91","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011330","5.674","0.0014","11.699","0.006","33.534","0.0015","90","","90","","90","","2226","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,6-Anhydro-2,3-di-O-Benzyl-5C-(Carbethoxy-1(R)-hydroxymethyl)-L-altrofuranose","1,6-Anhydro-2,3-di-O-benzyl-5C-[(R)-ethoxycarbonyl(hydroxy)methyl]-L- altrofuranose","","- C24 H28 O8 -","- C24 H28 O8 -","- C96 H112 O32 -","4","1","GS1095","Taillefumier, Claude; Charron, Christophe; Chapleur, Yves; Aubry, Andre","1,6-Anhydro-2,3-di-<i>O</i>-benzyl-5<i>C</i>-[(<i>R</i>)-ethoxycarbonyl(hydroxy)methyl]-β-<small>L</small>-altrofuranose","Acta Crystallographica Section C","2000","56","9","1168","1169","10.1107/S0108270100008702","","","1.5418","CuKα","","0.064","0.051","","","","0.148","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011331","7.8783","0.0002","10.4689","0.0001","16.068","0.0004","90","","95.147","0.001","90","","1319.9","0.05","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H17 Al N2 O8 P2 -","- C5 H17 Al N2 O8 P2 -","- C20 H68 Al4 N8 O32 P8 -","4","1","GS1096","Phan Thanh, S.; Marrot, J.; Renaudin, J.; Maisonneuve, V.","[H~3~N(CH~2~)~5~NH~3~].AlP~2~O~8~H, a one-dimensional aluminophosphate","Acta Crystallographica, Section C","2000","56","9","1073","1074","10.1107/S0108270100008532","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011332","11.623","0.002","13.426","0.003","15.156","0.002","76.44","0.01","71.3","0.01","75.16","0.02","2135.3","0.7","303","2","303","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H33 Br4 Cl2 Fe2 N5 O6 -","- C43 H33 Br4 Cl2 Fe2 N5 O6 -","- C86 H66 Br8 Cl4 Fe4 N10 O12 -","2","1","GS1097","Elmali, Ayhan; Kavlakoglu, Ebru; Elerman, Yalc̨ın; Svoboda, Ingrid","A complex containing both five- and six-coordinate [bis(5-bromosalicylidene)benzene-1,2-diimine]chloroiron(III)","Acta Crystallographica Section C","2000","56","9","1097","1099","10.1107/S0108270100008714","","","0.71093","MoKα","","0.037","0.037","","","","0.121","","","","","","1.014","","","","has coordinates,has Fobs","199470","2020-10-21","18:00:00",""
"2011333","10.914","0.001","21.758","0.001","32.774","0.001","90","","90","","90","","7782.7","0.8","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","Bis-(12-Krone-4)-cadmium-bispentaiodid","Bis-(1,3,5,7-Tetraoxacyclododecan)-cadmium-bis-pentaiodid","","- C16 H32 Cd I10 O8 -","- C16 H32 Cd I10 O8 -","- C128 H256 Cd8 I80 O64 -","8","0.25","JZ1406","Wieczorrek, Carsten","Isolierte I~10~^2{-^}-Ringe, ein neues Strukturelement in der Polyiodid-Chemie","Acta Crystallographica Section C","2000","56","9","1082","1084","10.1107/S0108270100008817","","","0.7107","MoKα","","0.034","0.0313","","0.0643","","0.063","","","1.086","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011334","14.742","0.001","14.742","","17.791","0.001","90","","90","","90","","3866.5","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","Tris-Ethylendiamin-zinktetraiodid","Tris(1,2-ethandiamin)zinktriiodid-iodid","","- C6 H24 I4 N6 Zn -","- C6 H24 I4 N6 Zn -","- C48 H192 I32 N48 Zn8 -","8","0.5","JZ1409","Wieczorrek, Carsten","Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und Nickel","Acta Crystallographica Section C","2000","56","9","1079","1081","10.1107/S0108270100008829","","","0.71073","MoKα","","0.0218","0.0196","","","","0.042","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011335","14.67","0.001","14.67","","17.754","0.002","90","","90","","90","","3820.8","0.5","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","Tris-Ethylendiamin-nickeltetraiodid","Tris(1,2-diaminoethan)nickeltriiodid-iodid","","- C6 H24 I4 N6 Ni -","- C6 H24 I4 N6 Ni -","- C48 H192 I32 N48 Ni8 -","8","0.5","JZ1409","Wieczorrek, Carsten","Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und Nickel","Acta Crystallographica Section C","2000","56","9","1079","1081","10.1107/S0108270100008829","","","0.71073","MoKα","","0.0452","0.0276","","","","0.0516","","","","","","0.905","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011336","7.49","0.002","13.4","0.003","18.639","0.006","90","","90","","90","","1870.7","0.9","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","[Bis-Ethylendiamin-kupfer]bis-triiodid","[Bis-1,2-Diaminoethan-kupfer]bis-triiodid","","- C4 H16 Cu I6 N4 -","- C4 H16 Cu I6 N4 -","- C16 H64 Cu4 I24 N16 -","4","0.25","JZ1410","Wieczorrek, Carsten","Bis-Triiodide von 1,2-Ethandiaminkomplexen am Beispiel des Metalls Kupfer","Acta Crystallographica Section C","2000","56","9","1085","1087","10.1107/S0108270100008830","","","0.71073","MoKα","","0.0487","0.0391","","","","0.0906","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011337","9.684","0.0008","5.2868","0.0008","12.8212","0.0007","90","","106.47","0.006","90","","629.48","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Chloro-1-(4-morpholinyl-5-nitroimidazol-1-yl)propan-2-ol","","- C10 H15 Cl N4 O4 -","- C10 H15 Cl N4 O4 -","- C20 H30 Cl2 N8 O8 -","2","1","JZ1415","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 44. Über Morpholinonitroimidazolderivate","Acta Crystallographica Section C","2000","56","9","1161","1163","10.1107/S0108270100008635","","","1.54178","CuKα","","0.026","0.025","","","","0.072","","","","","","1.038","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011338","6.5036","0.0008","7.8493","0.0009","12.9757","0.0014","91.101","0.009","101.026","0.01","101.94","0.01","634.91","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Chloro-1-(5-morpholinyl-4-nitroimidazol-1-yl)propan-2-ol","","- C10 H15 Cl N4 O4 -","- C10 H15 Cl N4 O4 -","- C20 H30 Cl2 N8 O8 -","2","1","JZ1415","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 44. Über Morpholinonitroimidazolderivate","Acta Crystallographica Section C","2000","56","9","1161","1163","10.1107/S0108270100008635","","","1.54178","CuKα","","0.048","0.041","","","","0.122","","","","","","1.054","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011339","11.4056","0.0002","12.2501","0.0001","13.1746","0.0003","90","","91.497","0.001","90","","1840.12","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-(benzoylamino)-3,4,6,7,9,10-hexahydro-1,8-(2H,5H)-acridinedione (I)","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","1","KA1336","Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Rajan, T. Joseph; Ramakrishnan, V.T.","Two benzoylaminoacridinedione derivatives","Acta Crystallographica Section C","2000","56","9","1109","1112","10.1107/S0108270199016455","","","0.71073","MoKα","","0.0842","0.0561","","","","0.167","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011340","23.2343","0.001","13.8327","0.0006","16.3286","0.0007","90","","132.14","0.001","90","","3891.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","10-(4-methylbenzoylamino)-3,4,6,7,9,10-hexahydro-1,8-(2H,5H)-acridinedione(II)","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C168 H192 N16 O32 -","8","1","KA1336","Jeyakanthan, J.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Rajan, T. Joseph; Ramakrishnan, V.T.","Two benzoylaminoacridinedione derivatives","Acta Crystallographica Section C","2000","56","9","1109","1112","10.1107/S0108270199016455","","","0.71073","MoKα","","0.0705","0.0553","","","","0.1897","","","","","","0.945","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011341","11.255","0.015","6.865","0.0013","11.953","0.0012","90","","104.15","0.02","90","","895.5","1.2","293","","293","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","6,12-Dihydro-2,8-dihydroxy-1,3,7,9-tetramethyl-dipyrido[1,2-a:1',2'-d] pyrazinediylium dichloride dihydrate","","- C16 H24 Cl2 N2 O4 -","- C16 H18 Cl2 N2 O4 -","- C32 H36 Cl4 N4 O8 -","2","0.25","NA1479","Košutić-Hulita, Nada; Danilovski, Aleksandar; Malešević, Miroslav; Orešić, Marina; Dumić, Miljenko","2,8-Dihydroxy-1,3,7,9-tetramethyl-6,12-dihydrodipyrido[1,2-<i>a</i>:1',2'-<i>d</i>]pyrazinediylium dichloride dihydrate","Acta Crystallographica Section C","2000","56","9","1144","1145","10.1107/S0108270100008313","","","0.71073","MolybdenumKα","","0.0594","0.0477","","","","0.1685","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011342","11.665","0.002","7.4718","0.0011","16.2794","0.0015","90","","106.666","0.014","90","","1359.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(3-Carboxy-phenyl)-2-hydroxy-1-naphthaldimine","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C72 H52 N4 O12 -","4","1","OB1032","Pavlović, Gordana; Matijević Sosa, Julija","3-[(2-Oxo-1-naphthylidene)methylamino]benzoic acid","Acta Crystallographica Section C","2000","56","9","1117","1119","10.1107/S0108270100007290","","","0.71073","MoKα","","0.1332","0.046","","","","0.117","","","","","","0.944","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011343","10.1958","0.0015","9.9753","0.001","13.1655","0.0019","90","","90.695","0.017","90","","1338.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[(H2NC2H4NH2)(H3NC2H4NH3)2][Ge9O18(OH)4]","","","- C6 H32 Ge9 N6 O22 -","- C6 H32 Ge9 N6 O22 -","- C12 H64 Ge18 N12 O44 -","2","0.5","OS1114","Sun, Kai; Dadachov, Mike S.; Conradsson, Tony; Zou, Xiaodong","A three-dimensional open-framework germanate containing four-, five- and six-coordinated germanium","Acta Crystallographica Section C","2000","56","9","1092","1094","10.1107/S0108270100009057","","","0.71073","MoKα","","0.0406","0.0268","","","","0.0579","","","","","","0.958","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011344","13.594","0.002","14.808","0.003","5.611","0.0015","90.089","0.017","98.13","0.018","83.505","0.014","1110.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","α-(4-Chlorophenyl)-N-phenylnitrone","N-(p-Chlorobenzylidene)phenylamine N-oxide","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","2","QA0266","Vijayalakshmi, L.; Parthasarathi, V.; Manishanker, P.","<i>N</i>-(<i>p</i>-Chlorobenzylidene)phenylamine <i>N</i>-oxide","Acta Crystallographica Section C","2000","56","9","e403","e404","10.1107/S0108270100010544","","","0.71069","MoKα","","0.054","0.036","","","","0.115","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011345","7.814","0.005","11.561","0.003","18.58","0.007","90","","101.96","0.04","90","","1642","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-methyl-4(2-napthyl)ethenyl-3-cyano-1-benzopyran-2-one.","","- C23 H15 N O2 -","- C23 H15 N O2 -","- C92 H60 N4 O8 -","4","1","QA0319","Vijayalakshmi, L.; Parthasarathi, V.; Varu, Bharat; Dodia, Narasinh; Shah, Anamik","3-Cyano-6-methyl-4-(2-naphthylethenyl)-1-benzopyran-2-one","Acta Crystallographica Section C","2000","56","9","e401","e402","10.1107/S0108270100010532","","","0.71073","MoKα","","0.067","0.042","","","","0.144","","","","","","0.831","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011346","11.372","0.003","8.042","0.002","15.621","0.009","90","","104.71","0.02","90","","1381.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(1-methylguanidinium) Tetrachlorocuprate(II)","","- C4 H16 Cl4 Cu N6 -","- C4 H16 Cl4 Cu N6 -","- C16 H64 Cl16 Cu4 N24 -","4","0.5","QA0332","Corzo-Suárez, Raúl; Díaz, Isabel; García-Granda, Santiago; Fernández, Vicente","Bis(1-methylguanidinium) tetrachlorocuprate(II) and 4-(2-pyrimidin-1-io)piperazinium tetrachlorocuprate(II)","Acta Crystallographica Section C","2000","56","9","e385","e387","10.1107/S0108270100011045","","","0.71073","MoKα","","0.075","0.04","","","","0.117","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011347","9.205","0.007","16.13","0.03","9.391","0.007","90","","99.24","0.06","90","","1376","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-pyrimidinyl)-piperazine Tetrachlorocuprate(II)","","- C8 H14 Cl4 Cu N4 -","- C8 H14 Cl4 Cu N4 -","- C32 H56 Cl16 Cu4 N16 -","4","1","QA0332","Corzo-Suárez, Raúl; Díaz, Isabel; García-Granda, Santiago; Fernández, Vicente","Bis(1-methylguanidinium) tetrachlorocuprate(II) and 4-(2-pyrimidin-1-io)piperazinium tetrachlorocuprate(II)","Acta Crystallographica Section C","2000","56","9","e385","e387","10.1107/S0108270100011045","","","0.71073","MoKα","","0.085","0.051","","","","0.135","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011348","12.553","0.001","14.4169","0.0009","13.2205","0.0009","90","","94.377","0.007","90","","2385.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-(μ~2~-4,4'-bipyridine)(1,10-phenanthroline)(diperchlorato)copper(II) monohydrate","","- C22 H18 Cl2 Cu N4 O9 -","- C22 H18 Cl2 Cu N4 O9 -","- C88 H72 Cl8 Cu4 N16 O36 -","4","1","QA0341","Tong, Ming-Liang; Chen, Xiao-Ming; Ng, Seik Weng","<i>catena</i>-Poly[[[bis(perchlorato-<i>O</i>)(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II)]-μ-4,4'-bipyridine-<i>N</i>:<i>N</i>'] monohydrate]","Acta Crystallographica Section C","2000","56","9","e374","e375","10.1107/S0108270100011057","","","0.71073","MoKα","","0.098","0.061","","","","0.173","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011349","20.0177","0.001","15.7193","0.0008","12.9074","0.0007","90","","103.235","0.001","90","","3953.6","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Co(tren)(dmso)Cl](ClO~4~)~2~","chloro tris-(2-aminoethyl)amine (dimethyl sulfoxide-O)- cobalt (III) perchlorate","","- C8 H24 Cl3 Co N4 O9 S -","- C8 H24 Cl3 Co N4 O9 S -","- C64 H192 Cl24 Co8 N32 O72 S8 -","8","2","QA0349","Hu, Xiaopeng; Feng, Xiaolong; Cai, Jiwen; Ji, Liangnian","[Tris(2-aminoethyl)amine-κ^4^<i>N</i>]chloro(dimethyl sulfoxide-<i>O</i>)cobalt(III) diperchlorate","Acta Crystallographica Section C","2000","56","9","e388","e389","10.1107/S0108270100011069","","","0.71073","MoKα","","0.061","0.044","","","","0.13","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011350","9.682","0.005","18.654","0.005","8.977","0.005","90","","90","","90","","1621.3","1.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 S2 -","- C15 H20 O4 S2 -","- C60 H80 O16 S8 -","4","1","QA0358","Kubo, Kanji; Mori, Akira; Kato, Nobuo; Takeshita, Hitoshi","5,8,11-Trioxa-2,14-dithiabicyclo[13.4.1]icosa-1(19),15,17-trien-20-one","Acta Crystallographica Section C","2000","56","9","e396","e397","10.1107/S0108270100010489","","","0.71073","MoKα","","0.087","0.04","","","","0.102","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011351","13.0959","0.0012","15.3703","0.0013","8.7107","0.0003","90","","108.86","0.004","90","","1659.2","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-benzylideneaniline(pentacarbonyl)chromium(0)","","- C18 H11 Cr N O5 -","- C18 H11 Cr N O5 -","- C72 H44 Cr4 N4 O20 -","4","1","QA0362","Nieger, Martin; Liptau, Patrick; Dötz, Karl Heinz","[<i>N</i>-(Benzylidene)aniline-<i>N</i>]pentacarbonylchromium(0)","Acta Crystallographica Section C","2000","56","9","e390","e391","10.1107/S0108270100011070","","","0.71073","MoKα","","0.054","0.037","","","","0.095","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011352","6.004","0.002","7.675","0.004","45.564","0.003","90","","90","","90","","2099.6","1.3","143","2","143","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O8 -","- C21 H25 N O8 -","- C84 H100 N4 O32 -","4","1","QA0363","Gainsford, Graeme J.; Tyler, Peter C.; Furneaux,Richard H.","1,7,8-Tri-<i>O</i>-acetyl-6-<i>O</i>-benzoylcastanospermine","Acta Crystallographica Section C","2000","56","9","e394","e395","10.1107/S0108270100010477","","","0.71073","MoKα","","0.048","0.048","","","","0.093","","","","","","1.126","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011353","13.4832","0.0002","19.634","0.0002","20.3112","0.0003","90","","98.634","0.0008","90","","5316.03","0.12","273.2","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H59 F6 O4 P5 Ru -","- C56 H59 F6 O4 P5 Ru -","- C224 H236 F24 O16 P20 Ru4 -","4","0.5","QA0364","Lucas, Nigel T.; Powell, Clem E.; Humphrey, Mark G.","<i>cis</i>,<i>cis</i>,<i>cis</i>-(Acetato-<i>O</i>,<i>O</i>')bis[1,2-bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']ruthenium(II) hexafluorophosphate dimethanol solvate","Acta Crystallographica Section C","2000","56","9","e392","e393","10.1107/S0108270100011082","","","0.7107","MoKα","","0.059","0.035","","0.046","","0.039","","","0.939","","","0.949","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011354","9.7567","0.0003","10.344","0.0003","17.0684","0.0006","90","","90","","90","","1722.6","0.09","291","1","291","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","QA0370","Uerdingen, Marc; Schürmann, Markus; Preut, Hans; Krause, Norbert","3,17-Dioxoandrosta-4,6-dien-11-yl acetate","Acta Crystallographica Section C","2000","56","9","e415","e415","10.1107/S0108270100011094","","","0.71073","MoKα","","0.097","0.035","","","","0.078","","","","","","0.933","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011355","11.353","0.005","22.134","0.005","5.897","0.007","90","","90","","90","","1481.8","1.9","296","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-Kynulenine sulfate dihydrate","","- C10 H18 N2 O9 S -","- C10 H18 N2 O9 S -","- C40 H72 N8 O36 S4 -","4","1","QA0372","Okabe, Nobuo; Eguchi, Yoko; Miura, Junko; Akiko, Shimosaki","<small>L</small>-Kynureninium sulfate dihydrate","Acta Crystallographica Section C","2000","56","9","e416","e417","10.1107/S0108270100011100","","","0.71069","MoKα","","","0.0565","","","","0.1629","","","","","","1.153","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011356","6.88","0.002","8.201","0.003","9.298","0.002","90","","105.59","0.01","90","","505.3","0.3","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 Cl N O -","- C3 H6 Cl N O -","- C12 H24 Cl4 N4 O4 -","4","1","QA0373","Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro","3-Chloropropionamide","Acta Crystallographica Section C","2000","56","9","e413","e413","10.1107/S0108270100011112","","","0.7107","MoKα","","","0.0354","","","","0.1085","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011357","11.253","0.004","5.74","0.006","17.782","0.006","90","","98.19","0.03","90","","1136.9","1.3","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","sp-9-Acetylfluorene","","- C15 H12 O -","- C15 H12 O -","- C60 H48 O4 -","4","1","QA0375","Meyers, Cal Y.; Lutfi, Hisham G.; Robinson, Paul D.","<i>sp</i>-9-Acetylfluorene, the initial acetylation product of 9-fluorenyllithium","Acta Crystallographica Section C","2000","56","9","e418","e419","10.1107/S0108270100011124","","","0.71069","MoKα","","0.134","0.045","","","","0.156","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011358","7.0911","0.0001","12.2566","0.0002","20.5272","0.0004","90","","90","","90","","1784.08","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(6-amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)- N-[β-D-glucopyranosyl]acetamide","","- C13 H24 N4 O10 -","- C13 H24 N4 O10 -","- C52 H96 N16 O40 -","4","1","QA0376","Low, John Nicolson; Molina, Sebastián; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo","<i>N</i>-(6-Amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-<i>N</i>-(β-<small>D</small>-glucopyranosyl)acetamide","Acta Crystallographica Section C","2000","56","9","e420","e420","10.1107/S0108270100011148","","","0.71073","MoKα","","0.045","0.039","","","","0.1","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011359","14.409","0.002","16.489","0.003","19.267","0.003","90","","90","","90","","4577.6","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Clarithromycin Hydrochloride 3.5 Hydrate","6-O-Methylerythromycin A Hydrochloride 3.5 Hydrate","","- C38 H77 Cl N O16.5 -","- C38 H77 Cl N O16.5 -","- C152 H308 Cl4 N4 O66 -","4","1","QD0001","Parvez, Masood; Arayne, M. Saeed; Sabri, Rizwana; Sultana, Najma; 6-O-Methylerythromycin A Hydrochloride 3.5 Hydrate","Clarithromycin hydrochloride 3.5-hydrate","Acta Crystallographica Section C","2000","56","9","e398","e399","10.1107/S0108270100010490","","","1.54178","CuKα","","0.109","0.058","","","","0.15","","","","","","1.05","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2011360","7.721","0.002","8.905","0.005","11.231","0.004","97.57","0.04","105.69","0.03","103.6","0.03","706.7","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-(2,6-dimethoxyphenyl)-4H-1-benzopyran-4-one","","- C17 H14 O4 -","- C17 H14 O4 -","- C34 H28 O8 -","2","1","QD0002","Wallet, J.-C.; Molins, Elies; Miravitlles, Carlos","A second triclinic modification of 2',6'-dimethoxyflavone","Acta Crystallographica Section C","2000","56","9","e414","e414","10.1107/S0108270100011008","","","0.71073","MoKα","","0.203","0.055","","","","0.143","","","","","","0.917","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011361","11.1807","0.0011","11.626","0.003","11.7904","0.0016","112.119","0.013","103.677","0.01","96.013","0.014","1347.2","0.5","289","2","289","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Cl4 N4 Ni2 O9 -","- C16 H32 Cl4 N4 Ni2 O9 -","- C32 H64 Cl8 N8 Ni4 O18 -","2","1","QD0003","Sung, Nack-Do; Yun, Ki-Seob; Kim, Jin-Gyu; Suh, Il-Hwan","μ-Aqua-pentaaqua[μ-3,6-bis(6-methyl-2-pyridyl)pyridazine]chlorodinickel(II) trichloride trihydrate","Acta Crystallographica Section C","2000","56","9","e370","e371","10.1107/S0108270100010507","","","0.71073","MoKα","","0.044","0.032","","","","0.08","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011362","12.369","0.002","7.6809","0.0003","15.332","0.003","90","","101.842","0.009","90","","1425.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(2,4,6-Trimethyl)phenylazo(3,5-dimethyl)phenol","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C68 H80 N8 O4 -","4","1","QD0004","Lynch, Daniel E.; Byriel, Karl A.","3,5-Dimethyl-4-(2,4,6-trimethylphenyldiazenyl)phenol","Acta Crystallographica Section C","2000","56","9","e400","e400","10.1107/S0108270100010519","","","0.71073","MoKα","","0.073","0.042","","","","0.127","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011363","7.0127","0.0011","12.524","0.002","14.477","0.003","90","","90","","90","","1271.5","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 O4 S -","- C14 H8 N2 O4 S -","- C56 H32 N8 O16 S4 -","4","1","QD0005","Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A.","2-[2-(5-Nitro-2-thienyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one","Acta Crystallographica Section C","2000","56","9","e408","e409","10.1107/S010827010001057X","","","0.71073","MoKα","","0.119","0.051","","0.142","","0.1","","","0.963","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011364","14.627","0.003","7.491","0.002","12.344","0.005","90","","98.71","0.03","90","","1336.9","0.7","213","2","213","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H10 N2 O4 -","- C16 H10 N2 O4 -","- C64 H40 N8 O16 -","4","1","QD0005","Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A.","2-[2-(5-Nitro-2-thienyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one","Acta Crystallographica Section C","2000","56","9","e408","e409","10.1107/S010827010001057X","","","0.71073","MoKα","","0.149","0.081","","0.289","","0.178","","","1.166","","","1.545","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011365","6.8484","0.001","7.2348","0.0014","16.806","0.003","93.801","0.015","96.783","0.013","105.321","0.013","793.3","0.2","208","2","208","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O6 -","- C18 H14 N2 O6 -","- C36 H28 N4 O12 -","2","1","QD0005","Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A.","2-[2-(5-Nitro-2-thienyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one","Acta Crystallographica Section C","2000","56","9","e408","e409","10.1107/S010827010001057X","","","0.71073","MoKα","","0.12","0.045","","0.143","","0.101","","","1.024","","","1.108","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011366","49.542","0.011","10.958","0.003","18.123","0.004","90","","100.03","0.03","90","","9688","4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-Dichlorobis[1,2-ethandiylbis[diphenylphosphane]-P,P']molybdenum","","- C54.5 H54 Cl2 Mo P4 -","- C54.5 H54 Cl2 Mo P4 -","- C436 H432 Cl16 Mo8 P32 -","8","1","QD0007","Filippou, Alexander, C.; Portius, Peter; Philippopoulos, Athanassios, I.; Kociok-Köhn, Gabriele; Ziemer, Burkhard","Pentane and tetrahydrofuran solvates of <i>trans</i>-dichlorobis[1,2-ethanediylbis(diphenylphosphine)-<i>P</i>,<i>P</i>']molybdenum(II)","Acta Crystallographica Section C","2000","56","9","e378","e379","10.1107/S010827010001060X","","","0.71073","MoKα","","0.196","0.074","","","","0.157","","","","","","0.801","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011367","11.3197","0.0011","13.4052","0.0014","17.455","0.002","90","","96.093","0.011","90","","2633.7","0.5","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Dichlorobis[1,2-ethandiylbis[diphenylphosphane]-P,P']molybdenum","","- C60 H64 Cl2 Mo O2 P4 -","- C60 H64 Cl2 Mo O2 P4 -","- C120 H128 Cl4 Mo2 O4 P8 -","2","0.5","QD0007","Filippou, Alexander, C.; Portius, Peter; Philippopoulos, Athanassios, I.; Kociok-Köhn, Gabriele; Ziemer, Burkhard","Pentane and tetrahydrofuran solvates of <i>trans</i>-dichlorobis[1,2-ethanediylbis(diphenylphosphine)-<i>P</i>,<i>P</i>']molybdenum(II)","Acta Crystallographica Section C","2000","56","9","e378","e379","10.1107/S010827010001060X","","","0.71073","MoKα","","0.039","0.033","","","","0.094","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011368","3.789","0.007","12.2","0.01","14.99","0.02","90","","94.41","0.01","90","","690.9","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Fluoro-2,3-indolinedione","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","QD0008","Naumov, Pance; Anastasova, Frosa; Drew, Michael G. B.; Ng, Seik Weng","5-Fluoroindoline-2,3-dione","Acta Crystallographica Section C","2000","56","9","e406","e407","10.1107/S0108270100010568","","","0.71073","MoKα","","0.088","0.053","","","","0.166","","","","","","1.074","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011369","13.46","0.02","8.62","0.01","17.89","0.02","90","","105.28","0.01","90","","2002","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(imidazole-N^3^)nickel(II) diacetate","","- C16 H22 N8 Ni O4 -","- C16 H22 N8 Ni O4 -","- C64 H88 N32 Ni4 O16 -","4","0.5","QD0009","Naumov, Pance; Ristova, Mirjana; Drew, Michael G. B.; Ng, Seik Weng","Bis(acetato-<i>O</i>)tetrakis(imidazole-<i>N</i>^3^)nickel(II)","Acta Crystallographica Section C","2000","56","9","e372","e373","10.1107/S0108270100010520","","","0.71073","MoKα","","0.047","0.036","","","","0.105","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011370","8.571","0.002","12.102","0.002","10.814","0.002","90","","91.53","0.02","90","","1121.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaqua(5-fluoro-uracil-1-acetato-O)-zinc(II) tetrahydrate","","- C12 H24 F2 N4 O16 Zn -","- C12 H24 F2 N4 O16 Zn -","- C24 H48 F4 N8 O32 Zn2 -","2","0.5","QD0010","Li, Chang-Zheng; Wang, Liu-Fang; Li, Yi-Zhi; Xia, Chun-Gu; Dai, Rong-Bin","<i>trans</i>-Tetraaquabis(5-fluorouracil-1-acetato-<i>O</i>)zinc(II) tetrahydrate","Acta Crystallographica Section C","2000","56","9","e376","e377","10.1107/S0108270100010593","","","0.71073","MoKα","","0.032","0.03","","","","0.11","","","","","","0.884","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011371","9.987","0.002","8.451","0.002","14.233","0.003","90","","90","","90","","1201.3","0.5","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H8 Cu N6 O6 -","- C8 H8 Cu N6 O6 -","- C32 H32 Cu4 N24 O24 -","4","1","QD0011","Riggio, Ivonne; Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","<i>catena</i>-Poly[[bis(nitrato)(pyrimidine)copper(II)]-μ-pyrimidine-<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2000","56","9","e380","e381","10.1107/S010827010001101X","","","0.71073","MoKα","","0.031","0.03","","","","0.077","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011372","7.9539","0.0016","9.5523","0.0019","10.695","0.002","97.61","0.03","110.44","0.03","104.17","0.03","716.7","0.3","298","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Br F3 O2 -","- C14 H14 Br F3 O2 -","- C28 H28 Br2 F6 O4 -","2","1","QD0013","Coles, Simon J.; Hursthouse, Michael B.","3-(4-Bromophenyl)-2-(3,4-dihydro-2<i>H</i>-pyran-5-yl)-1,1,1-trifluoropropan-2-ol","Acta Crystallographica Section C","2000","56","9","e405","e405","10.1107/S0108270100010556","","","0.71073","MoKα","","","0.058","","","","0.18","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011373","12.1251","0.001","8.132","0.0005","19.5195","0.0015","90","","103.23","0.009","90","","1873.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Cesium-tantalum-sulfide","","","- Cs6 S22 Ta4 -","- Cs6 S22 Ta4 -","- Cs12 S44 Ta8 -","2","0.5","QD0016","Stoll, Petra; Näther, Christian; Jeß, Inke; Bensch, Wolfgang","Cs~6~Ta~4~S~22~","Acta Crystallographica Section C","2000","56","9","e368","e369","10.1107/S0108270100010829","","","0.71073","MoKα","","0.029","0.024","","","","0.059","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011374","7.162","0.002","15.101","0.004","9.035","0.004","90","","96.89","0.02","90","","970.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","trans-[Sn(IV)(C~2~H~4~S~2~)~2~(C~5~H~5~NS)~2~]","trans-bis(ethane-1,2-dithiolato[2-]-S,S~'~)bis(2-mercapto-pyridine)tin(IV)","","- C14 H18 N2 S6 Sn -","- C14 H10 N2 S6 Sn -","- C28 H20 N4 S12 Sn2 -","2","0.5","QD0017","Wu, Li-ming; Chen, Ling; Dai, Jingcao; Lin, Ping; Du, Wen-xin; Wu, Xin-tao","<i>trans</i>-Bis[ethane-1,2-dithiolato(2‒)-<i>S</i>,<i>S</i>']bis(2-mercaptopyridine-<i>S</i>)tin(IV)","Acta Crystallographica Section C","2000","56","9","e382","e382","10.1107/S0108270100011021","","","0.71073","MoKα","","","0.031","","","","0.084","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011375","9.778","0.002","10.879","0.002","5.706","0.002","90","","90","","90","","607","0.3","296.2","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H8 N2 O2 -","- C4 H8 N2 O2 -","- C16 H32 N8 O8 -","4","0.5","QD0020","Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro","Methylmalonamide and ethylmalonamide","Acta Crystallographica Section C","2000","56","9","e411","e412","10.1107/S0108270100010866","","","0.7107","MoKα","","","0.0404","","","","0.1146","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011376","6.57","0.001","9.502","0.001","11.032","0.001","90","","96.69","0.01","90","","684.02","0.14","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 N2 O2 -","- C5 H10 N2 O2 -","- C20 H40 N8 O8 -","4","1","QD0020","Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro","Methylmalonamide and ethylmalonamide","Acta Crystallographica Section C","2000","56","9","e411","e412","10.1107/S0108270100010866","","","0.7107","MoKα","","","0.0509","","","","0.1203","","","","","","1.131","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011377","12.725","0.004","6.167","0.001","10.228","0.002","90","","111.98","0.01","90","","744.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-Dibromosuccinic acid","","- C4 H4 Br2 O4 -","- C4 H4 Br2 O4 -","- C16 H16 Br8 O16 -","4","1","QD0022","Bolte, Michael; Degen, Alexander","<i>rac</i>-2,3-Dibromosuccinic acid","Acta Crystallographica Section C","2000","56","9","e410","e410","10.1107/S0108270100010611","","","0.71073","MoKα","","0.035","0.031","","","","0.081","","","","","","1.119","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011378","34.992","0.004","6.6249","0.0006","14.651","0.002","90","","111.751","0.009","90","","3154.6","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","none","Bis(μ3-seleno)(η^5^-cyclopentadienyl)hexacarbonyldiironcobalt","","- C11 H5 Co Fe2 O6 Se2 -","- C11 H5 Co Fe2 O6 Se2 -","- C88 H40 Co8 Fe16 O48 Se16 -","8","1","QD0023","Virovets, Alexander V.; Konchenko, Sergey N.","Redetermination of hexacarbonyl(η^5^-cyclopentadienyl)bis(μ~3~-selenido)diiron(II)cobalt(II)","Acta Crystallographica Section C","2000","56","9","e383","e384","10.1107/S0108270100011033","","","0.71069","MoKα","","0.105","0.028","","","","0.062","","","","","","0.693","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011379","18.612","0.008","19.807","0.009","11.087","0.005","90","","95.94","0.03","90","","4065","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(6R*,16R*)-9,14-Dihydro-6-methyl-6,16-methano-6H,16H-[2,4]benzo- thiazepino[3,4-d][1,3,5]benzoxadiazocine hydrobromide 0.5 dimethylformamide","","- C20.5 H22.5 Br N2.5 O1.5 S -","- C20.5 H22.5 Br N2.5 O1.5 S -","- C164 H180 Br8 N20 O12 S8 -","8","2","SK1354","Kettmann, Viktor; Svetlik, Jan","(6<i>R</i>*,16<i>R</i>*)-9,14-Dihydro-6-methyl-6,16-methano-6<i>H</i>,16<i>H</i>-[2,4]benzothiazepino[3,4-<i>d</i>][1,3,5]benzoxadiazocine hydrobromide dimethylformamide hemisolvate","Acta Crystallographica Section C","2000","56","9","1115","1116","10.1107/S0108270100006727","","","0.71073","MoKα","","0.181","0.063","","","","0.157","","","","","","0.896","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011380","10.276","0.002","10.276","0.002","30.249","0.004","90","","90","","90","","3194.2","1","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","tris(ethylenediamine)-nickel(II)tetrathioantimonate nitrate","tris(ethylenediamine)-nickel(II)tetrathioantimonate nitrate ?","","- C12 H48 N13 Ni2 O3 S4 Sb -","- C12 H48 N13 Ni2 O3 S4 Sb -","- C48 H192 N52 Ni8 O12 S16 Sb4 -","4","0.25","SK1373","Schur, Michael; Bensch, Wolfgang","Bis[tris(1,2-ethanediamine-<i>N</i>,<i>N</i>')nickel(II)] tetrathioantimonate(V) nitrate","Acta Crystallographica Section C","2000","56","9","1107","1108","10.1107/S0108270100009082","","","0.71073","MoKα","","0.0508","0.031","","","","0.0699","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011381","6.216","0.002","14.219","0.006","9.342","0.003","90","","90.91","0.03","90","","825.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Anilinium hydrogenphosphite","","- C6 H10 N O3 P -","- C6 H10 N O3 P -","- C24 H40 N4 O12 P4 -","4","1","SK1377","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martin-Gil, J.","Two anilinium salts: anilinium hydrogenphosphite and anilinium hydrogenoxalate hemihydrate","Acta Crystallographica Section C","2000","56","9","1132","1135","10.1107/S0108270100008015","","","0.71073","MoKα","","0.0496","0.0283","","","","0.0839","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011382","23.9825","0.0019","5.7253","0.0014","13.891","0.002","90","","109.34","0.011","90","","1799.7","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Anilinium hydrogenoxalate monohydrate","","- C8 H10 N O4.5 -","- C8 H10 N O4.5 -","- C64 H80 N8 O36 -","8","1","SK1377","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martin-Gil, J.","Two anilinium salts: anilinium hydrogenphosphite and anilinium hydrogenoxalate hemihydrate","Acta Crystallographica Section C","2000","56","9","1132","1135","10.1107/S0108270100008015","","","0.71073","MoKα","","0.0451","0.0341","","","","0.1007","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011383","3.9198","0.0001","18.3222","0.0005","7.9352","0.0002","90","","103.221","0.002","90","","554.8","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Nitromethylene)-1,3-dithietane","","- C3 H3 N O2 S2 -","- C3 H3 N O2 S2 -","- C12 H12 N4 O8 S8 -","4","1","SK1398","Shanmuga Sundara Raj, S.; Surya Prakash Rao, H.; Sakthikumar, L.; Fun, Hoong-Kun","2-(Nitromethylene)-1,3-dithietane","Acta Crystallographica Section C","2000","56","9","1113","1114","10.1107/S0108270100009100","","","0.71073","MoKα","","0.0476","0.0384","","","","0.0994","","","","","","0.989","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011384","6.0851","0.0002","18.346","0.0004","11.3499","0.0006","90","","94.02","0.003","90","","1263.95","0.08","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H17 N O4 -","- C11 H17 N O4 -","- C44 H68 N4 O16 -","4","1","SK1400","Luger, Peter; Weber, Manuela; Szeimies, Günter; Pätzel, Michael","3-(<i>tert</i>-Butyloxycarbonylamino)bicyclo[1.1.1]pentanecarboxylic acid at 293K","Acta Crystallographica Section C","2000","56","9","1170","1172","10.1107/S0108270100008994","","","0.71068","MoKα","","0.0873","0.0479","","","","0.1394","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011385","4.86","0.003","32.543","0.004","8.538","0.003","90","","94.79","0.04","90","","1345.6","1","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","TA1290","Smith, Graham; Bott, Raymond C.; Lynch, Daniel E.","The 1:1 adduct of 4-aminobenzoic acid with 4-aminobenzonitrile","Acta Crystallographica Section C","2000","56","9","1155","1156","10.1107/S010827010000874X","","","0.7107","MoKα","","","0.045","","","","0.043","","","","","","1.795","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011386","8.516","0.003","10.915","0.004","13.054","0.006","90","","95.31","0.01","90","","1208.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-poly[[Silver(I)-μ-[(E)-1,2-bis(2-pyridyl)ethylene-N:N']]nitrate]","","- C12 H10 Ag N3 O3 -","- C12 H10 Ag N3 O3 -","- C48 H40 Ag4 N12 O12 -","4","1","TA1291","Tong, Ming-Liang; Chen, Xiao-Ming","<i>catena</i>-Poly[[silver(I)-μ-[(<i>E</i>)-1,2-bis(2-pyridyl)ethylene-<i>N</i>:<i>N</i>']] nitrate]","Acta Crystallographica Section C","2000","56","9","1075","1076","10.1107/S0108270100008647","","","0.71073","MoKα","","0.053","0.034","","","","0.08","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011387","14.2386","0.0009","9.4823","0.0007","28.063","0.002","90","","90","","90","","3788.9","0.5","100","2","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","trans-Tetrachlorobis(N,N'-dimethylimidazolidine-2-thione)tellurium(IV)","","- C10 H20 Cl4 N4 S2 Te -","- C10 H20 Cl4 N4 S2 Te -","- C80 H160 Cl32 N32 S16 Te8 -","8","2","AV1048","Husebye, Steinar; Törnroos, Karl W.","<i>trans</i>-Tetrachlorobis(<i>N</i>,<i>N</i>'-dimethylimidazolidine-2-thione)tellurium(IV), a thiourea complex of tellurium with asymmetric Te—S bonds","Acta Crystallographica Section C","2000","56","10","1242","1244","10.1107/S0108270100009392","","","0.71073","MoKα","","0.029","0.026","","","","0.052","","","","","","1.182","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011388","12.17","0.002","12.934","0.003","14.112","0.003","66.46","0.03","85.71","0.03","79.46","0.03","2002.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(μ-2,6-Bis{[(2-hydroxyphenyl)(2-pyridylmethyl)amino]methyl}-4-methylphenolato)- bis[diaquanickel(II)] acetate dimetylformamide 0.75-hydrate","","- C38 H48.5 N5 Ni2 O10.75 -","- C38 H48.5 N5 Ni2 O10.75 -","- C76 H97 N10 Ni4 O21.5 -","2","1","BK1519","de Brito, Marcos A.; Bortoluzzi, Adailton J.; Greatti, Alessandra; Ceccato, Augusto S.; Joussef, Antônio C.; Drechsel, Sueli M.","(μ-2,6-Bis{[(2-hydroxyphenyl)(2-pyridylmethyl)amino]methyl}-4-methylphenolato)bis[diaquanickel(II)] acetate dimethylformamide 0.75-hydrate","Acta Crystallographica Section C","2000","56","10","1188","1190","10.1107/S0108270100009379","","","0.71073","MoKα","","0.07","0.038","","","","0.107","","","","","","1.013","","","","has coordinates,has Fobs","206183","2020-10-21","18:00:00",""
"2011389","7.4128","0.0007","10.7752","0.001","22.337","0.002","90","","97.538","0.002","90","","1768.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline","","- C17 H20 Cl N3 O4 -","- C17 H20 Cl N3 O4 -","- C68 H80 Cl4 N12 O16 -","4","1","BK1527","Sudbeck, Elise A.; Jennissen, Jason D.; Liu, Xing-Ping; Uckun, Fatih M.","An inhibitor of Janus kinase 3: 4-(4-hydroxyphenylamino)-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate","Acta Crystallographica Section C","2000","56","10","1282","1283","10.1107/S0108270100007496","","","0.71073","MoKα","","0.082","0.048","","","","0.12","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011390","35.161","0.006","13.763","0.006","18.845","0.003","90","","119.104","0.012","90","","7968","4","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[(TPPBr4)Fe]2O.2CH2Cl2","","- C90 H52 Br8 Cl4 Fe2 N8 O -","- C90 H52 Br8 Cl4 Fe2 N8 O -","- C360 H208 Br32 Cl16 Fe8 N32 O4 -","4","0.5","BK1532","Li, Ming; Shang, Maoyu; Duval, Hugues F.; Scheidt, W. Robert","μ-Oxo-bis[(2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrinato)iron(III)] bis(dichloromethane) solvate","Acta Crystallographica Section C","2000","56","10","1206","1207","10.1107/S0108270100010222","","","0.71073","MoKα","","0.054","0.04","","","","0.099","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011391","22.5868","0.0004","22.5868","0.0004","8.302","0.0001","90","","90","","90","","4235.38","0.12","150","","150","","","","","","","","","3","I 41/a :2","-I 4ad","88","4-(hydroxymethyl)phenanthrene","4-phenanthrenemethanol","","- C15 H12 O -","- C15 H12 O -","- C240 H192 O16 -","16","1","BK1535","Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in 4-phenanthrenemethanol at 150K","Acta Crystallographica Section C","2000","56","10","1287","1288","10.1107/S0108270100008039","","","0.71073","MoKα","","","0.04","","","","0.102","","","","","","1.92","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011392","11.9418","0.0006","15.288","0.0008","19.0307","0.001","90","","90.915","0.001","90","","3473.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(μ-p-hydroxybenzoato-O,O')bis(dimethyl sulfoxide-S)dirhodium(II)- tetrakis(μ-butyrato-O,O')bis(dimethyl sulfoxide-S)dirhodium(II) cocrystal ethanol disolvate","","- C56 H84 O26 Rh4 S4 -","- C56 H84 O26 Rh4 S4 -","- C112 H168 O52 Rh8 S8 -","2","0.5","BK1540","Sveshnikov, Nikolay N.; Dickman, Michael H.; Pope, Michael T.","Bis(dimethyl sulfoxide-<i>S</i>)tetrakis(μ-<i>p</i>-hydroxybenzoato-<i>O</i>:<i>O</i>')dirhodium(II)‒tetrakis(μ-butyrato-<i>O</i>:<i>O</i>')bis(dimethyl sulfoxide-<i>S</i>)dirhodium(II) cocrystal ethanol disolvate","Acta Crystallographica Section C","2000","56","10","1193","1195","10.1107/S0108270100009756","","","0.71073","MoKα","","0.039","0.03","","","","0.079","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011393","5.4734","0.0003","11.4048","0.0006","11.52","0.0006","115.478","0.001","95.941","0.001","93.035","0.001","641.88","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-cyano-2-hydroxy-N-[3-(methylsulphonyl)phenyl]but-2-enamide","","- C12 H12 N2 O4 S -","- C12 H12 N2 O4 S -","- C24 H24 N4 O8 S2 -","2","1","BK1544","Ghosh, Sutapa; Jennissen, Jason D.; Zheng, Yaguo; Uckun, Fatih M.","Three leflunomide metabolite analogs","Acta Crystallographica Section C","2000","56","10","1254","1257","10.1107/S0108270100009768","","","0.71073","MoKα","","0.04","0.034","","","","0.102","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011394","5.2834","0.0004","10.8265","0.0008","13.1634","0.001","69.009","0.001","81.085","0.001","83.238","0.001","692.91","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","1-cyano-2-hydroxy-N-[3-bromo-4-(trifluromethoxy)phenyl]but-2-enamide","","- C12 H8 Br F3 N2 O3 -","- C12 H8 Br F3 N2 O3 -","- C24 H16 Br2 F6 N4 O6 -","2","1","BK1544","Ghosh, Sutapa; Jennissen, Jason D.; Zheng, Yaguo; Uckun, Fatih M.","Three leflunomide metabolite analogs","Acta Crystallographica Section C","2000","56","10","1254","1257","10.1107/S0108270100009768","","","0.71073","MoKα","","0.103","0.045","","","","0.131","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011395","8.8002","0.001","5.5336","0.0006","25.852","0.003","90","","97.644","0.001","90","","1247.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-cyano-2-hydroxy-N-[4-(methylsulfonyl)phenyl]but-2-enamide","","- C12 H12 N2 O4 S -","- C12 H12 N2 O4 S -","- C48 H48 N8 O16 S4 -","4","1","BK1544","Ghosh, Sutapa; Jennissen, Jason D.; Zheng, Yaguo; Uckun, Fatih M.","Three leflunomide metabolite analogs","Acta Crystallographica Section C","2000","56","10","1254","1257","10.1107/S0108270100009768","","","0.71073","MoKα","","0.051","0.044","","","","0.113","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011396","4.5907","0.0006","15.975","0.002","11.173","0.0013","90","","97.187","0.002","90","","812.95","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-trichloro-1-isocyanobenzene","","- C7 H2 Cl3 N -","- C7 H2 Cl3 N -","- C28 H8 Cl12 N4 -","4","1","BK1548","Pink, Maren; Britton, Doyle; Noland, Wayland E.; Pinnow, Matthew J.","2,4,6-Trichlorophenylisonitrile and 2,4,6-trichlorobenzonitrile","Acta Crystallographica Section C","2000","56","10","1271","1273","10.1107/S0108270100010234","","","0.71073","MoKα","","0.081","0.039","","0.095","0.083","","","","0.93","1.04","1.04","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011397","3.8742","0.0003","15.8897","0.0013","12.9067","0.0011","90","","90.975","0.002","90","","794.42","0.11","173","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-trichlorobenzonitrile","","- C7 H2 Cl3 N -","- C7 H2 Cl3 N -","- C28 H8 Cl12 N4 -","4","1","BK1548","Pink, Maren; Britton, Doyle; Noland, Wayland E.; Pinnow, Matthew J.","2,4,6-Trichlorophenylisonitrile and 2,4,6-trichlorobenzonitrile","Acta Crystallographica Section C","2000","56","10","1271","1273","10.1107/S0108270100010234","","","0.71073","MoKα","","0.034","0.026","","0.068","0.066","","","","1.08","1.13","1.13","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011398","10.45","0.003","6.623","0.003","14.828","0.004","90","","103.31","0.03","90","","998.7","0.6","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","Chloramine-B","","","- C6 H8 Cl N Na O3.5 S -","- C6 H8 Cl N Na O3.5 S -","- C24 H32 Cl4 N4 Na4 O14 S4 -","4","1","BM1403","George, Elizabeth; Vivekanandan, Subramania; Sivakumar, Kandasamy","Chloramine-B sesquihydrate","Acta Crystallographica Section C","2000","56","10","1208","1209","10.1107/S0108270100007617","","","0.71073","MoKα","","0.038","0.0345","","","","0.0795","","","","","","1.146","","","","has coordinates,has Fobs","199684","2020-10-21","18:00:00",""
"2011399","16.224","0.002","15.523","0.003","19.061","0.004","90","","99.25","0.01","90","","4738","1.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rhodamine B","3,6-bis(diethylamino)-1',3'-dihydrospiro[xanthene-9,3'-isobenzofuran]-1'-one","","- C28 H30 N2 O3 -","- C28 H28.211 N2 O3 -","- C224 H225.688 N16 O24 -","8","2","BM1410","Kvick, Åke; Vaughan, Gavin B. M.; Wang, Xiqing; Sun, Yuan; Long, Yingcai","A synchrotron-radiation study of the lactone form of rhodamine B at 120K","Acta Crystallographica Section C","2000","56","10","1232","1233","10.1107/S0108270100008404","","","0.496","synchrotron","","0.089","0.058","","","","0.151","","","","","","0.88","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011400","11.47","0.003","9.966","0.006","16.023","0.001","90","","90","","90","","1831.6","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DL-Arginine","DL-2-amino-5-guanidovaleric acid","","- C6 H16 N4 O3 -","- C6 H16 N4 O3 -","- C48 H128 N32 O24 -","8","1","BM1417","Kingsford-Adaboh, Robert; Grosche, Manja; Dittrich, Birger; Luger, Peter","<small>DL</small>-Arginine monohydrate at 100K","Acta Crystallographica Section C","2000","56","10","1274","1276","10.1107/S0108270100010325","","","0.71073","MoKα","","0.0346","0.0344","","","","0.0796","","","","","","1.121","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011401","9.124","0.001","26.061","0.003","7.328","0.001","90","","90","","90","","1742.5","0.4","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","0.5","BM1420","Scaccianoce, Laura; Feeder, Neil; Teat, Simon J.; Marseglia, Elisabeth A.; Grimsdale, Andrew C.; Holmes, Andrew B.","A synchrotron diffraction study of two polymorphic forms of 2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine","Acta Crystallographica Section C","2000","56","10","1277","1279","10.1107/S0108270100010337","","","0.6891","synchrotron","","0.075","0.057","","","","0.138","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011402","32.339","0.006","5.732","0.001","9.411","0.002","90","","102.815","0.004","90","","1701","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","0.5","BM1420","Scaccianoce, Laura; Feeder, Neil; Teat, Simon J.; Marseglia, Elisabeth A.; Grimsdale, Andrew C.; Holmes, Andrew B.","A synchrotron diffraction study of two polymorphic forms of 2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine","Acta Crystallographica Section C","2000","56","10","1277","1279","10.1107/S0108270100010337","","","0.6891","synchrotron","","0.064","0.049","","","","0.141","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011403","8.614","0.002","19.363","0.004","12.473","0.003","90","","95.59","0.03","90","","2070.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Ca N2 O12 Zn2 -","- C36 H44 Ca N2 O12 Zn2 -","- C72 H88 Ca2 N4 O24 Zn4 -","2","0.5","BM1424","Cui, Yong; Zhang, Xing; Zheng, Fakun; Ren, Jing; Chen, Gang; Qian, Yitai; Huang, Jinshun","Two mixed-metal carboxylate‒base adducts","Acta Crystallographica Section C","2000","56","10","1198","1200","10.1107/S0108270100009999","","","0.71073","MoKα","","0.062","0.05","","","","0.155","","","","","","1.149","","","","has coordinates,has disorder,has Fobs","203567","2020-10-21","18:00:00",""
"2011404","20.571","0.0005","13.9851","0.0003","18.8102","0.0004","90","","103.814","0.007","90","","5254.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H68 Ca Co2 N2 O12 -","- C48 H68 Ca Co2 N2 O12 -","- C192 H272 Ca4 Co8 N8 O48 -","4","0.5","BM1424","Cui, Yong; Zhang, Xing; Zheng, Fakun; Ren, Jing; Chen, Gang; Qian, Yitai; Huang, Jinshun","Two mixed-metal carboxylate‒base adducts","Acta Crystallographica Section C","2000","56","10","1198","1200","10.1107/S0108270100009999","","","0.71073","MoKα","","0.099","0.062","","","","0.135","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011405","6.2757","0.0013","8.026","0.002","8.09","0.002","90.37","0.03","107.03","0.03","90.86","0.03","389.55","0.17","203","2","203","2","","","","","","","","4","P -1","-P 1","2","Barium hydroxyde iodide tetra-hydrate","Tetraaquabarium hydroxide iodide","","- Ba H9 I O5 -","- Ba H9 I O5 -","- Ba2 H18 I2 O10 -","2","1","BR1264","Fromm, Katharina M.; Goesmann, Helmut","On the way to sol‒gels: an analysis of the intra- and intermolecular hydrogen bonding in [Ba(OH)I(H~2~O)~4~]","Acta Crystallographica Section C","2000","56","10","1179","1180","10.1107/S0108270100009586","","","0.71073","MoKa","","0.017","0.016","","0.039","","0.039","","","1.164","","","1.169","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011406","8.121","0.001","8.121","0.001","13.672","0.003","90","","90","","90","","901.7","0.3","293","2","293","2","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","Potassium sodium tin selenide","","- K3 Na Se8 Sn3 -","- K3 Na Se8 Sn3 -","- K6 Na2 Se16 Sn6 -","2","0.125","BR1296","Chen, Xuean; Huang, Xiaoying; Li, Jing","Potassium sodium tin selenide, K~3~NaSn~3~Se~8~","Acta Crystallographica Section C","2000","56","10","1181","1182","10.1107/S0108270100010106","","","0.71073","MoKα","","0.046","0.029","","","","0.071","","","","","","1.228","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011407","10.7358","0.001","15.8301","0.0012","13.4377","0.0008","90","","110.482","0.006","90","","2139.3","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 N2 O2 S2 -","- C25 H18 N2 O2 S2 -","- C100 H72 N8 O8 S8 -","4","1","DA1140","Boryczka, Stanisław; Schreurs, Antoine M. M.; Kroon, Jan; Steiner, Thomas","Bis(4-propargyloxy-3-quinolylthio)methane","Acta Crystallographica Section C","2000","56","10","1234","1235","10.1107/S0108270100008611","","","0.71073","MoKα","","0.0709","0.0476","","","","0.1051","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011408","7.4077","0.0011","22.064","0.003","11.585","0.002","90","","90","","90","","1893.5","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Ni(t-salpd)","","","- C19 H24 N2 Ni O6 -","- C19 H24 N2 Ni O6 -","- C76 H96 N8 Ni4 O24 -","4","0.5","DA1141","Gomes, Ligia; Sousa, Carla; Freire, Cristina; de Castro, Baltazar","Diaqua{6,6'-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne-<i>N</i>)]diphenolato-<i>O</i>,<i>O</i>'}nickel(II)","Acta Crystallographica Section C","2000","56","10","1201","1203","10.1107/S010827010001009X","","","0.71073","MoKα","","0.049","0.037","","0.105","","0.093","","","1.05","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011409","8.221","0.001","9.223","0.001","9.483","0.001","109.144","0.002","101.536","0.002","114.01","0.002","572.3","0.11","298","2","","","","","","","","","","6","P -1","-P 1","2","","diaquabis[bis(pyrazol-1-yl-κN^2^)methane]copper(II) diperchlorate","","- C14 H20 Cl2 Cu N8 O10 -","- C14 H20 Cl2 Cu N8 O10 -","- C14 H20 Cl2 Cu N8 O10 -","1","0.5","DE1144","Zhang, Lei; Du, Miao; Tang, Liang-Fu; Leng, Xue-Bing; Wang, Zhi-Hong","A novel three-dimensional copper(II) network <i>via</i> hydrogen bonds: diaquabis[bis(pyrazol-1-yl-κ<i>N</i>^2^)methane]copper(II) diperchlorate","Acta Crystallographica Section C","2000","56","10","1210","1212","10.1107/S0108270100009434","","","0.71073","MoKα","","","0.042","","","","0.124","","","","","","1.019","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011410","5.37","0.005","8.971","0.008","9.92","0.009","90","","90","","90","","477.9","0.8","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Hydroxycyclopent-2-enone","3-Hydroxycyclopent-2-enone","","- C5 H6 O2 -","- C5 H6 O2 -","- C20 H24 O8 -","4","1","DE1148","Gerrard, Juliet A.; Meade, Susie J.; Morris, Jonathan C.; Steel, Peter J.","Two crystalline modifications of 2-hydroxycyclopent-2-enone","Acta Crystallographica Section C","2000","56","10","1251","1253","10.1107/S0108270100009550","","","0.71073","MoKα","","0.0451","0.0315","","","","0.0697","","","","","","0.977","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011411","9.1","0.007","10.761","0.008","10.124","0.007","90","","106.491","0.011","90","","950.6","1.2","163","2","163","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-Hydroxycyclopent-2-enone","3-Hydroxycyclopent-2-enone","","- C5 H6 O2 -","- C5 H6 O2 -","- C40 H48 O16 -","8","2","DE1148","Gerrard, Juliet A.; Meade, Susie J.; Morris, Jonathan C.; Steel, Peter J.","Two crystalline modifications of 2-hydroxycyclopent-2-enone","Acta Crystallographica Section C","2000","56","10","1251","1253","10.1107/S0108270100009550","","","0.71073","MoKα","","0.0937","0.0434","","","","0.1151","","","","","","0.914","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011412","16.124","0.002","16.371","0.002","17.766","0.001","81.676","0.003","66.289","0.002","80.05","0.003","4214.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Trimetrexate","2,4-diamino-5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline","","- C80 H110 N20 O17 S2 -","- C80 H110 N20 O17 S2 -","- C160 H220 N40 O34 S4 -","2","1","FG1597","Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur","The antifolate trimetrexate: observation of the enzyme-binding conformation","Acta Crystallographica Section C","2000","56","10","1225","1227","10.1107/S0108270100008349","","","0.71073","MoKα","","0.198","0.065","","","","0.168","","","","","","0.877","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011413","13.532","0.003","15.223","0.005","12.755","0.003","101.98","0.02","106.91","0.02","83.71","0.02","2455.7","1.2","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H56 B2 Cl2 F40 Ga12 O16 -","- C72 H56 B2 Cl1.99 F40 Ga12 O16 -","- C72 H56 B2 Cl1.99 F40 Ga12 O16 -","1","0.5","FG1603","Swenson, Dale C.; Dagorne, Samuel; Jordan, Richard F.","A dicationic gallium‒oxo‒hydroxide cage compound","Acta Crystallographica Section C","2000","56","10","1213","1215","10.1107/S0108270100009902","","","0.71073","MoKα","","0.132","0.056","","","","0.122","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011414","8.268","0.004","17.802","0.007","14.707","0.008","90","","93.32","0.02","90","","2161","1.8","301","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxycarbo nyl)","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C84 H108 N4 O24 -","4","1","FR1251","Sara K. Metcalf; Elizabeth M. Holt","Three methoxy-substituted diethyl 4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate compounds","Acta Crystallographica Section C","2000","56","10","1228","1231","10.1107/S0108270100008416","","","0.71073","MoKα","","0.186","0.071","","","","0.25","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011415","8.462","0.006","7.637","0.006","33.44","0.02","90","","94.48","0.02","90","","2154","3","301","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxycarbo nyl)","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C84 H108 N4 O24 -","4","1","FR1251","Sara K. Metcalf; Elizabeth M. Holt","Three methoxy-substituted diethyl 4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate compounds","Acta Crystallographica Section C","2000","56","10","1228","1231","10.1107/S0108270100008416","","","0.71073","MoKα","","0.195","0.085","","","","0.263","","","","","","1.01","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011416","8.714","0.008","16.167","0.014","16.948","0.014","90","","90","","90","","2388","4","301","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(3,4,5-trimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxyca rbonyl) (III)","","- C22 H29 N O7 -","- C22 H29 N O7 -","- C88 H116 N4 O28 -","4","1","FR1251","Sara K. Metcalf; Elizabeth M. Holt","Three methoxy-substituted diethyl 4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate compounds","Acta Crystallographica Section C","2000","56","10","1228","1231","10.1107/S0108270100008416","","","0.71073","MoKα","","0.125","0.069","","","","0.22","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011417","9.1099","0.0007","15.9279","0.0015","20.5073","0.0019","90","","100.445","0.002","90","","2926.3","0.4","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Astemizole tetrachlorocuprate(II)","1-[(4-Fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]-4-piperidin-4-yl}- 1H-benzimidazol-2-ammonium tetrachloro copper(II).","","- C28 H33 Cl4 Cu F N4 O -","- C28 H33 Cl4 Cu F N4 O -","- C112 H132 Cl16 Cu4 F4 N16 O4 -","4","1","FR1280","Parvez, Masood; Braitenbach, Kristin","Astemizole tetrachlorocuprate(II)","Acta Crystallographica Section C","2000","56","10","1216","1217","10.1107/S0108270100007733","","","0.71073","MoKα","","0.142","0.051","","","","0.101","","","","","","0.81","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011418","10.4286","0.0002","9.1195","0.0002","11.3748","0.0002","90","","112.299","0.0011","90","","1000.88","0.03","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(2-hydroxy-1,1-dimethylethyl)benzamide","N-(2-hydroxy-1,1-dimethylethyl)benzamide","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","1","FR1281","Gerkin, Roger E.","Hydrogen bonds and C—H···O interactions in <i>N</i>-(2-hydroxy-1,1-dimethylethyl)benzamide at 150K","Acta Crystallographica Section C","2000","56","10","1218","1219","10.1107/S0108270100007629","","","0.71073","MoKα","","","0.038","","","","0.098","","","","","","1.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011419","8.3604","0.0002","8.1567","0.0001","19.1388","0.0004","90","","95.467","0.001","90","","1299.2","0.04","150","","150","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","2,4,5,7-tetramethylphenanthrene#","","","- C18 H18 -","- C18 H18 -","- C72 H72 -","4","1","FR1287","Gerkin, Roger E.","2,4,5,7-Tetramethylphenanthrene at 150K","Acta Crystallographica Section C","2000","56","10","1220","1221","10.1107/S010827010000843X","","","0.71073","MoKα","","","0.043","","","","0.096","","","","","","1.92","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011420","16.8468","0.0003","37.3753","0.0007","13.8418","0.0003","90","","90","","90","","8715.5","0.3","150","","150","","","","","","","","","3","P n n a","-P 2a 2bc","52","2-[1-(1-naphthyl)ethyl]benzoic acid","","","- C19 H16 O2 -","- C19 H16 O2 -","- C456 H384 O48 -","24","3","FR1289","Gerkin, Roger E.","Hydrogen bonding and C—H···O interactions in 2-[1-(1-naphthyl)ethyl]benzoic acid at 150K","Acta Crystallographica Section C","2000","56","10","1222","1224","10.1107/S0108270100009781","","","0.71073","MoKα","","","0.055","","","","0.076","","","","","","1.67","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011421","6.7449","0.0008","9.8755","0.0013","13.878","0.002","81.586","0.01","86.189","0.01","88.519","0.009","912.3","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","5-oxocyclooctanecarboxylic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","2","FR1293","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","5-Oxocyclooctanecarboxylic acid: hydrogen-bonding pattern and conformational disorder in a medium-ring ε-keto acid","Acta Crystallographica Section C","2000","56","10","1260","1262","10.1107/S0108270100009793","","","0.71073","MoKα","","0.107","0.067","","","","0.178","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011422","22.195","0.006","5.2607","0.0013","25.413","0.003","90","","98.938","0.015","90","","2931.2","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","benzyl 2-carboxy-3-ethyl-4-methylpyrrole-5-carboxylate","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C128 H136 N8 O32 -","8","1","GD1110","Ramos Silva, M.; Matos Beja, A.; Paixao, J. A.; Alte da Veiga, L.; Sobral, A. J. F. N.; Rocha Gonsalves, A. M. d'A.","Benzyl 5-carboxy-4-ethyl-3-methylpyrrole-2-carboxylate","Acta Crystallographica Section C","2000","56","10","1263","1264","10.1107/S010827010000980X","","","0.71073","MoKα","","0.138","0.041","","","","0.129","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011423","28.945","0.003","6.5473","0.0009","27.526","0.002","90","","117.622","0.007","90","","4621.9","0.9","294","2","294","2","","","","","","","","6","C 1 2 1","C 2y","5","DSI(Diaryl Sulfonyl Imidazolone)","[(S)-(+)-4-Phenyl-1-[1-(4-aminobenzoyl)indoline-5-sulfonyl]-4,5-dihydro- 2-imidazolone] 0.5-hydrochloride","","- C48 H45 Cl N8 O8 S2 -","- C48 H45 Cl N8 O8 S2 -","- C192 H180 Cl4 N32 O32 S8 -","4","1","GG1010","Park, Kyung-Lae; Moon, Byoung-Gi; Jung, Sang-Hun; Kim, Jin-Gyu; Suh, Il-Hwan","Multicentre hydrogen bonds in a 2:1 arylsulfonylimidazolone hydrochloride salt","Acta Crystallographica Section C","2000","56","10","1247","1250","10.1107/S0108270100009495","","","0.71069","MoKα","","0.082","0.048","","","","0.116","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011424","14.934","0.001","10.115","0.001","15.74","0.001","90","","113.049","0.005","90","","2187.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","terbogrel","E-6-[4-(3-tert-butyl-2-cyanoguanidino)phenyl]-6-(3-pyridyl)hex-5-enoic acid","","- C23 H27 N5 O2 -","- C23 H27 N5 O2 -","- C92 H108 N20 O8 -","4","1","GS1099","Michaux, Catherine; Norberg, Bernadette; Dogné , Jean-Michel; Durant, François; Masereel, Bernard; Delarge, Jacques; Wouters, Johan","Terbogrel, a dual-acting agent for thromboxane receptor antagonism and thromboxane synthase inhibition","Acta Crystallographica Section C","2000","56","10","1265","1266","10.1107/S0108270100009872","","","1.54178","CuKα","","0.047","0.036","","","","0.105","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011425","13.8976","0.0001","7.5553","0.0001","17.3704","0.0002","90","","97.947","0.001","90","","1806.39","0.03","133","","133","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Cl6 N12 Si2 -","- C26 H40 Cl6 N12 Si2 -","- C52 H80 Cl12 N24 Si4 -","2","0.5","JZ1418","Hensen, Karl; Spangenberg, Björn; Bolte, Michael","The addition-reaction product of 1,1,1,4,4,4-hexachloro-1,4-disilabutane with <i>N</i>-methylimidazole","Acta Crystallographica Section C","2000","56","10","1245","1246","10.1107/S0108270100009471","","","0.71073","MoKα","","0.0637","0.041","","0.0847","0.0774","0.0847","","","1.078","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011426","11.6811","0.0002","9.8679","0.0002","11.13","0.0002","90","","93.482","0.001","90","","1280.56","0.04","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C7 H9 Br4 N Ti -","- C7 H9 Br4 N Ti -","- C28 H36 Br16 N4 Ti4 -","4","1","JZ1419","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Tetrabromo(2,6-dimethylpyridine-<i>N</i>)titanium(IV), a twinned crystal structure","Acta Crystallographica Section C","2000","56","10","1196","1197","10.1107/S0108270100009811","","","0.71073","MoKα","","0.04","0.034","","","","0.068","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011427","10.1311","0.0003","12.2128","0.0004","14.3972","0.0005","82.423","0.002","80.855","0.003","82.344","0.002","1731.85","0.1","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","η(1‒5)-4-ferrocenyl-1,2,5,6-tetrakis(trimethylsilyl)cyclohexa-2,4-dien-1-yl- (η^5^-cyclopentadienyl)titanium(II)","","- C33 H52 Fe Si4 Ti -","- C33 H52 Fe Si4 Ti -","- C66 H104 Fe2 Si8 Ti2 -","2","1","JZ1420","Štěpnička, Petr; Císařová, Ivana; Horáček, Michal; Mach, Karel","A ferrocenyl-substituted pseudotitanocene complex","Acta Crystallographica Section C","2000","56","10","1204","1205","10.1107/S0108270100010167","","","0.71073","MoKα","","0.06","0.045","","","","0.113","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011428","19.7221","0.0009","4.8605","0.0002","10.2699","0.0005","90","","97.121","0.001","90","","976.87","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-cis S-Benzyl dithiocarbazate","","- C8 H10 N2 S2 -","- C8 H10 N2 S2 -","- C32 H40 N8 S8 -","4","1","NA1480","Shanmuga Sundara Raj, S.; Yamin, Bohari M.; Boshaala, Ahmed M. A.; Tarafder, M. T. H.; Fun, Hoong-Kun","<i>trans</i>‒<i>cis</i> <i>S</i>-Benzyl dithiocarbazate","Acta Crystallographica Section C","2000","56","10","1236","1237","10.1107/S0108270100009276","","","0.71073","MoKα","","0.075","0.06","","","","0.113","","","","","","0.976","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011429","8.553","0.005","13.127","0.003","11.819","0.003","106.21","0.02","82.77","0.03","99.72","0.03","1251.6","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[K(DB18C6)]~2~[Pt(SCN)~4~]","[2,5,8,15,18,21-hexaoxatricyclo[20.4.0.1^9,14^]hexacosa- 1(22)9(14),10,12,23,25-hexadiene-κ^6^O]potassium(I) tetrakis(thiocyanato-S)platinum(II)","","- C44 H48 K2 N4 O12 Pt S4 -","- C44 H48 K2 N4 O12 Pt S4 -","- C44 H48 K2 N4 O12 Pt S4 -","1","0.5","OA1101","Li, Xue; Dou, Jian-Min; Liu, Ying; Zhu, Lan-Ying; Zheng, Pei-Ju","A novel Pt^II^‒dibenzo-18-crown-6 (DB18C6) complex","Acta Crystallographica Section C","2000","56","10","1185","1187","10.1107/S010827010000929X","","","0.71073","MoKα","","0.034","0.025","","","","0.075","","","","","","0.906","","","","has coordinates","197043","2020-10-21","18:00:00",""
"2011430","6.5948","0.0017","9.493","0.003","19.64","0.005","90","","90","","90","","1229.6","0.6","298","2","298","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","sodium calcium tantalate","trisodium dicalcium tantalum hexoxide","","- Ca2 Na3 O6 Ta -","- Ca2 Na3 O6 Ta -","- Ca16 Na24 O48 Ta8 -","8","0.25","OA1102","Yamane, Hisanori; Takahashi, Hiroki; Kajiwara, Takashi; Shimada, Masahiko","Na~3~Ca~2~TaO~6~, a rock-salt superstructure phase with a fully ordered cation arrangement","Acta Crystallographica Section C","2000","56","10","1177","1178","10.1107/S0108270100009306","","","0.71073","MoKα","","0.024","0.015","","","","0.035","","","","","","1.13","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011431","22.155","0.002","7.744","0.0008","13.6293","0.0015","90","","102.906","0.002","90","","2279.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Dichloro(1,10-bis(mercaptobenzylyl)-4,7-dioxadecane)palladium(II)","","- C20 H26 Cl2 O2 Pd S2 -","- C20 H26 Cl2 O2 Pd S2 -","- C80 H104 Cl8 O8 Pd4 S8 -","4","1","OB1036","Park, Ki-Min; Yoon, Il; Yoo, Byeong Soon; Choi, Jin Beom; Lee, Shim Sung; Kim, Bong Gon","<i>trans</i>-Dichloro(1,12-diphenyl-5,8-dioxa-2,11-dithiadodecane-<i>S</i>,<i>S</i>')palladium(II)","Acta Crystallographica Section C","2000","56","10","1191","1192","10.1107/S010827010000946X","","","0.71073","MoKα","","0.1175","0.0681","","","","0.1996","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011432","12.6304","0.0008","11.3329","0.001","7.0306","0.0006","90","","97.197","0.006","90","","998.42","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-oxoimidazolidinyl)ethyl 2-methylprop-2-enoate","","- C9 H14 N2 O3 -","- C9 H14 N2 O3 -","- C36 H56 N8 O12 -","4","1","OS1113","Spirlet, Marie-Rose; Desreux, Jean F.; Riondel, Alain; Herbst, Gilles; Goudiakas, Jean","2-(2-Oxoimidazolidinyl)ethyl 2-methylprop-2-enoate","Acta Crystallographica Section C","2000","56","10","1258","1259","10.1107/S0108270100009835","","","0.71073","MoKα","","0.045","0.032","","","","0.09","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011433","7.4538","0.0008","7.5568","0.0007","17.6385","0.0013","90","","90","","90","","993.52","0.16","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","OS1119","Ellis, Dianne D.; Spek, Anthony L.","(5<i>S</i>)-3-Oxo-4-oxa-<i>endo</i>-tricyclo[5.2.1.0^2,6^]dec-8-en-5-yl acetate","Acta Crystallographica Section C","2000","56","10","1269","1270","10.1107/S0108270100010179","","","0.71073","MoKα","","0.0395","0.0341","","","","0.0825","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011434","18.4896","0.0003","14.4128","0.0005","18.6685","0.0006","90","0.01","97.977","0.003","90","0.01","4926.8","0.2","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N5 O4 S -","- C26 H22 N5 O4 S -","- C208 H176 N40 O32 S8 -","8","2","QA0295","El Hazazi, S.; Baouid, A.; Hasnaoui, A.; Pierrot, M.","Éthyl 5-méthylthio-3-(4-nitrophényl)-3a-phényl-3a,4-dihydro-3<i>H</i>-[1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazépine-1-carboxylate","Acta Crystallographica Section C","2000","56","10","e457","e458","10.1107/S0108270100011677","","","0.71073","MoKα","","0.083","0.064","","0.063","","0.061","","","1.924","","","1.806","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011435","14.4861","0.0005","16.872","0.001","17.9161","0.0006","90","0.01","152.698","0.002","90","0.01","2008.5","0.2","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N3 O2 -","- C23 H25 N3 O2 -","- C92 H100 N12 O8 -","4","1","QA0297","Aatif, A.; Baouid, A.; Hasnaoui, A.; Pierrot, M.","1-Mésityl-6-méthyl-3a,4-propano-3a,4,5,6-tétrahydro[1,2,4]oxadiazolo[4,5-<i>a</i>][1,5]benzodiazépin-5-one","Acta Crystallographica Section C","2000","56","10","e459","e460","10.1107/S0108270100011689","","","0.71073","MoKα","","0.075","0.05","","0.058","","0.057","","","1.451","","","1.399","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011436","9.9313","0.0018","10.3818","0.0014","23.253","0.002","90","","90","","90","","2397.5","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-Methylenebis(3-hydroxy-2-cyclohexen-1-one)","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","QA0324","SethuSankar, K.; Banumathi, S.; Krishna, R.; Velmurugan, D.","2,2'-Methylenebis(3-hydroxy-2-cyclohexen-1-one)","Acta Crystallographica Section C","2000","56","10","e479","e480","10.1107/S0108270100012117","","","1.54184","CuKα","","0.055","0.044","","","","0.176","","","","","","1.311","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011437","9.446","0.001","11.486","0.001","14.342","0.001","90","","93.14","0.01","90","","1553.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mer-trichlorotris(thiazole)ruthenium(III)","mer-trichlorotris(thiazole)ruthenium(III)","","- C9 H9 Cl3 N3 Ru S3 -","- C9 H9 Cl3 N3 Ru S3 -","- C36 H36 Cl12 N12 Ru4 S12 -","4","1","QA0327","Pifferi, Claudia; Cini, Renzo","<i>mer</i>-Trichlorotris(1,3-thiazole-<i>N</i>)ruthenium(III)","Acta Crystallographica Section C","2000","56","10","e439","e440","10.1107/S0108270100012191","","","0.71073","MoKα","","0.03","0.0232","","","","0.0554","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011438","8.81","0.002","11.047","0.002","15.085","0.003","90","","98.67","0.03","90","","1451.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetramethylammonium di-chloro-di-μ~2~-oxo-tetra-μ~2~-methoxotetradioxo -tetramolybdate(VI)","","- C12 H36 Cl2 Mo4 N2 O14 -","- C12 H36 Cl2 Mo4 N2 O14 -","- C24 H72 Cl4 Mo8 N4 O28 -","2","0.5","QA0331","Strukan, Neven; Cindrić, Marina; Kajfež, Tanja; Kamenar, Boris; Giester, Gerald","The polyoxometallate [(CH~3~)~4~N]~2~[Mo~4~O~10~(OCH~3~)~4~Cl~2~]","Acta Crystallographica Section C","2000","56","10","e443","e444","10.1107/S0108270100012233","","","0.71073","MoKα","","0.041","0.031","","","","0.079","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011439","13.5897","0.0005","10.0316","0.0004","22.624","0.001","90","","147.261","0.003","90","","1668","0.18","298","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu F6 N8 O10 S2 -","- C26 H20 Cu F6 N8 O9.94 S2 -","- C52 H40 Cu2 F12 N16 O19.88 S4 -","2","0.5","QA0347","Gueddi, A.; Mernari, B.; Giorgi, M.; Pierrot, M.","Two 2,5-bis(2-pyridinyl)-1,3,4-oxadiazole‒metal complexes (<i>M</i> = Cu and~Ni)","Acta Crystallographica Section C","2000","56","10","e426","e428","10.1107/S0108270100011707","","","0.71073","MoKα","","0.076","0.065","","0.074","","0.074","","","1.496","","","1.635","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011440","13.6569","0.0009","10.963","0.0007","18.921","0.001","90","0.01","147.752","0.003","90","0.01","1511.6","0.2","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 N8 Ni O12 -","- C24 H16 Cl2 N8 Ni O12 -","- C48 H32 Cl4 N16 Ni2 O24 -","2","0.5","QA0347","Gueddi, A.; Mernari, B.; Giorgi, M.; Pierrot, M.","Two 2,5-bis(2-pyridinyl)-1,3,4-oxadiazole‒metal complexes (<i>M</i> = Cu and~Ni)","Acta Crystallographica Section C","2000","56","10","e426","e428","10.1107/S0108270100011707","","","0.71073","MoKα","","0.088","0.086","","0.075","","0.073","","","2.272","","","2.154","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011441","7.6475","0.0004","9.2255","0.0003","17.521","0.005","90","0.01","99.122","0.002","90","0.01","1220.5","0.4","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C48 H48 N8 O20 -","4","1","QA0354","Ferfra, S.; Ahabchane, N.; Essassi, E. M.; Pierrot, M.","3-(Ethoxycarbonyldihydroxymethyl)-2-oxo-1,2-dihydroquinoxaline","Acta Crystallographica Section C","2000","56","10","e463","e464","10.1107/S0108270100012142","","","0.71073","MoKα","","0.066","0.049","","0.054","","0.054","","","1.479","","","1.472","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011442","10.105","0.003","18.133","0.003","15.59","0.005","90","","103.29","0.02","90","","2780.1","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 Cu N6 O15 Pt -","- C17 H22 Cu N6 O15 Pt -","- C68 H88 Cu4 N24 O60 Pt4 -","4","1","QA0355","Song, Rita; Kim, Kwan Mook; Sohn, Youn Soo","A zigzag-type one-dimensional coordination polymer formed by (2,2-dimethyl-1,3-propanediamine)bis(isonicotinato)platinum(II) and copper nitrate","Acta Crystallographica Section C","2000","56","10","e447","e447","10.1107/S0108270100012488","","","0.71073","MoKα","","0.043","0.034","","","","0.091","","","","","","1.073","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011443","9.9783","0.0003","20.4064","0.0007","11.1476","0.0003","90","0.01","93.231","0.002","90","0.01","2266.28","0.12","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl N2 O6 -","- C24 H25 Cl N2 O6 -","- C96 H100 Cl4 N8 O24 -","4","1","QA0359","Benelbaghdadi, R.; Benharref, A.; Hasnaoui, A.; Lavergne, J. P.; Pierrot, M.; Huet, F.","Diéthyl 10-chloro-7-méthyl-6-oxo-11b-phényl-2,3,5,6,7,11b-héxahydrooxazolino[3,2-<i>d</i>][1,4]benzodiazépine-2,3-carboxylate","Acta Crystallographica Section C","2000","56","10","e461","e462","10.1107/S0108270100012130","","","0.71073","MoKα","","0.053","0.041","","0.047","","0.047","","","1.492","","","1.53","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011444","9.586","0.003","8.279","0.002","11.096","0.005","90","","99.74","0.02","90","","867.9","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O8 -","- C16 H23 N O8 -","- C32 H46 N2 O16 -","2","1","QA0365","Gainsford, Graeme J.; Furneaux, Richard H.; Mason, Jenny M.; Tyler, Peter C.","1,2,7,8-Tetra-<i>O</i>-acetylaustraline","Acta Crystallographica Section C","2000","56","10","e477","e478","10.1107/S0108270100012099","","","0.71069","MoKα","","0.081","0.053","","","","0.108","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011445","27.981","0.006","15.523","0.003","8.9366","0.0018","90","","90","","90","","3881.6","1.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","catena-Poly[[tetrakis[μ-(3-methoxyphenyl)acetato-O:O']dicopper(II)]- μ-2-aminopyrimidine-N^1^:N^3^]","","- C40 H41 Cu2 N3 O12 -","- C40 H41 Cu2 N3 O12 -","- C160 H164 Cu8 N12 O48 -","4","1","QA0366","Lynch, Daniel E.; Duckhouse, Helen L.","<i>catena</i>-Poly[[tetrakis[μ-(3-methoxyphenyl)acetato-<i>O</i>:<i>O</i>']dicopper(II)]-μ-2-aminopyrimidine-<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section C","2000","56","10","e425","e425","10.1107/S0108270100011653","","","0.71073","MoKα","","0.117","0.049","","","","0.096","","","","","","0.891","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011446","9.7508","0.0007","9.7508","0.0007","28.177","0.002","90","","90","","120","","2320.1","0.3","291","2","291","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C12 H24 B2 F8 Na5 Nd O21 -","- C12 H24 B2 F8 Na5 Nd O21 -","- C36 H72 B6 F24 Na15 Nd3 O63 -","3","0.166667","QA0369","Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian","Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[<i>M</i>(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (<i>M</i> = Nd, Sm or Gd)","Acta Crystallographica Section C","2000","56","10","e435","e436","10.1107/S0108270100012087","","","0.71073","MoKα","","0.022","0.022","","","","0.055","","","","","","1.133","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011447","9.7223","0.0011","9.7223","0.0011","28.0728","0.0014","90","","90","","120","","2298","0.4","291","2","291","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C12 H24 B2 F8 Na5 O21 Sm -","- C12 H24 B2 F8 Na5 O21 Sm -","- C36 H72 B6 F24 Na15 O63 Sm3 -","3","0.166667","QA0369","Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian","Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[<i>M</i>(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (<i>M</i> = Nd, Sm or Gd)","Acta Crystallographica Section C","2000","56","10","e435","e436","10.1107/S0108270100012087","","","0.71073","MoKα","","0.014","0.014","","","","0.037","","","","","","1.133","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011448","9.7041","0.001","9.7041","0.001","28.025","0.006","90","","90","","120","","2285.5","0.6","291","2","291","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C12 H24 B2 F8 Gd Na5 O21 -","- C12 H24 B2 F8 Gd Na5 O21 -","- C36 H72 B6 F24 Gd3 Na15 O63 -","3","0.166667","QA0369","Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian","Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[<i>M</i>(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (<i>M</i> = Nd, Sm or Gd)","Acta Crystallographica Section C","2000","56","10","e435","e436","10.1107/S0108270100012087","","","0.71073","MoKα","","0.012","0.012","","","","0.032","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011449","8.828","0.006","15.174","0.005","16.42","0.007","113.52","0.03","99.27","0.04","83.53","0.04","1987.6","1.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","trans-2,3-Dibenzoyl-2-butenedioic acide diethyl ester","","- C22 H20 O6 -","- C22 H20 O6 -","- C88 H80 O24 -","4","2","QA0371","Li, Yi-Zhi; Dai, Rong-Bin; Wu, An-Xin; Wang, Min; Li, Qin-Xi; Sun, Gang-Chun; Wang, Liu-Fang; Xia, Chun-Gu","Diethyl <i>trans</i>-2,3-dibenzoyl-2-butenedioate","Acta Crystallographica Section C","2000","56","10","e455","e456","10.1107/S0108270100011665","","","0.71073","MoKα","","0.018","0.017","","","","0.058","","","","","","0.927","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011450","8.8218","0.0005","9.8252","0.0006","10.1163","0.0006","90","","90","","90","","876.8","0.2","298","","298","","","","","","","","Synthetic","4","P b c a","-P 2ac 2ab","61","","","Mansfieldite","- Al As H4 O6 -","- Al As H4 O6 -","- Al8 As8 H32 O48 -","8","1","","Harrison, William T. A.","Synthetic mansfieldite, AlAsO~4~.2H~2~O","Acta Crystallographica, Section C","2000","56","","e421","e421","10.1107/S0108270100011690","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2011451","11.3793","0.0002","5.924","0.0001","12.1901","0.0001","90","","115.31","","90","","742.865","0.019","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl2 N4 Ni -","- C12 H16 Cl2 N4 Ni -","- C24 H32 Cl4 N8 Ni2 -","2","0.5","QA0378","Maxcy, Karen R.; Smith, Randy; Willett, Roger D.; Vij, Ashwani","Dichlorobis(1,2-phenylenediamine)nickel(II)","Acta Crystallographica Section C","2000","56","10","e454","e454","10.1107/S0108270100012476","","","0.71073","MoKα","","0.025","0.023","","","","0.057","","","","","","1.218","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011452","8.3328","0.0017","11.68","0.002","11.724","0.002","90","","106.92","0.03","90","","1091.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4-DMAP)2[SnCl6]","4-Dimethylaminopyridinium hexachlorostanate","","- C14 H22 Cl6 N4 Sn -","- C14 H22 Cl6 N4 Sn0.989 -","- C28 H44 Cl12 N8 Sn1.978 -","2","0.5","QA0379","Willett, Roger D.; Haddad, Salim F.","Bis[4-(dimethylamino)pyridinium] hexachlorostannate(IV)","Acta Crystallographica Section C","2000","56","10","e438","e438","10.1107/S0108270100012129","","","0.71073","MoKα","","0.032","0.025","","","","0.065","","","","","","1.186","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011453","30.523","0.006","8.4111","0.0017","13.914","0.003","90","","94.4","0.03","90","","3561.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(pyridinecarboxylato-O,N)(pyridinecarboxylic acid-O,N)manganese(III) hydroxide","","- C18 H14 Mn N3 O7 -","- C18 H14 Mn N3 O7 -","- C144 H112 Mn8 N24 O56 -","8","1","QA0380","Li, Yi-Zhi; Wang, Min; Wang, Liu-Fang; Xia, Chun-Gu","Bis(pyridinecarboxylato-<i>O</i>,<i>N</i>)(pyridinecarboxylic acid-<i>O</i>,<i>N</i>)manganese(III) hydroxide","Acta Crystallographica Section C","2000","56","10","e445","e446","10.1107/S0108270100012245","","","0.71073","MoKα","","0.029","0.029","","","","0.067","","","","","","0.86","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011454","17.304","0.004","13.055","0.003","19.444","0.004","90","","105.8","0.02","90","","4226.5","1.7","300","2","300","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H70 Cl Li N3 Ni O3 P3 -","- C30 H70 Cl Li N3 Ni O3 P3 -","- C120 H280 Cl4 Li4 N12 Ni4 O12 P12 -","4","1","QA0381","Kuchen, Wilhelm; Wunderlich, Hartmut","Three different functions of a phosphinic amidato ligand in <i>L</i>Ni(<i>L</i>Li)(<i>L</i>H) {<i>L</i> = [^<i>t^</i>Bu~2~P(O)NEt]^{-^}}","Acta Crystallographica Section C","2000","56","10","e434","e434","10.1107/S0108270100012075","","","0.71073","MoKα","","0.092","0.045","","","","0.133","","","","","","0.933","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011455","20.612","0.01","10.053","0.005","13.507","0.007","90","","127.264","0.007","90","","2227.5","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Br8 Cu N6 -","- C10 H12 Br8 Cu N6 -","- C40 H48 Br32 Cu4 N24 -","4","0.5","QA0382","Willett, Roger D.; Haddad, Salim F.; Twamley, Brendan","Bis(2,6-diamino-3,5-dibromopyridinium) tetrabromocuprate(II)","Acta Crystallographica Section C","2000","56","10","e437","e437","10.1107/S0108270100012105","","","0.71073","MoKα","","0.076","0.05","","","","0.129","","","","","","1.019","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011456","9.598","0.003","16.056","0.004","18.112","0.004","90","","100.88","0.02","90","","2741","1.3","173","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris(t-butyl-3-oxobutanoato)iron(III)","","- C24 H39 Fe O9 -","- C24 H39 Fe O9 -","- C96 H156 Fe4 O36 -","4","1","QA0385","Urs, Usha K.; Shalini, K.; Shivashankar, S. A.; Guru Row, T. N.","Low-temperature tris(<i>tert</i>-butyl 3-oxobutanoato)iron(III)","Acta Crystallographica Section C","2000","56","10","e448","e449","10.1107/S010827010001249X","","","0.71069","MoKα","","","0.062","","","","0.173","","","","","","0.906","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011457","9.3491","0.0015","9.7506","0.0012","10.3634","0.0016","83.938","0.011","75.667","0.012","64.891","0.01","828.8","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","Tetraimidazolium octamolybdate(VI)","","","- C12 H20 Mo8 N8 O26 -","- C12 H20 Mo8 N8 O26 -","- C12 H20 Mo8 N8 O26 -","1","0.5","QA0386","Gili, Pedro; Núñez, Pedro; Martín-Zarza, Pedro; Lorenzo-Luis, Pablo A.","A new inorganic‒organic hybrid: tetraimidazolium octamolybdate(VI) containing the β-form of the [Mo~8~O~26~]^4{-^} anion","Acta Crystallographica Section C","2000","56","10","e441","e442","10.1107/S0108270100012221","","","0.71069","MoKα","","0.031","0.024","","","","0.076","","","","","","0.927","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011458","13.798","0.003","9.335","0.0019","13.729","0.003","90","","107.42","0.03","90","","1687.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Br2 N2 O2 Sn -","- C10 H24 Br2 N2 O2 Sn -","- C40 H96 Br8 N8 O8 Sn4 -","4","1","QA0387","König, Uwe-Christoph; Berkei, Michael; Hirsch, Claudia; Preut, Hans; Mitchell, Terence Nigel","<i>cis</i>-Dibromo-<i>trans</i>-dimethyl-<i>cis</i>-bis(<i>N</i>,<i>N</i>-dimethylacetamide)tin(IV)","Acta Crystallographica Section C","2000","56","10","e452","e453","10.1107/S010827010001221X","","","0.71073","MoKα","","0.043","0.033","","","","0.078","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011459","9.3218","0.0007","9.3218","0.0007","73.631","0.008","90","","90","","120","","5541","0.8","170","2","170","2","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","(1S,2S)-1,2-bis(2'-thiophenyl)cyclopentane bis-(-)- menthylcarbonate","","- C39 H54 O4 S2 -","- C39 H54 O4 S2 -","- C234 H324 O24 S12 -","6","0.5","QA0388","Bates, Robert B.; Carducci, Michael D.; Diez, Anna; Forns, Pilar; Kane, Vinayak V.; Rubiralta, Mario","Absolute configuration of a <i>C</i>~2~-symmetric bis(thiophenol)","Acta Crystallographica Section C","2000","56","10","e484","e484","10.1107/S0108270100012506","","","0.71073","MoKα","","0.093","0.045","","","","0.119","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011460","5.7874","0.0007","7.5327","0.0007","25.3418","0.0019","90","","94.227","0.008","90","","1101.76","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","organofluorine derivative","N-arylenamine-3-chloro-4-fluoroaniline","","- C13 H9 Cl F N -","- C13 H9 Cl F N -","- C52 H36 Cl4 F4 N4 -","4","1","QD0015","Arjuna Gowda, K. V.; Kokila, M. K.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.","(<i>E</i>)-<i>N</i>-Benzylidene-3-chloro-4-fluoroaniline","Acta Crystallographica Section C","2000","56","10","e481","e482","10.1107/S0108270100012166","","","1.5418","CuKα","","0.041","0.035","","","","0.123","","","","","","0.976","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011461","10.574","0.003","12.983","0.004","19.239","0.006","90","","103.99","0.02","90","","2562.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(n-butyldiphenylphosphine)dichloro(η^6^-p-cymeme)ruthenium(II)","","- C26 H33 Cl2 P Ru -","- C26 H33 Cl2 P Ru -","- C104 H132 Cl8 P4 Ru4 -","4","1","QD0018","Bruno, Giuseppe; Panzalorto, Manuela; Nicoló, Francesco; Arena, Carmela Grazia; Cardiano, Paola","(<i>n</i>-Butyldiphenylphosphine)dichloro(η^6^-<i>p</i>-cymeme)ruthenium(II)","Acta Crystallographica Section C","2000","56","10","e429","e429","10.1107/S0108270100011896","","","0.71073","MoKα","","0.109","0.057","","","","0.159","","","","","","0.864","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011462","4.9475","0.0005","8.2059","0.0012","35.213","0.005","90","","90","","90","","1429.6","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Alanine-tryptophan monohydrate","","","- C14 H19 N3 O4 -","- C14 H19 N3 O4 -","- C56 H76 N12 O16 -","4","1","QD0019","Emge, T. J.; Agrawal, A.; Dalessio, J. P.; G. Dukovic; J. A. Inghrim; K. Janjua; M. Macaluso; L. L. Robertson; T. J. Stiglic; Y. Volovik; M. M. Georgiadis","Alaninyltryptophan hydrate, glycyltryptophan dihydrate and tryptophylglycine hydrate","Acta Crystallographica Section C","2000","56","10","e469","e471","10.1107/S0108270100011926","","","1.5418","CuKα","","0.029","0.026","","","","0.063","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011463","5.8404","0.0006","8.2429","0.0008","14.8299","0.001","90","","96.178","0.008","90","","709.79","0.11","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glycine-tryptophan dihydrate","","","- C13 H19 N3 O5 -","- C13 H19 N3 O5 -","- C26 H38 N6 O10 -","2","1","QD0019","Emge, T. J.; Agrawal, A.; Dalessio, J. P.; G. Dukovic; J. A. Inghrim; K. Janjua; M. Macaluso; L. L. Robertson; T. J. Stiglic; Y. Volovik; M. M. Georgiadis","Alaninyltryptophan hydrate, glycyltryptophan dihydrate and tryptophylglycine hydrate","Acta Crystallographica Section C","2000","56","10","e469","e471","10.1107/S0108270100011926","","","1.5418","CuKα","","0.035","0.034","","","","0.08","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011464","16.128","0.002","16.128","0.002","5.195","0.001","90","","90","","90","","1351.3","0.4","295","2","295","2","","","","","","","","4","P 41","P 4w","76","Tryptophan-glycine monohydrate","","","- C13 H17 N3 O4 -","- C13 H17 N3 O4 -","- C52 H68 N12 O16 -","4","1","QD0019","Emge, T. J.; Agrawal, A.; Dalessio, J. P.; G. Dukovic; J. A. Inghrim; K. Janjua; M. Macaluso; L. L. Robertson; T. J. Stiglic; Y. Volovik; M. M. Georgiadis","Alaninyltryptophan hydrate, glycyltryptophan dihydrate and tryptophylglycine hydrate","Acta Crystallographica Section C","2000","56","10","e469","e471","10.1107/S0108270100011926","","","1.5418","CuKα","","0.117","0.061","","","","0.147","","","","","","1.005","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2011465","7.415","0.003","8.353","0.004","24.406","0.01","90","","90","","90","","1511.6","1.1","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(S)-2-(Fluorodiphenylmethyl)pyrrolidinium chloride","","- C17 H19 Cl F N -","- C17 H19 Cl F N -","- C68 H76 Cl4 F4 N4 -","4","1","QD0021","Batsanov, Andrei S.; Howard, Judith A. K.","(‒)-(<i>S</i>)-2-(Fluorodiphenylmethyl)pyrrolidinium chloride","Acta Crystallographica Section C","2000","56","10","e467","e468","10.1107/S0108270100011914","","","0.71073","MoKα","","0.029","0.027","","","","0.067","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011466","5.643","0.002","15.625","0.008","17.641","0.008","90","","89.98","0.04","90","","1555.4","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Bis(thiocyanato)bis(diphenylthiourea)cadmium(II) dihydrate","","- C28 H28 Cd N6 O2 S4 -","- C28 H28 Cd N6 O2 S4 -","- C56 H56 Cd2 N12 O4 S8 -","2","0.5","QD0024","Zhu, Huai-Gang; Yang, Guang; Chen, Xiao-Ming; Ng, Seik Weng","<i>catena</i>-Poly[[[bis(<i>N</i>,<i>N</i>'-diphenylthiourea)cadmium(II)]-di-μ-thiocyanato] dihydrate]","Acta Crystallographica Section C","2000","56","10","e430","e431","10.1107/S0108270100011902","","","0.71073","MoKα","","0.058","0.037","","","","0.097","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011467","9.42","0.003","9.805","0.004","11.228","0.006","114.55","0.04","114.67","0.04","91.03","0.03","833.9","0.8","293","","","","","","","","","","","4","P -1","-P 1","2","","10-Ethyl-3-(4-methoxyphenyl)-1,2,4-triazolo[4'3':2,3]1,2,4- triazino[5,6-b]indole","","- C19 H16 N6 O -","- C19 H16 N6 O -","- C38 H32 N12 O2 -","2","1","QD0026","Shaban, Mohammed A. E.; Morgaan, Ali, E. A.; Chun, Hyungphil; Bernal, Ivan","10-Ethyl-3-(4-methoxyphenyl)-1,2,4-triazolo[4',3':2,3]-1,2,4-triazino[5,6-<i>b</i>]indole","Acta Crystallographica Section C","2000","56","10","e472","e473","10.1107/S010827010001194X","","","0.71073","MoKα","","0.208","0.053","","0.145","","0.115","","","0.831","","","1.223","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011468","7.1613","0.0005","7.1613","0.0005","11.6184","0.0008","90","","90","","120","","516.01","0.06","298","2","298","2","","","","","","","","4","P 63","P 6c","173","","","","- Cs O12 Se2 V3 -","- Cs O12 Se2 V3 -","- Cs2 O24 Se4 V6 -","2","0.333333","QD0027","Harrison, William T. A.","Caesium vanadium selenite, Cs(VO~2~)~3~(SeO~3~)~2~","Acta Crystallographica Section C","2000","56","10","e422","e422","10.1107/S0108270100011719","","","0.71073","MoKα","","0.031","0.029","","","","0.063","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011469","9.079","0.002","7.555","0.002","13.015","0.002","90","","104.1","0.01","90","","865.8","0.3","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","QD0028","Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro","2-Phenylmalonamide","Acta Crystallographica Section C","2000","56","10","e485","e486","10.1107/S0108270100011938","","","0.7107","MoKα","","","0.0378","","","","0.1043","","","","","","1.231","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011470","24.191","0.003","10.9675","0.0016","11.6115","0.0015","90","","106.644","0.009","90","","2951.6","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Co H14 K4 Mo6 N O31 -","- Co K4 Mo6 N O31 -","- Co4 K16 Mo24 N4 O124 -","4","0.5","QD0030","Lee, Uk; Joo, Hea Chung","Tripotassium hexahydrogenhexamolybdocobaltate(III) potassium nitrate tetrahydrate, K~3~[H~6~CoMo~6~O~24~]·KNO~3~·4H~2~O","Acta Crystallographica Section C","2000","56","10","e423","e424","10.1107/S0108270100012154","","","0.71069","MoKα","","0.057","0.042","","","","0.119","","","","","","1.087","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011471","7.5615","0.0002","11.1023","0.0004","20.9017","0.0005","90","","95.302","0.002","90","","1747.19","0.09","150","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 O7 -","- C16 H28 O7 -","- C64 H112 O28 -","4","1","QD0032","Light, Mark E.; Hursthouse, Michael B.","Methyl 2-hydroxy-2-[5'-hydroxy-5'-(1-hydroxy-1-methylethyl)-5,2'-dimethylperhydro-2,2'-bifuranyl-5-yl]acetate","Acta Crystallographica Section C","2000","56","10","e483","e483","10.1107/S0108270100012257","","","0.71073","MoKα","","","0.038","","","","0.1","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011472","19.519","0.001","14.269","0.001","26.068","0.002","90","","94.456","0.002","90","","7238.4","0.8","123.2","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4,5-Triphenyl-4H-imidazol-4-yl-hydroperoxide dichloromethane solvate (2:1)","","- C43 H34 Cl2 N4 O4 -","- C43 H34 Cl2 N4 O4 -","- C344 H272 Cl16 N32 O32 -","8","1","QD0033","Hu, Zhi Zhi; Takami, Shizuka; Kimura, Masaru; Tachi, Yoshimitsu; Naruta, Yoshinori","2,4,5-Triphenyl-4<i>H</i>-imidazol-4-yl hydroperoxide‒dichloromethane (2/1)","Acta Crystallographica Section C","2000","56","10","e465","e466","10.1107/S0108270100011720","","","1.5418","CuKα","","","0.051","","","","0.142","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011473","5.862","0.0019","12.3986","0.0016","26.854","0.003","90","","90","","90","","1951.8","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Sodium α-hydronitrilotriacetate dihydrate","","- C6 H12 N Na O8 -","- C6 H12 N Na O8 -","- C48 H96 N8 Na8 O64 -","8","1","QD0035","Kang, Jun-Gill; Hong, Jung-Pyo; Kang, Sung Kwon","Sodium hydrogen nitrilotriacetate dihydrate","Acta Crystallographica Section C","2000","56","10","e432","e433","10.1107/S0108270100012014","","","0.71073","MoKα","","0.056","0.038","","","","0.109","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011474","7.365","0.0015","10.311","0.002","12.311","0.003","78.45","0.03","84.36","0.03","84.38","0.03","908.6","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H21 Cl4 N O Sn2 -","- C9 H21 Cl4 N O Sn2 -","- C18 H42 Cl8 N2 O2 Sn4 -","2","1","QD0036","König, Uwe-Christoph; Berkei, Michael; Hirsch, Claudia; Preut, Hans; Mitchell, Terence Nigel","Chlorodimethyl(<i>N</i>-methylpyrrolidinone)tin(IV)-μ-chloro-dichlorodimethyltin(IV)","Acta Crystallographica Section C","2000","56","10","e450","e451","10.1107/S0108270100011963","","","0.71073","MoKα","","0.057","0.03","","","","0.063","","","","","","0.804","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011475","9.7083","0.0019","13.214","0.003","11.574","0.002","90","","92.11","0.03","90","","1483.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(3-tert-Butyl)-1-(2-picolyl) imidazolium] bromide.H~2~O","3-tert-Butyl-1-pyridin-2-ylmethyl-3H-imidazolium bromide-water (1/1)","","- C13 H20 Br N3 O -","- C13 H20 Br N3 O -","- C52 H80 Br4 N12 O4 -","4","1","QD0037","Kleinhenz, Sven; Tulloch, Arran A. D.; Danopoulos, Andreas A.","3-<i>tert</i>-Butyl-1-(2-pyridylmethyl)-3<i>H</i>-imidazolium bromide hydrate","Acta Crystallographica Section C","2000","56","10","e476","e476","10.1107/S0108270100012026","","","0.71073","MoKα","","0.036","0.029","","","","0.071","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011476","5.02","0.001","9.636","0.001","14.506","0.001","90","","98.232","0.004","90","","694.46","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-nitroindazole","","","- C7 H5 N3 O2 -","- C7 H5 N3 O2 -","- C28 H20 N12 O8 -","4","1","QD0040","Ooms, Frédéric; Norberg, Bernadette; Isin, Emre M.; Castagnoli, Neal Jr; Van der Schyf, Cornelis J.; Wouters, Johan","7-Nitroindazole","Acta Crystallographica Section C","2000","56","10","e474","e475","10.1107/S0108270100011975","","","1.5418","CuKα","","0.041","0.037","","","","0.109","","","","","","1.097","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011477","30.879","0.006","13.793","0.005","15.669","0.005","90","","115.68","0.02","90","","6014","3","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 N5 Ni S4 -","- C24 H36 N5 Ni S4 -","- C192 H288 N40 Ni8 S32 -","8","1","SK1387","Mochida, Tomoyuki; Suzuki, Shinya; Moriyama, Hiroshi; Terao, Hiroshi; Sugawara, Tadashi","Tetra-<i>n</i>-butylammonium bis(1,2-dimercaptoethene-1,2-dicarbonitrilato-<i>S</i>,<i>S</i>')nickel(III)","Acta Crystallographica Section C","2000","56","10","1183","1184","10.1107/S0108270100009094","","","0.7107","MoKα","","","0.041","","","","0.1048","","","","","","1.275","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011478","24.902","0.006","15.109","0.006","6.674","0.002","90","","90","","90","","2511.1","1.4","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","SK1403","Basu Baul, T. S.; Dhar, S.; Tiekink, E. R. T.","2-Hydroxy-5-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]benzoic acid","Acta Crystallographica Section C","2000","56","10","1280","1281","10.1107/S0108270100010118","","","0.71073","MoKα","","","0.034","","","","0.033","","","","","","1.65","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011479","14.7856","0.0003","7.7565","0.0001","11.9571","0.0002","90","","112.517","0.001","90","","1266.75","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[N-methyl-N-hydroxyethyl)amino]benzaldehyde thiosemicarbazone","","- C11 H16 N4 O S -","- C11 H16 N4 O S -","- C44 H64 N16 O4 S4 -","4","1","SK1408","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zhang, Xuan-Jun; Tian, Yu-Peng; Xie, Fu-Xin; Ma, Ji-Long","4-(<i>N</i>-Hydroxyethyl-<i>N</i>-methylamino)benzaldehyde thiosemicarbazone","Acta Crystallographica Section C","2000","56","10","1238","1239","10.1107/S0108270100010180","","","0.71073","MoKα","","0.0865","0.0611","","","","0.1166","","","","","","0.932","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011480","13.6731","0.0009","8.9078","0.0006","12.4539","0.0008","90","","120.07","0.001","90","","1312.7","0.15","306","2","306","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis-(3-nitrophenyl) disulfide","","- C12 H8 N2 O4 S2 -","- C12 H8 N2 O4 S2 -","- C48 H32 N8 O16 S8 -","4","0.5","SK1410","Cannon, Debbie; Glidewell, Christopher; Low, John N.; Wardell, James L.","Bis(3-nitrophenyl) disulfide forms no C—H···O hydrogen bonds","Acta Crystallographica Section C","2000","56","10","1267","1268","10.1107/S010827010001012X","","","0.71073","MoKα","","0.036","0.03","","","","0.089","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011481","9.2881","0.0012","11.9318","0.0013","8.8201","0.0007","91.607","0.008","92.081","0.009","112.925","0.009","898.73","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","oxythiamine hexafluorophosphate monohydrate","3-[(3,4-dihydro-2-methyl-4-oxopyrimidin-5-yl)methyl]- 5-(2-hydroxyethyl)-4-methylthiazolium hexafluorophosphate monohydrate","","- C12 H18 F6 N3 O3 P S -","- C12 H18 F6 N3 O3 P S -","- C24 H36 F12 N6 O6 P2 S2 -","2","1","SX1104","Hu, Ning-Hai; Kiyota, Yasuhiro; Aoki, Katsuyuki","Oxythiamine hexafluorophosphate monohydrate, a thiamine antagonist with the same conformation as thiamine","Acta Crystallographica Section C","2000","56","10","1284","1286","10.1107/S0108270100009847","","","0.71069","MoKα","","0.06","0.051","","","","0.154","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011482","7.692","0.003","16.825","0.003","13.7247","0.0018","90","","99.428","0.018","90","","1752.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,4-o-tolyl-3-azabicyclo[3.3.1]nonan-9-one","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","VJ1106","Vijayalakshmi, L.; Parthasarathi, V.; Venkatraj, M.; Jeyaraman, R.","2,4-Bis(<i>o</i>-tolyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section C","2000","56","10","1240","1241","10.1107/S0108270100009318","","","1.5418","CuKα","","0.086","0.064","","","","0.206","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011483","9.128","0.003","10.096","0.002","11.763","0.002","108.19","0.01","91.93","0.02","94.23","0.02","1025.2","0.4","293","2","150","0.1","","","","","","","","5","P -1","-P 1","2","Bis(acridine)(nitrato)silver","Bis(acridine)(nitrato-O,O')silver(I)","","- C26 H18 Ag N3 O3 -","- C26 H18 Ag N3 O3 -","- C52 H36 Ag2 N6 O6 -","2","1","AV1049","Sloufova, Ivana; Slouf, Miroslav","Bis(acridine-<i>N</i>)(nitrato-<i>O</i>,<i>O</i>')silver(I)","Acta Crystallographica Section C","2000","56","11","1312","1313","10.1107/S0108270100011392","","","0.71069","MoKα","","0.021","0.02","","","","0.056","","","","","","1.192","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011484","23.547","0.002","10.922","0.003","19.4876","0.0018","90","","113.34","0.007","90","","4601.7","1.4","289","2","289","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H59 N O11 S -","- C51 H59 N O11 S -","- C204 H236 N4 O44 S4 -","4","1","BJ1002","Kim, Jong Seung; Lee, Won Ku; Rim, Jeong Ah; Jensen, William P.; Lee, Jin-Ho; Kim, Moon-Jib; Kim, Jin-Gyu; Suh, Il-Hwan","25,27-(6-Tosyl-3,9-dioxa-6-azaundecane-1,11-diyldioxy)-26,28-(3,6,9-trioxaundecane-1,11-diyldioxy)calix[4]arene","Acta Crystallographica Section C","2000","56","11","1369","1371","10.1107/S0108270100010921","","","0.71069","MoKα","","0.2033","0.0808","","","","0.2063","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011485","9.416","0.0003","11.4361","0.0003","11.5642","0.0003","118.281","0.001","90.114","0.001","93.444","0.001","1093.98","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","tris(2-methylphenyl)phosphonium tetrachloroborate","","- C21 H22 B Cl4 P -","- C21 H22 B Cl4 P -","- C42 H44 B2 Cl8 P2 -","2","1","BJ1003","Burke, Jacquelyn M.; Howard, Judith A. K.; Marder, Todd B.; Wilson, Claire","Tris(2-methylphenyl)phosphonium tetrachloroborate","Acta Crystallographica Section C","2000","56","11","1354","1355","10.1107/S0108270100010623","","","0.71073","MoKα","","0.07","0.039","","","","0.09","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011486","13.383","0.005","13.038","0.004","8.372","0.003","90","","121.76","0.04","90","","1242.1","0.9","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-tetraaquabis(trifluoroacetato)manganese(II)","","- C4 H8 F6 Mn O8 -","- C4 H8 F6 Mn O8 -","- C16 H32 F24 Mn4 O32 -","4","0.5","BK1539","Olejnik, Zofia; Lis, Tadeusz","High-temperature phase of <i>trans</i>-tetraaquabis(trifluoroacetato-<i>O</i>)manganese(II)","Acta Crystallographica Section C","2000","56","11","1310","1311","10.1107/S0108270100011215","","","0.71073","MoKα","","0.05","0.042","","","","0.109","","","","","","1.108","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011487","11.3936","0.0003","8.2659","0.0002","16.984","0.0005","90","","90.675","0.0017","90","","1599.41","0.07","148","0.1","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","BK1550","Lloyd, Barry A.; Arif, Atta M.; Allred, Evan L.","A norbornenyl derivative with through-space ketone π-interaction","Acta Crystallographica Section C","2000","56","11","1377","1379","10.1107/S0108270100011185","","","0.71073","MoKα","","","0.041","","","","0.0898","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011488","11.1247","0.0015","10.4604","0.001","16.6259","0.0014","90","","93.951","0.009","90","","1930.1","0.4","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9-(2',2'-dimethyl-1'-pivaloxypropylidine)fluorene","","- C23 H26 O2 -","- C23 H26 O2 -","- C92 H104 O8 -","4","1","BK1551","Robinson, Paul D.; Lutfi, Hisham G.; Hou, Yuqing; Meyers, Cal Y.","Unexpected dipivaloylation of 9-lithiated fluorene: formation of 1-(fluoren-9-ylidene)-2,2-dimethylpropyl pivalate","Acta Crystallographica Section C","2000","56","11","1380","1382","10.1107/S0108270100011197","","","0.71069","MoKα","","0.107","0.05","","","","0.153","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011489","10.93","0.0009","12.7162","0.0011","15.7085","0.0013","90","","90","","90","","2183.3","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","tetracycline hydrochloride","[(4S,4aS,5aS,6R,12aS)-2-aminohydroxymethylene-1,2,3,4,4a,5,5a,6,11,12a-decahydro-6,10,12,12a-tetrahydroxy-6-methyl-1,3,11-trioxonaphthacen-4-yl]dimethylammonium chloride","","- C22 H25 Cl N2 O8 -","- C22 H25 Cl N2 O8 -","- C88 H100 Cl4 N8 O32 -","4","1","","Clegg, William; Teat, Simon J.","Tetracycline hydrochloride: a synchrotron micro-crystal study","Acta Crystallographica Section C","2000","56","11","1343","1345","10.1107/S0108270100010349","","","0.6883","synchrotron","","0.063","0.05","","","","0.116","","","","","","0.969","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011490","8.265","0.003","21.698","0.004","9.525","0.0017","90","","110.794","0.019","90","","1596.9","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","norfloxacin dihydrate","1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7(1-piperzinyl)-3-quinolinecarboxylic acid","","- C16 H22 F N3 O5 -","- C16 H22 F N3 O5 -","- C64 H88 F4 N12 O20 -","4","1","BM1423","Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; Wright, Elaine; Al-Rubayi, Ayad","Norfloxacin dihydrate","Acta Crystallographica Section C","2000","56","11","1372","1373","10.1107/S0108270100010933","","","0.71069","MoKα","","0.1753","0.0525","","","","0.1677","","","","","","0.962","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011495","14.2475","0.0002","14.9756","0.0003","20.7125","0.0005","92.144","0.002","91.799","0.002","90.246","0.002","4413.98","0.15","130","","","","","","","","","","","6","P -1","-P 1","2","","Tetrakis(diethylamino)phosphonium bromide hemihydrate","","- C16 H41 Br N4 O0.5 P -","- C16 H41 Br N4 O0.5 P -","- C128 H328 Br8 N32 O4 P8 -","8","4","DA1144","Liu, Yunqi; Fletcher, Michelle O.; Fronczek, Frank R.","Tetrakis(diethylamino)phosphonium bromide hemihydrate","Acta Crystallographica Section C","2000","56","11","1351","1353","10.1107/S0108270100010453","","","0.71073","MoKα","","0.082","0.036","","","","0.072","","","","","","0.89","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011496","8.749","0.002","8.486","0.002","17.325","0.003","90","","96.62","0.02","90","","1277.7","0.5","193","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","cis-dichloro(dimethyl sulfoxide-S)(2-methoxypyridine-N)platinum(II)","","- C8 H13 Cl2 N O2 Pt S -","- C8 H13 Cl2 N O2 Pt S -","- C32 H52 Cl8 N4 O8 Pt4 S4 -","4","1","DA1145","Georgia M. Arvanitis; Charles E. Holmes; Diana G. Johnson; Michael Berardini","<i>cis</i>-Dichloro(dimethyl sulfoxide-<i>S</i>)(2-methoxypyridine-<i>N</i>)platinum(II)","Acta Crystallographica Section C","2000","56","11","1332","1333","10.1107/S0108270100010465","","","0.71073","MoKα","","","0.029","","","","0.036","","","","","","1.42","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011497","8.795","0.004","15.958","0.005","8.903","0.004","90","","106.78","0.05","90","","1196.3","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Triazido[N-(2-aminoethyl)-1,3-propanediamine]cobalt(III)","","- C5 H15 Co N12 -","- C5 H15 Co N12 -","- C20 H60 Co4 N48 -","4","1","DA1147","Chun, Hyungphil; Bernal, Ivan","Triazidocobalt(III) complexes with tridentate amine ligands","Acta Crystallographica Section C","2000","56","11","1326","1329","10.1107/S0108270100011793","","","0.71073","MoKα","","0.1115","0.052","","0.1408","","0.1253","","","0.945","","","1.139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011498","8.56","0.003","9.404","0.002","16.149","0.004","90","","91.65","0.03","90","","1299.4","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Triazido[N,N-(2-aminoethyl)-methyl-1,3-propanediamine]cobalt(III)","","- C6 H17 Co N12 -","- C6 H17 Co N12 -","- C24 H68 Co4 N48 -","4","1","DA1147","Chun, Hyungphil; Bernal, Ivan","Triazidocobalt(III) complexes with tridentate amine ligands","Acta Crystallographica Section C","2000","56","11","1326","1329","10.1107/S0108270100011793","","","0.71073","MoKα","","0.0341","0.0221","","0.0599","","0.0569","","","1.045","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011499","9.804","0.0012","9.286","0.002","14.209","0.002","90","","94.267","0.014","90","","1290","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triazido[N-(3-aminopropyl)-1,3-propanediamine]cobalt(III)","","- C6 H17 Co N12 -","- C6 H17 Co N12 -","- C24 H68 Co4 N48 -","4","1","DA1147","Chun, Hyungphil; Bernal, Ivan","Triazidocobalt(III) complexes with tridentate amine ligands","Acta Crystallographica Section C","2000","56","11","1326","1329","10.1107/S0108270100011793","","","0.71073","MoKα","","0.0534","0.0253","","0.0652","","0.0603","","","1.025","","","1.139","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011500","8.848","0.005","8.931","0.002","9.606","0.003","105.98","0.02","90.51","0.04","106.99","0.03","694.6","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","Triazido[3,3'-diamino-N-methyldopropylamine]cobalt(III)","","- C7 H19 Co N12 -","- C7 H19 Co N12 -","- C14 H38 Co2 N24 -","2","1","DA1147","Chun, Hyungphil; Bernal, Ivan","Triazidocobalt(III) complexes with tridentate amine ligands","Acta Crystallographica Section C","2000","56","11","1326","1329","10.1107/S0108270100011793","","","0.71073","MoKα","","0.0351","0.0255","","0.0687","","0.0661","","","1.064","","","1.125","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011501","10.962","0.002","11.407","0.002","11.674","0.002","95.46","0.03","109.57","0.03","114.2","0.03","1207.8","0.7","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H66 Cl12 In4 N6 -","- C24 H66 Cl12 In4 N6 -","- C24 H66 Cl12 In4 N6 -","1","0.5","DE1146","Müller, Peter; Usón, Isabel; Prust, Jörg; Roesky, Herbert W.","Tetrameric indium trichloride, a new modification of a widely used compound","Acta Crystallographica Section C","2000","56","11","1300","1301","10.1107/S0108270100010362","","","0.71073","MoKα","","0.026","0.023","","","","0.054","","","","","","1.138","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011502","6.8865","0.0002","8.084","0.0002","9.8348","0.0001","70.542","0.001","75.896","0.001","71.249","0.001","483.083","0.019","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","N-Propiolyl-1,2-benzisoselenazol-3(2H)-one","","- C10 H9 N O2 Se -","- C10 H9 N O2 Se -","- C20 H18 N2 O4 Se2 -","2","1","DE1150","Peng, Yun Shan; Xu, Han Sheng; Naumov, Pance; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Abdul Razak, Ibrahim; Ng, Seik Weng","<i>N</i>-Propionyl-1,2-benzisoselenazol-3(2<i>H</i>)-one","Acta Crystallographica Section C","2000","56","11","1386","1388","10.1107/S0108270100011276","","","0.71073","MoKα","","0.0618","0.056","","","","0.1503","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011503","8.9714","0.0006","11.7112","0.0011","26.718","0.002","90","","97.271","0.005","90","","2784.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl methyl 1,4-dihydro-4-(3-nitrophenyl)-2,6-bis(1-piperidylmethyl)pyridine -3,5-dicarboxylate","","- C28 H38 N4 O6 -","- C28 H38 N4 O6 -","- C112 H152 N16 O24 -","4","1","FR1242","Duque, Julio; Novoa de Armas, Héctor; Pomés Hernández, Ramón; Suárez Navarro, Margarita; Ochoa Rodríguez, Estael; Salfrán, Esperanza; Verdecia Reyes, Yamila; Blaton, Norbert. M; Peeters, Oswald M.; De Ranter, Camiel J.","Ethyl methyl 1,4-dihydro-4-(3-nitrophenyl)-2,6-bis(1-piperidylmethyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","2000","56","11","1346","1347","10.1107/S0108270100010416","","","1.54178","CuKα","","0.063","0.054","","0.117","","0.27","","","1.205","","","1.205","","","","has coordinates","291312","2024-04-22","12:47:22",""
"2011504","28.227","0.006","5.991","0.003","12.873","0.003","90","","94.753","0.019","90","","2169.4","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Terephthaldehyde Thiosemicarbazone Bis-N,N-Dimethylformamide","","- C16 H26 N8 O2 S2 -","- C16 H26 N8 O2 S2 -","- C64 H104 N32 O8 S8 -","4","0.5","FR1278","Wu, De-Hong; He, Cheng; Duan, Chun-Ying; You, Xiao-Zeng","Terephthalaldehyde bis(thiosemicarbazone) bis(dimethylformamide) solvate","Acta Crystallographica Section C","2000","56","11","1336","1337","10.1107/S0108270100009914","","","0.71073","MoKα","","0.048","0.038","","","","0.11","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011505","21.466","0.003","8.167","0.001","9.495","0.003","90","","93.07","0.02","90","","1662.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Br2 N2 Ni O2 -","- C17 H14 Br2 N2 Ni O2 -","- C68 H56 Br8 N8 Ni4 O8 -","4","0.5","FR1285","Elmali, Ayhan; Zeyrek, C. Tuǧrul; Elerman, Yalc̨ın; Svoboda, Ingrid","[<i>N</i>,<i>N</i>'-Bis(5-bromosalicylidene)-1,3-diaminopropane]nickel(II) and [<i>N</i>,<i>N</i>'-bis(5-chlorosalicylidene)-1,3-diaminopropane]copper(II)","Acta Crystallographica Section C","2000","56","11","1302","1304","10.1107/S0108270100010428","","","0.71073","MoKα","","0.0933","0.032","","","","0.085","","","","","","0.966","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011506","21.022","0.003","8.14","0.002","9.416","0.003","90","","94.06","0.02","90","","1607.2","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cl2 Cu N2 O2 -","- C17 H14 Cl2 Cu N2 O2 -","- C68 H56 Cl8 Cu4 N8 O8 -","4","0.5","FR1285","Elmali, Ayhan; Zeyrek, C. Tuǧrul; Elerman, Yalc̨ın; Svoboda, Ingrid","[<i>N</i>,<i>N</i>'-Bis(5-bromosalicylidene)-1,3-diaminopropane]nickel(II) and [<i>N</i>,<i>N</i>'-bis(5-chlorosalicylidene)-1,3-diaminopropane]copper(II)","Acta Crystallographica Section C","2000","56","11","1302","1304","10.1107/S0108270100010428","","","0.71073","MoKα","","0.059","0.037","","","","0.106","","","","","","1.127","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011507","12.2436","0.0006","12.2436","0.0006","8.0708","0.0006","90","","90","","90","","1209.86","0.12","293","2","293","2","","","","","","","","7","P -4","P -4","81","","","","- C12 H22 Hg Mn N6 O4 S4 -","- C12 H22 Hg Mn N6 O4 S4 -","- C24 H44 Hg2 Mn2 N12 O8 S8 -","2","0.5","GD1102","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong; Liu, Jiu Rong; Lu, Guang Tian","Polymeric diaquatetra-μ-thiocyanato-manganese(II)mercury(II) bis(<i>N</i>,<i>N</i>-dimethylacetamide) solvate","Acta Crystallographica Section C","2000","56","11","1305","1307","10.1107/S010827010001043X","","","0.71073","MoKα","","0.0542","0.0328","","","","0.0758","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011508","18.858","0.007","3.864","0.001","8.19","0.007","90","","90","","90","","596.8","0.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","m-hydroxybenzaldehyde","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","GD1106","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Serra, A.C.","3-Hydroxybenzaldehyde","Acta Crystallographica Section C","2000","56","11","1348","1350","10.1107/S0108270100010441","","","0.71073","MoKα","","0.0548","0.0304","","","","0.0848","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011509","19.8403","0.0004","19.8403","0.0004","6.5068","0.0002","90","","90","","90","","2561.32","0.11","150","","150","","","","","","","","","3","P -4","P -4","81","","1,2-Diphenylbut-3-yn-2-ol","","- C16 H14 O -","- C16 H14 O -","- C128 H112 O8 -","8","2","GD1108","Madhavi, N. N. Laxmi; Desiraju, Gautam R.; Bilton, Clair; Howard, Judith A.K.; Allen, Frank H.","Racemic 1,2-diphenylbut-3-yn-2-ol","Acta Crystallographica Section C","2000","56","11","1359","1360","10.1107/S0108270100011343","","","0.71073","MoKα","","0.045","0.037","","","","0.092","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011510","6.55","0.001","16.931","0.003","6.493","0.001","90","","95.42","0.03","90","","716.8","0.2","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-ethynyl-4-hydroxycyclohexan-1-one","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","GD1109","Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. Laxmi; Desiraju, Gautam R.; Allen, Frank H.","4-Ethynyl-4-hydroxycyclohexan-1-one and 4-ethynyl-4-hydroxy-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one","Acta Crystallographica Section C","2000","56","11","1356","1358","10.1107/S0108270100011355","","","0.71073","MoKα","","0.102","0.055","","","","0.122","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011511","9.02","0.002","14.01","0.003","16.612","0.003","90","","93.56","0.03","90","","2095.2","0.8","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-ethynyl-4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-diene-1-one","","- C12 H14 O2 -","- C12 H14 O2 -","- C96 H112 O16 -","8","2","GD1109","Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. Laxmi; Desiraju, Gautam R.; Allen, Frank H.","4-Ethynyl-4-hydroxycyclohexan-1-one and 4-ethynyl-4-hydroxy-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one","Acta Crystallographica Section C","2000","56","11","1356","1358","10.1107/S0108270100011355","","","0.71073","MoKα","","0.093","0.052","","","","0.145","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011512","6.947","0.002","6.469","0.003","7.478","0.003","90","","110.51","0.03","90","","314.8","0.2","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2,3-Dihydro-3-methyl-2-nitriminothiazole","","- C4 H5 N3 O2 S -","- C4 H5 N3 O2 S -","- C8 H10 N6 O4 S2 -","2","0.5","GD1113","Kyzioł, Janusz; Daszkiewicz, Zdzisław; Zaleski, Jacek","2,3-Dihydro-3-methyl-2-nitrimino-1,3-thiazole","Acta Crystallographica Section C","2000","56","11","1401","1403","10.1107/S0108270100011604","","","0.71073","MoKα","","0.035","0.034","","","","0.097","","","","","","1.111","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011513","13.039","0.002","15.261","0.0016","21.319","0.005","90","","107.581","0.014","90","","4044.1","1.2","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 B9 S -","- C16 H25 B9 S -","- C128 H200 B72 S8 -","8","2","GD1115","Ellis, David; Rosair, Georgina M.; Robertson, Susan; Welch, Alan J.","7,8-Diphenyl-9-dimethylsulfido-10,11-μ-hydro-7,8-dicarba-<i>nido</i>-undecaborane(9)","Acta Crystallographica Section C","2000","56","11","1399","1400","10.1107/S0108270100011471","","","0.71073","MoKα","","0.0755","0.0496","","","","0.1291","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011514","7.247","0.004","57.94","0.003","5.048","0.004","90","","90","","90","","2120","2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,21-Henicosanediol","","","- C21 H44 O2 -","- C21 H44 O2 -","- C84 H176 O8 -","4","1","GG1020","Naotake Nakamura; Kenjiro Uno; Yoshihiro Ogawa","1,21-Henicosanediol","Acta Crystallographica Section C","2000","56","11","1389","1390","10.1107/S0108270100011288","","","1.5418","CuKα","","0.076","0.051","","0.09","","0.083","","","1.67","","","1.896","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011515","11.704","0.001","11.751","0.002","15.64","0.002","91.75","0.01","92.18","0.01","90.55","0.01","2148.3","0.5","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H55 N O6 P2 -","- C45 H55 N O6 P2 -","- C90 H110 N2 O12 P4 -","2","1","GG1021","Hökelek, Tuncer; Akduran, Nurcan; Begeç, Saliha; Kılıç, Adem; Kılıç, Zeynel","<i>N</i>-[Bis(2,4,6-trimethylphenoxy)phosphinoyl]-<i>P</i>,<i>P</i>,<i>P</i>-tris(2,4,6-trimethylphenoxy)phosphazene","Acta Crystallographica Section C","2000","56","11","1404","1406","10.1107/S010827010001177X","","","1.5418","CuKα","","","0.0683","","","","0.1993","","","","","","1.002","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011516","10.017","0.003","16.575","0.006","4.883","0.003","95.63","0.03","90.84","0.04","106.28","0.03","773.7","0.6","298","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cl2 N2 O4 -","- C14 H14 Cl2 N2 O4 -","- C28 H28 Cl4 N4 O8 -","2","1","GG1022","Eishima, Makoto; Ohba, Shigeru; Suzuki, Masumi; Nagasawa, Chiaki; Sugai, Takeshi","Racemic and chiral 1-[<i>N</i>-(chloroacetyl)carbamoylamino]-2,3-dihydro-1<i>H</i>-inden-2-yl chloroacetate","Acta Crystallographica Section C","2000","56","11","1391","1393","10.1107/S010827010001129X","","","0.71073","MoKα","","","0.051","","","","0.141","","","","","","1.02","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011517","11.409","0.002","4.595","0.002","15.667","0.001","90","","105.079","0.009","90","","793.1","0.4","298","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N2 O4 -","- C14 H14 Cl2 N2 O4 -","- C28 H28 Cl4 N4 O8 -","2","1","GG1022","Eishima, Makoto; Ohba, Shigeru; Suzuki, Masumi; Nagasawa, Chiaki; Sugai, Takeshi","Racemic and chiral 1-[<i>N</i>-(chloroacetyl)carbamoylamino]-2,3-dihydro-1<i>H</i>-inden-2-yl chloroacetate","Acta Crystallographica Section C","2000","56","11","1391","1393","10.1107/S010827010001129X","","","0.71073","MoKα","","","0.057","","","","0.126","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011518","17.202","0.002","10.9235","0.0018","22.3209","0.0016","90","","105.667","0.007","90","","4038.4","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris(nitrato-O,O')bis(triphenylphosphineoxide-O)(ethanol-O)-cerium(III)","","- C38 H36 Ce N3 O12 P2 -","- C38 H35 Ce N3 O12 P2 -","- C152 H140 Ce4 N12 O48 P8 -","4","1","GS1104","Levason, William; Newman, Elizabeth H.; Webster, Michael","(Ethanol-<i>O</i>)tris(nitrato-<i>O</i>,<i>O</i>')bis(triphenylphosphine oxide-<i>O</i>)cerium(III)","Acta Crystallographica Section C","2000","56","11","1308","1309","10.1107/S0108270100010842","","","0.71073","MoKα","","0.0541","0.0313","","","","0.0914","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011519","7.2821","0.0006","7.2821","0.0006","16.889","0.002","90","","90","","120","","775.62","0.13","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Sodium trivanadium disulfate hexahydroxide","","- H6 Na O14 S2 V3 -","- H6 Na O14 S2 V3 -","- H18 Na3 O42 S6 V9 -","3","0.0833333","IZ1003","Dobley, Arthur; Zavalij, Peter Y.; Whittingham, M. Stanley","Sodium trivanadium(III) bis(sulfate) hexahydroxide","Acta Crystallographica Section C","2000","56","11","1294","1295","10.1107/S0108270100011239","","","0.71073","MoKα","","0.0271","0.0263","","","","0.0719","","","","","","1.306","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011520","16.123","0.002","11.684","0.001","15.815","0.002","90","","90.74","0.01","90","","2979","0.6","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(P,P-di-tert-butylthiophosphinic-N-isopropylamidato-N,S)nickel(II)","","- C22 H50 N2 Ni P2 S2 -","- C22 H50 N2 Ni P2 S2 -","- C88 H200 N8 Ni4 P8 S8 -","4","1","JZ1401","Kuchen, Wilhelm; Wunderlich, Hartmut","Bis(di-<i>tert</i>-butylthiophosphinic isopropylamidato-<i>N</i>,<i>S</i>)nickel(II)","Acta Crystallographica Section C","2000","56","11","1296","1297","10.1107/S0108270100011264","","","0.71073","MoKα","","0.058","0.039","","","","0.116","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011521","10.193","0.002","14.477","0.003","12.092","0.002","90","","96.29","0.03","90","","1773.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5-Diazafluoren-9-ol","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C88 H64 N16 O8 -","8","2","NA1481","Tu, Chao; Zhu, Dun-Ru; Xu, Yan; Ke, Xiao-Kang; Guo, Zijian","4,5-Diazafluoren-9-ol","Acta Crystallographica Section C","2000","56","11","1334","1335","10.1107/S0108270100009823","","","0.71073","MoKα","","0.14","0.037","","","","0.085","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011522","7.1366","0.0005","16.0369","0.001","7.4236","0.0005","90","","98.121","0.001","90","","841.1","0.1","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis-(1,5-diazacyclooctane) nickel(II) bromide","","- C12 H28 Br2 N4 Ni -","- C12 H28 Br2 N4 Ni -","- C24 H56 Br4 N8 Ni2 -","2","0.5","OA1103","Du, Miao; Bu, Xian-He; Leng, Xue-Bing; Guo, Ya-Mei; Zhang, Ruo-Hua","Bis(1,5-diazacyclooctane-<i>N</i>,<i>N</i>')nickel(II) dibromide","Acta Crystallographica Section C","2000","56","11","1314","1315","10.1107/S0108270100011598","","","0.71073","MoKα","","","0.0253","","","","0.0649","","","","","","1.146","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011523","8.3945","0.0009","6.4096","0.0007","13.8798","0.0014","90","","103.899","0.004","90","","724.94","0.13","108","2","108","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4-vinylbenzoic acid","4-vinylbenzoic acid","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","OB1035","Yasuda, Nobuhiro; Uekusa, Hidehiro; Ohashi, Yuji","4-Vinylbenzoic acid and 9-vinylanthracene","Acta Crystallographica Section C","2000","56","11","1364","1366","10.1107/S0108270100010805","","","0.71073","MoKα","","0.0404","0.039","","","","0.1072","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011524","8.2876","0.0016","6.5504","0.0012","14.247","0.002","90","","102.651","0.008","90","","754.7","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4-vinylbenzoic acid","4-vinylbenzoic acid","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","OB1035","Yasuda, Nobuhiro; Uekusa, Hidehiro; Ohashi, Yuji","4-Vinylbenzoic acid and 9-vinylanthracene","Acta Crystallographica Section C","2000","56","11","1364","1366","10.1107/S0108270100010805","","","0.71073","MoKα","","0.062","0.0514","","","","0.1388","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011525","9.3213","0.0003","13.6798","0.0004","8.8957","0.0003","90","","109.467","0.001","90","","1069.48","0.06","123","2","123","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","9-vinylanthracene","9-vinylanthracene","","- C16 H12 -","- C16 H12 -","- C64 H48 -","4","1","OB1035","Yasuda, Nobuhiro; Uekusa, Hidehiro; Ohashi, Yuji","4-Vinylbenzoic acid and 9-vinylanthracene","Acta Crystallographica Section C","2000","56","11","1364","1366","10.1107/S0108270100010805","","","0.71073","MoKα","","0.0454","0.0412","","","","0.1151","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011526","9.3873","0.0005","13.9756","0.001","8.9889","0.0007","90","","110.066","0.001","90","","1107.7","0.13","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","9-vinylanthracene","9-vinylanthracene","","- C16 H12 -","- C16 H12 -","- C64 H48 -","4","1","OB1035","Yasuda, Nobuhiro; Uekusa, Hidehiro; Ohashi, Yuji","4-Vinylbenzoic acid and 9-vinylanthracene","Acta Crystallographica Section C","2000","56","11","1364","1366","10.1107/S0108270100010805","","","0.71073","MoKα","","0.0688","0.0556","","","","0.1508","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011527","12.455","0.005","12.401","0.005","11.14","0.005","90","","107.259","0.005","90","","1643.1","1.2","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C23 H20 O -","- C23 H20 O -","- C92 H80 O4 -","4","1","OB1037","Isobe, Shin-ichiro; Kubo, Kanji; Thiemann, Thies; Sawada, Tsuyoshi; Yonemitsu, Tadashi; Mataka, Shuntaro","Benzo[<i>i</i>]naphtho[<i>c</i>,<i>d</i>]bicyclo[5.4.1]dodecan-12-one","Acta Crystallographica Section C","2000","56","11","1367","1368","10.1107/S010827010001091X","","","0.71073","MoKα","","0.1569","0.0505","","","","0.1405","","","","","","0.991","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011528","5.317","0.0011","16.642","0.003","19.998","0.004","90","","90","","90","","1769.5","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O2 S2 -","- C19 H22 O2 S2 -","- C76 H88 O8 S8 -","4","1","OS1121","Kansikas, Jarno; Sipilä, Kaija","(1<i>S</i>,2<i>R</i>,2'<i>S</i>)- and (1<i>S</i>,2<i>S</i>,2'<i>S</i>)-1-phenyl-2-phenylthio-2-(tetrahydropyran-2'-ylthio)ethanol diastereoisomers at 193K","Acta Crystallographica Section C","2000","56","11","1383","1385","10.1107/S0108270100011161","","","0.71073","MoKα","","0.047","0.0405","","","","0.105","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011529","16.699","0.003","18.507","0.004","5.615","0.0011","90","","90","","90","","1735.3","0.6","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H22 O2 S2 -","- C19 H22 O2 S2 -","- C76 H88 O8 S8 -","4","1","OS1121","Kansikas, Jarno; Sipilä, Kaija","(1<i>S</i>,2<i>R</i>,2'<i>S</i>)- and (1<i>S</i>,2<i>S</i>,2'<i>S</i>)-1-phenyl-2-phenylthio-2-(tetrahydropyran-2'-ylthio)ethanol diastereoisomers at 193K","Acta Crystallographica Section C","2000","56","11","1383","1385","10.1107/S0108270100011161","","","0.71073","MoKα","","0.0357","0.032","","","","0.083","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011530","8.304","0.001","12.044","0.002","11.082","0.002","90","","92.47","0.01","90","","1107.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaqua(5-fluoro-uracil-1-acetato-O)-copper (II) tetrahydrate","","- C12 H24 Cu F2 N4 O16 -","- C12 H24 Cu F2 N4 O16 -","- C24 H48 Cu2 F4 N8 O32 -","2","0.5","QA0320","Huang, Jian; Li, Yi-Zhi; Sun, Gang-Chun; Dai, Rong-Bin; Li, Qin-Xi; Wang, Liu-Fang; Xia, Chun-Gu","Tetraaqua(5-fluorouracil-1-acetato-<i>O</i>)copper(II) tetrahydrate","Acta Crystallographica Section C","2000","56","11","e489","e490","10.1107/S0108270100013044","","","0.71073","MoKα","","0.021","0.02","","","","0.056","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011531","8.2186","0.0005","25.4368","0.0016","15.6604","0.001","90","","90","","90","","3273.9","0.4","93","2","93","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Bert*Cl","","","- C36 H49 Cl -","- C36 H49 Cl -","- C144 H196 Cl4 -","4","0.5","QA0383","Twamley, Brendan; Ned J. Hardman; Philip P. Power","A terphenyl halide series: 2,6-Trip~2~H~3~C~6~<i>X</i> (Trip = 2,4,6-triisopropylphenyl; <i>X</i> = Cl, Br, I)","Acta Crystallographica Section C","2000","56","11","e514","e515","10.1107/S0108270100013020","","","0.71073","MoKα","","0.093","0.047","","","","0.128","","","","","","0.912","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011532","8.2823","0.0014","25.831","0.004","15.856","0.003","90","","90","","90","","3392.2","1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Bert*Br","","","- C36 H49 Br -","- C36 H49 Br -","- C144 H196 Br4 -","4","0.5","QA0383","Twamley, Brendan; Ned J. Hardman; Philip P. Power","A terphenyl halide series: 2,6-Trip~2~H~3~C~6~<i>X</i> (Trip = 2,4,6-triisopropylphenyl; <i>X</i> = Cl, Br, I)","Acta Crystallographica Section C","2000","56","11","e514","e515","10.1107/S0108270100013020","","","0.71073","MoKα","","0.059","0.044","","","","0.114","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011533","8.11","0.0013","25.549","0.006","15.978","0.006","90","","90","","90","","3310.7","1.6","130","2","130","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Bert*I","","","- C36 H49 I -","- C36 H49 I -","- C144 H196 I4 -","4","0.5","QA0383","Twamley, Brendan; Ned J. Hardman; Philip P. Power","A terphenyl halide series: 2,6-Trip~2~H~3~C~6~<i>X</i> (Trip = 2,4,6-triisopropylphenyl; <i>X</i> = Cl, Br, I)","Acta Crystallographica Section C","2000","56","11","e514","e515","10.1107/S0108270100013020","","","0.71073","MoKα","","0.074","0.059","","","","0.186","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011534","12.193","0.006","14.439","0.008","16.531","0.009","65.93","0.02","86.36","0.03","71.46","0.03","2512","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H58 Au6 Cl4 F30 P6 -","- C100 H58 Au6 Cl4 F30 P6 -","- C100 H58 Au6 Cl4 F30 P6 -","1","0.5","QA0390","Bardají, Manuel; Laguna, Antonio; Villacampa, M. Dolores","Bis[bis(diphenylphosphinomethyl)phenylphosphine]dichlorotetragold(I) bis[chlorotris(pentafluorophenyl)aurate(III)]","Acta Crystallographica Section C","2000","56","11","e487","e488","10.1107/S0108270100012518","","","0.71073","MoKα","","0.086","0.049","","","","0.104","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011535","21.443","0.002","7.959","0.001","10.224","0.002","90","","90","","90","","1744.9","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","3α-Tosyloxymethyltropane(N^8^—B)‒borane","","- C16 H26 B N O3 S -","- C16 H26 B N O3 S -","- C64 H104 B4 N4 O12 S4 -","4","1","QA0392","Batsanov, Andrei S.; Howard, Judith A. K.; O'Hagan, David; Tavasli, Mustafa","3α-Tosyloxymethyltropane(<i>N</i>^8^‒<i>B</i>)borane","Acta Crystallographica Section C","2000","56","11","e512","e513","10.1107/S0108270100013019","","","1.54178","CuKα","","0.066","0.043","","0.115","","0.103","","","1.045","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011536","10.987","0.0016","6.033","0.0008","15.429","0.003","90","","103.989","0.006","90","","992.4","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Ternifoline C","ent-Kaur-16-ene-1,6,7,15-tetrol-7,20-epoxy-1-acetate","","- C22 H32 O6 -","- C22 H32 O6 -","- C44 H64 O12 -","2","1","QA0393","Cox, Philip J.; Meng, Yanhui; Sarker, Satyajit D.; Deng, Qinying; Xu, Guo","Redetermination of ternifoline-C at 150K","Acta Crystallographica Section C","2000","56","11","e516","e517","10.1107/S0108270100013032","","","0.71073","MoKα","","0.111","0.059","","","","0.143","","","","","","0.967","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011537","5.45","0.0011","9.741","0.0019","12.307","0.003","80.27","0.03","85.97","0.03","79.13","0.03","631.9","0.2","173","1","173","1","","","","","","","","5","P -1","-P 1","2","1-octanoyl-5-fluorouracil","5-fluoro-1-octanoylpyrimidine-2,4(1H,3H)-dione","","- C12 H17 F N2 O3 -","- C12 H17 F N2 O3 -","- C24 H34 F2 N4 O6 -","2","1","QA0395","Lehmler, Hans-Joachim; Parkin, Sean","5-Fluoro-1-octanoyluracil","Acta Crystallographica Section C","2000","56","11","e518","e519","10.1107/S0108270100013056","","","0.71073","MoKα","","0.072","0.041","","","","0.1","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011538","11.542","0.004","11.246","0.005","15.641","0.005","90","","105.43","0.03","90","","1957","1.3","294","2","294","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H28 N2 Se2 -","- C18 H28 N2 Se2 -","- C72 H112 N8 Se8 -","4","1","QA0396","Feldmann, Arnold A.; Schmengler, Kai; Laue, Klaus; Marose, Stefan; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.","Hydrogen bonding in <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediammonium bis(benzeneselenolate)","Acta Crystallographica Section C","2000","56","11","e531","e531","10.1107/S0108270100013986","","","0.71073","MoKα","","0.067","0.035","","","","0.085","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011539","11.505","0.002","5.298","0.001","16.886","0.002","90","","94.057","0.009","90","","1026.7","0.3","298","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O6 -","- C22 H21.684 N2 O6 -","- C44 H43.368 N4 O12 -","2","0.5","QA0399","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Fumaric acid‒<i>trans</i>-cinnamamide(1/2)","Acta Crystallographica Section C","2000","56","11","e507","e508","10.1107/S0108270100013007","","","0.71073","MoKα","","","0.038","","","","0.107","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011540","11.547","0.002","5.354","0.002","16.82","0.002","90","","94.6","0.01","90","","1036.5","0.4","298","1","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O6 -","- C22 H21.408 N2 O6 -","- C44 H42.816 N4 O12 -","2","0.5","QA0399","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Fumaric acid‒<i>trans</i>-cinnamamide(1/2)","Acta Crystallographica Section C","2000","56","11","e507","e508","10.1107/S0108270100013007","","","0.71073","MoKα","","","0.071","","","","0.175","","","","","","1.17","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011541","9.6821","0.0007","18.4661","0.0012","7.4203","0.0005","93.611","0.005","105.676","0.005","100.636","0.005","1246.43","0.15","298","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cl2 N2 O6 -","- C26 H22 Cl2 N2 O6 -","- C52 H44 Cl4 N4 O12 -","2","1","QA0400","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","4,5-Dichlorophthalic acid‒<i>trans</i>-cinnamamide(1/2) and 3,4,5,6-tetrachlorophthalic acid‒<i>trans</i>-cinnamamide(1/2)","Acta Crystallographica Section C","2000","56","11","e509","e510","10.1107/S010827010001338X","","","0.71073","MoKα","","","0.047","","","","0.198","","","","","","1.28","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011542","9.937","0.002","15.895","0.004","9.015","0.002","93.48","0.02","110.57","0.01","91.58","0.02","1328.8","0.5","298","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cl4 N2 O6 -","- C26 H20 Cl4 N2 O6 -","- C52 H40 Cl8 N4 O12 -","2","1","QA0400","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","4,5-Dichlorophthalic acid‒<i>trans</i>-cinnamamide(1/2) and 3,4,5,6-tetrachlorophthalic acid‒<i>trans</i>-cinnamamide(1/2)","Acta Crystallographica Section C","2000","56","11","e509","e510","10.1107/S010827010001338X","","","0.71073","MoKα","","","0.038","","","","0.113","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011544","10.1696","0.0009","6.9695","0.0007","21.526","0.002","90","","92.036","0.005","90","","1524.7","0.2","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-methyl-6-methylthio-1,3-dioxo-4-[(2,3,4,6-tetra-O-acetyl-β-D- glucopyranosyl)amino]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-7-carboxylate","","- C25 H29 N3 O13 S -","- C25 H29 N3 O13 S -","- C50 H58 N6 O26 S2 -","2","1","QA0402","Low, John Nicolson; Garcia, Celeste; Melguizo, Manuel; Cobo, Justo; Sánchez, Adolfo; Nogueras, Manuel; López, M. D.","Methyl 2-methyl-6-methylthio-1,3-dioxo-4-[(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)amino]-2,3-dihydro-1<i>H</i>-pyrrolo[3,4-<i>c</i>]pyridine-7-carboxylate","Acta Crystallographica Section C","2000","56","11","e526","e527","10.1107/S0108270100013512","","","0.71073","MoKα","","0.124","0.068","","","","0.16","","","","","","0.965","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011545","7.163","0.002","39.861","0.009","10.053","0.003","90","","107.4","0.02","90","","2739","1.3","298","1","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O10 -","- C28 H24 N2 O10 -","- C112 H96 N8 O40 -","4","0.5","QA0404","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Benzene-1,2,4,5-tetracarboxylic acid‒<i>trans</i>-cinnamamide(1/2)","Acta Crystallographica Section C","2000","56","11","e511","e511","10.1107/S0108270100013391","","","0.71073","MoKα","","","0.06","","","","0.158","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011546","7.8564","0.0007","17.4629","0.0016","9.7865","0.0016","90","","92.132","0.009","90","","1341.7","0.3","294","1","294","1","","","","","","","","6","P 1 21 1","P 2yb","4","","cis-μ-Chloro-μ-p-toluenethiolato-bis[chloro(triethylphosphine)palladium]","","- C19 H37 Cl3 P2 Pd2 S -","- C19 H37 Cl3 P2 Pd2 S -","- C38 H74 Cl6 P4 Pd4 S2 -","2","1","QA0405","Alyea, Elmer C.; Kannan, Shanmugaperumal; Ferguson, George","<i>cis</i>-μ-Chloro-μ-<i>p</i>-toluenethiolato-bis[chloro(triethylphosphine)palladium]","Acta Crystallographica Section C","2000","56","11","e493","e494","10.1107/S0108270100013408","","","0.71073","MoKα","","0.062","0.038","","","","0.068","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011547","11.575","0.003","4.3655","0.0006","15.647","0.004","90","","97.94","0.03","90","","783.1","0.3","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Trimethylphenol","","- C9 H12 O -","- C9 H12 O -","- C36 H48 O4 -","4","1","QA0407","Ziemer, Burkhard; Surygina, Oxana","2,4,6-Trimethylphenol","Acta Crystallographica Section C","2000","56","11","e528","e528","10.1107/S0108270100013524","","","0.71073","MoKα","","0.055","0.039","","","","0.108","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011548","6.1103","0.0002","20.699","0.001","11.7877","0.0005","90","","95.302","0.003","90","","1484.5","0.11","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Bis(2-(4-pyridyl)-4,4,5,5- tetramethylimidazoline-1-oxyl)Zinc(II) dithiocyanate.","","- C26 H32 N8 O2 S2 Zn -","- C26 H32 N8 O2 S2 Zn -","- C52 H64 N16 O4 S4 Zn2 -","2","0.5","QA0408","Fettouhi, Mohammed","Dithiocyanatobis[4,4,5,5-tetramethyl-2-(4-pyridyl-κ<i>N</i>)-1<i>H</i>-imidazoline-1-oxyl]zinc(II)","Acta Crystallographica Section C","2000","56","11","e495","e496","10.1107/S010827010001341X","","","0.71073","MoKα","","0.075","0.043","","","","0.117","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011549","9.7626","0.0006","12.428","0.0008","16.677","0.0007","90","","90","","90","","2023.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","1","QA0412","Roh, Soo-Gyun; Jeong, Jong Hwa","1,3,5-Tri-<i>p</i>-tolylbiuret","Acta Crystallographica Section C","2000","56","11","e529","e530","10.1107/S0108270100013536","","","0.71073","MoKα","","0.067","0.033","","","","0.095","","","","","","0.985","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011550","9.636","0.002","11.237","0.002","16.242","0.003","90","","94.49","0.01","90","","1753.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Br2 N6 Si -","- C32 H44 Br2 N6 Si -","- C64 H88 Br4 N12 Si2 -","2","0.5","QA0413","Bolte, Michael; Hensen, Karl; Faber, Alexander","Tetrakis(3,5-dimethylpyridine)dihydridosilicon dibromide bis(acetonitrile) solvate and 3,5-dimethylpyridinium bromide","Acta Crystallographica Section C","2000","56","11","e524","e525","10.1107/S0108270100013470","","","0.71073","MoKα","","0.076","0.054","","","","0.121","","","","","","1.109","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011551","7.504","0.002","8.144","0.003","8.522","0.003","117.8","0.01","113.43","0.01","93.01","0.01","404.1","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H10 Br N -","- C7 H10 Br N -","- C14 H20 Br2 N2 -","2","1","QA0413","Bolte, Michael; Hensen, Karl; Faber, Alexander","Tetrakis(3,5-dimethylpyridine)dihydridosilicon dibromide bis(acetonitrile) solvate and 3,5-dimethylpyridinium bromide","Acta Crystallographica Section C","2000","56","11","e524","e525","10.1107/S0108270100013470","","","0.71073","MoKα","","0.059","0.045","","","","0.097","","","","","","1.097","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011552","7.154","0.002","7.933","0.002","13.731","0.003","90","","90","","90","","779.3","0.3","173","2","173","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Cl4 Ge N2 -","- C12 H14 Cl4 Ge N2 -","- C24 H28 Cl8 Ge2 N4 -","2","0.25","QA0414","Bolte, Michael; Hensen, Karl; Faber, Alexander","<i>trans</i>-Tetrachlorobis(4-methylpyridine)germanium(IV)","Acta Crystallographica Section C","2000","56","11","e497","e498","10.1107/S0108270100013482","","","0.71073","MoKα","","0.034","0.026","","","","0.062","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011553","7.36","0.001","8.36","0.001","13.561","0.001","90","","90","","90","","834.4","0.16","173","2","173","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C12 H14 Br4 Ge N2 -","- C12 H14 Br4 Ge N2 -","- C24 H28 Br8 Ge2 N4 -","2","0.25","QA0420","Bolte, Michael; Hensen, Karl; Faber, Alexander","Complexes of germanium bromides with 4-picoline and 3,4-lutidine","Acta Crystallographica Section C","2000","56","11","e499","e500","10.1107/S0108270100014153","","","0.71073","MoKα","","0.047","0.028","","","","0.056","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011554","7.477","0.001","17.942","0.005","13.194","0.003","90","","90","","90","","1770","0.7","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C14 H18 Br4 Ge N2 -","- C14 H18 Br4 Ge N2 -","- C56 H72 Br16 Ge4 N8 -","4","","QA0420","Bolte, Michael; Hensen, Karl; Faber, Alexander","Complexes of germanium bromides with 4-picoline and 3,4-lutidine","Acta Crystallographica Section C","2000","56","11","e499","e500","10.1107/S0108270100014153","","","0.71073","MoKα","","0.055","0.036","","","","0.077","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011555","16.588","0.0014","8.3559","0.0007","23.4129","0.0018","90","","104.564","0.004","90","","3140.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H28 As6 N4 O26 Zn7 -","- C8 H28 As6 N4 O26 Zn7 -","- C32 H112 As24 N16 O104 Zn28 -","4","0.5","QA0423","Kongshaug, Kjell Ove; Fjellvåg, Helmer; Lillerud, Karl Petter","A three-dimensional open-framework zinc arsenate, (C~4~H~12~N~2~)~2~[Zn~7~(AsO~4~)~6~(H~2~O)~2~]","Acta Crystallographica Section C","2000","56","11","e503","e504","10.1107/S0108270100013548","","","0.71073","MoKα","","0.056","0.032","","","","0.065","","","","","","0.947","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011556","11.265","0.002","19.946","0.004","10.927","0.002","90","","103.65","0.03","90","","2385.9","0.8","167","2","167","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N3 Si3 -","- C18 H27 N3 Si3 -","- C72 H108 N12 Si12 -","4","1","QA0427","Kouvetakis, John; Groy, Thomas L.","2,4,6-Tris[2-(trimethylsilyl)ethynyl]-1,3,5-triazene: a novel precursor to C‒N two-dimensional structures","Acta Crystallographica Section C","2000","56","11","e533","e533","10.1107/S0108270100014165","","","0.71073","MoKα","","0.106","0.06","","","","0.158","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011557","17.4851","0.0007","17.4851","0.0006","16.2878","0.0009","90","","90","","90","","4979.6","0.4","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","2-Amino-6-chloro-4-(1-phenylethylamino)pyrimidine","","- C12 H13 Cl N4 -","- C12 H13 Cl N4 -","- C192 H208 Cl16 N64 -","16","1","QA0429","Lynch, Daniel E.; McClenaghan, Ian","2-Amino-6-chloro-4-(1-phenylethylamino)pyrimidine","Acta Crystallographica Section C","2000","56","11","e534","e534","10.1107/S0108270100014177","","","0.71073","MoKα","","0.09","0.051","","","","0.134","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011558","9.9036","0.0002","19.9452","0.0004","13.666","0.0003","90","","133.561","0.001","90","","1956.12","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Anilino-3-nitropyridine","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C88 H72 N24 O16 -","8","2","QA0430","Lynch, Daniel E.; McClenaghan, Ian","4-Anilino-3-nitropyridine","Acta Crystallographica Section C","2000","56","11","e535","e535","10.1107/S0108270100014189","","","0.71073","MoKα","","0.066","0.044","","","","0.12","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011559","13.6482","0.0002","14.1294","0.0002","14.1343","0.0002","119.958","0.0007","95.9391","0.0006","92.8349","0.0007","2332.6","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","4,6-Dichloro-2-methylthiopyrimidine","","- C5 H4 Cl2 N2 S -","- C5 H4 Cl2 N2 S -","- C60 H48 Cl24 N24 S12 -","12","6","QA0431","Lynch, Daniel E.; McClenaghan, Ian","4,6-Dichloro-2-(methylthio)pyrimidine","Acta Crystallographica Section C","2000","56","11","e536","e536","10.1107/S0108270100014190","","","0.71073","MoKα","","0.058","0.037","","","","0.099","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011560","5.0386","0.0001","10.3948","0.0002","12.7421","0.0003","67.2038","0.0012","84.4066","0.001","81.2678","0.0012","607.56","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-Chloro-3-(4-morpholino)-1,4-naphthoquinone","","- C14 H12 Cl N O3 -","- C14 H12 Cl N O3 -","- C28 H24 Cl2 N2 O6 -","2","1","QA0432","Lynch, Daniel E.; McClenaghan, Ian","2-Chloro-3-morpholino-1,4-naphthoquinone","Acta Crystallographica Section C","2000","56","11","e537","e537","10.1107/S0108270100014207","","","0.71073","MoKα","","0.044","0.039","","","","0.142","","","","","","1.16","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011561","10.642","0.003","11.719","0.002","10.977","0.003","90","","108.04","0.02","90","","1301.7","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1a,2a-Epoxy-24(R)-acyloxycholesta-4,6-dien-3-one hydrate","","- C29 H44 O5 -","- C29 H44 O5 -","- C58 H88 O10 -","2","1","QB9203","Rajalakshmi, K.; Pattabhi, Vasantha; Venkatesan, C. S.; Nadamuni, G.; Srikrishna, A.","24(<i>R</i>)-Acetyloxy-1α,2α-epoxycholesta-4,6-dien-3-one hydrate. Erratum","Acta Crystallographica Section C","2000","56","11","e538","e538","10.1107/S0108270100012993","","","1.5418","CuKα","","0.072","0.056","","","","0.162","","","","","","1.123","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011562","9.495","0.0011","8.4241","0.001","10.0938","0.0012","90","","95.876","0.002","90","","803.13","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","meso-2,2'-Diphenyl-3,3',4,4'-tetrahydro-2,2'-bifuran-5,5'(2H,2'H)-dione","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","0.5","QD0025","Billing, David G.; Holzapfel, Cedric W.; Blann, Kevin; Williams, D. Bradley G.","<i>meso</i>-2,2'-Diphenyl-3,3',4,4'-tetrahydro-2,2'-bifuran-5,5'(2<i>H</i>,2'<i>H</i>)-dione","Acta Crystallographica Section C","2000","56","11","e522","e523","10.1107/S0108270100013081","","","0.71073","MoKα","","0.067","0.046","","","","0.144","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011563","12.9459","0.0009","13.1082","0.0009","13.9889","0.0009","90","","90.3","0.002","90","","2373.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tris(benzohydroxamato)iron(III) trihydrate","","","- C21 H24 Fe N3 O9 -","- C21 H24 Fe N3 O9 -","- C84 H96 Fe4 N12 O36 -","4","1","QD0034","Marmion, Celine J.; Murphy, Terry; Starikova, Zoya; Nolan, Kevin B.","Redetermination of <i>fac</i>-tris(benzohydroxamato)iron(III) trihydrate","Acta Crystallographica Section C","2000","56","11","e491","e492","10.1107/S010827010001307X","","","0.71073","MoKα","","0.107","0.041","","","","0.072","","","","","","0.73","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011564","6.507","0.001","7.448","0.002","7.735","0.002","109.25","0.04","95.11","0.04","109.52","0.05","325.1","0.2","180","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H22 Cu N4 O8 -","- C6 H22 Cu N4 O8 -","- C6 H22 Cu N4 O8 -","1","0.5","QD0038","Chapman, James; Pickett, Nigel L.; Kolawole, Gabriel; Motevalli, Majid; O'Brien, Paul","<i>trans</i>-Bis[2,3-diamino-(<i>R</i>,<i>S</i>)-propionato-<i>N</i>,<i>N</i>']diaquacopper(II) dihydrate","Acta Crystallographica Section C","2000","56","11","e501","e502","10.1107/S0108270100013500","","","0.71073","MoKα","","","0.039","","","","0.106","","","","","","1.054","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011565","7.933","0.007","9.328","0.006","12.814","0.009","90","","91.76","0.04","90","","947.8","1.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3,5-Trichloro-2,4-dinitrobenzene","1,3,5-Trichloro-2,4-dinitrobenzene","","- C6 H Cl3 N2 O4 -","- C6 H Cl3 N2 O4 -","- C24 H4 Cl12 N8 O16 -","4","1","QD0039","Kruger, Paul E.; Mackie, Philip R.; Nieuwenhuyzen, Mark","Redetermination of 1,3,5-trichloro-2,4-dinitrobenzene","Acta Crystallographica Section C","2000","56","11","e532","e532","10.1107/S0108270100013998","","","0.71073","MoKα","","0.082","0.054","","","","0.154","","","","","","0.889","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011567","16.0495","0.0011","10.524","0.0013","15.6324","0.0012","90","","104.232","0.002","90","","2559.4","0.4","295","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Cl2 N2 O2 Zn -","- C28 H26 Cl2 N2 O2 Zn -","- C112 H104 Cl8 N8 O8 Zn4 -","4","0.5","SK1401","Ülkü, Dinçer; Arıcı, Cengiz; Tahir, M. Nawaz; Atakol, Orhan","Dichlorobis[2-(<i>o</i>-tolyliminiomethyl)phenolato-<i>O</i>]zinc(II)","Acta Crystallographica Section C","2000","56","11","1298","1299","10.1107/S0108270100009008","","","0.71073","MoKα","","","0.028","","","","0.037","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011568","11.682","0.002","38.168","0.006","14.245","0.002","90","","112.63","0.01","90","","5862.5","1.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(2,6-di-tert-butyl-4-methylphenoxo-) (triphenylphosphine oxide) samarium","","- C63 H84 O4 P Sm -","- C63 H84 O4 P Sm -","- C252 H336 O16 P4 Sm4 -","4","1","SK1411","Yao, Yingming; Shen, Qi; Yu, Kaibei","Tris(2,6-di-<i>tert</i>-butyl-4-methylphenolato-<i>O</i>)(triphenylphosphine oxide-<i>O</i>)samarium(III)","Acta Crystallographica Section C","2000","56","11","1330","1331","10.1107/S0108270100010192","","","0.71073","MoKα","","0.064","0.033","","0.084","","0.057","","","0.847","","","0.972","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011569","5.926","0.002","9.489","0.003","13.452","0.005","90","","90","","90","","756.4","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","bicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic anhydride","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","SK1412","Bolte, Michael; Degen, Alexander; Egert, Ernst","Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization","Acta Crystallographica Section C","2000","56","11","1338","1342","10.1107/S0108270100010131","","","0.71073","MoKα","","0.043","0.041","","","","0.11","","","","","","1.138","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011570","29.639","0.004","29.639","0.004","8.119","0.002","90","","90","","120","","6176.8","1.9","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic anhydride diethyl ether solvate","","- C9.64 H3.6 Cl6 O3.16 -","- C9.66333 H3.65 Cl6 O3.17 -","- C173.94 H65.7 Cl108 O57.06 -","18","1","SK1412","Bolte, Michael; Degen, Alexander; Egert, Ernst","Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization","Acta Crystallographica Section C","2000","56","11","1338","1342","10.1107/S0108270100010131","","","0.71073","MoKα","","0.046","0.032","","","","0.078","","","","","","1.06","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011571","10.999","0.002","7.389","0.001","10.41","0.002","90","","98.75","0.03","90","","836.2","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic acid","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","SK1412","Bolte, Michael; Degen, Alexander; Egert, Ernst","Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization","Acta Crystallographica Section C","2000","56","11","1338","1342","10.1107/S0108270100010131","","","0.71073","MoKα","","0.079","0.059","","","","0.152","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011572","7.499","0.001","7.924","0.002","11.873","0.002","90","","101.65","0.01","90","","691","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic acid","","- C9 H4 Cl6 O4 -","- C9 H4 Cl6 O4 -","- C18 H8 Cl12 O8 -","2","1","SK1412","Bolte, Michael; Degen, Alexander; Egert, Ernst","Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization","Acta Crystallographica Section C","2000","56","11","1338","1342","10.1107/S0108270100010131","","","0.71073","MoKα","","0.02","0.019","","","","0.048","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011573","8.443","0.001","24.809","0.001","13.594","0.001","90","","90.38","0.01","90","","2847.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic acid","","- C9 H4 Cl6 O4 -","- C9 H4 Cl6 O4 -","- C72 H32 Cl48 O32 -","8","2","SK1412","Bolte, Michael; Degen, Alexander; Egert, Ernst","Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization","Acta Crystallographica Section C","2000","56","11","1338","1342","10.1107/S0108270100010131","","","0.71073","MoKα","","0.03","0.026","","","","0.061","","","","","","1.142","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011574","8.616","0.003","9.281","0.002","10.46","0.004","100.53","0.02","94","0.02","95.06","0.02","816","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","ethyl 1,2,3,4,7,7-hexachloro-6-carboxybicyclo[2.2.1]hept-2-ene-endo-cis-5-carboxylate monohydrate","","- C11 H10 Cl6 O5 -","- C11 H10 Cl6 O5 -","- C22 H20 Cl12 O10 -","2","1","SK1412","Bolte, Michael; Degen, Alexander; Egert, Ernst","Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization","Acta Crystallographica Section C","2000","56","11","1338","1342","10.1107/S0108270100010131","","","0.71073","MoKα","","0.123","0.056","","","","0.136","","","","","","1.003","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011577","10.9465","0.0011","18.972","0.002","11.0469","0.0012","90","","110.643","0.002","90","","2146.9","0.4","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris(1,3-di-t-butyl-propane-1,3-dionato)(4-dimethylaminopyridine)terbium(III)","","- C40 H67 N2 O6 Tb -","- C40 H67 N2 O6 Tb -","- C80 H134 N4 O12 Tb2 -","2","1","SK1415","Clegg, William; Sage, Ian; Oswald, Iain; Brough, Peter; Bourhill, Grant; e-mail: bgourhill@dera.gov.uk","Two isostructural triboluminescent lanthanide complexes","Acta Crystallographica Section C","2000","56","11","1323","1325","10.1107/S0108270100011641","","","0.71073","MoKα","","0.031","0.029","","","","0.054","","","","","","1.186","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011578","10.9846","0.0005","18.9758","0.0008","11.0865","0.0005","90","","110.833","0.002","90","","2159.8","0.17","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris(1,3-di-t-butyl-propane-1,3-dionato)(4-dimethylaminopyridine)samarium(III)","","- C40 H67 N2 O6 Sm -","- C40 H67 N2 O6 Sm -","- C80 H134 N4 O12 Sm2 -","2","1","SK1415","Clegg, William; Sage, Ian; Oswald, Iain; Brough, Peter; Bourhill, Grant","Two isostructural triboluminescent lanthanide complexes","Acta Crystallographica Section C","2000","56","11","1323","1325","10.1107/S0108270100011641","","","0.71073","MoKα","","0.037","0.026","","","","0.047","","","","","","0.938","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011579","14.937","0.003","9.316","0.005","18.262","0.002","90","","98.877","0.012","90","","2510.8","1.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,17,20-trimethoxy-2,15-dioxapentacyclo[26.2.2.1^3,7^.0^16,21^]triaconta- 1(28),3,5,7(29),10,12,14(30),16,18,20,24927),25-dodecaene","","- C31 H30 O5 -","- C31 H30 O5 -","- C124 H120 O20 -","4","1","SX1103","Mombrú, Alvaro W.; Suescun, Leopoldo; Pandolfi, Enrique; Seoane, Gustavo; López, Gloria; Mariezcurrena, Raúl","Marchantin M trimethyl ether","Acta Crystallographica Section C","2000","56","11","1374","1376","10.1107/S0108270100011173","","","0.71069","MoKα","","0.1593","0.0544","","","","0.1933","","","","","","0.983","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011580","17.0481","0.0004","17.0481","0.0004","13.7568","0.0003","90","","90","","90","","3998.24","0.16","123","2","123","2","","","","","","","","5","I -4","I -4","82","Tetraphenylphosphonium perchlorate","Tetraphenylphosphonium perchlorate","","- C24 H20 Cl O4 P -","- C24 H20 Cl O4 P -","- C192 H160 Cl8 O32 P8 -","8","1","TA1294","Batten, Stuart R.; Harris, Alexander R.; Murray, Keith S.","Phase change in tetraphenylphosphonium perchlorate","Acta Crystallographica Section C","2000","56","11","1394","1395","10.1107/S0108270100011562","","","0.71073","MoKα","","0.0495","0.0381","","","","0.1037","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011581","10.306","0.003","12.953","0.004","28.826","0.009","90","","90","","90","","3848","2","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 I2 O6 P2 -","- C36 H44 I2 O6 P2 -","- C144 H176 I8 O24 P8 -","4","1","TA1297","Gainsford, Graeme J.; Lensink, Cornelis; Hart, Joanne B.; Falshaw, Andrew","1<small>D</small>-3,4-Di-<i>O</i>-(diphenylmethylphosphonio)-1,2,5,6-tetra-<i>O</i>-methyl-<i>chiro</i>-inositol diiodide","Acta Crystallographica Section C","2000","56","11","1396","1398","10.1107/S0108270100011574","","","0.71073","MoKα","","0.0271","0.0225","","","","0.0513","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011582","8.43","0.001","10.305","0.003","12.38","0.002","89.9","0.02","82.31","0.01","68.62","0.01","991.2","0.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56 Cu N2 P2 S4 -","- C38 H54 Cu N2 P2 S4 -","- C38 H54 Cu N2 P2 S4 -","1","0.5","TA1299","Horn, E.; Kurosawa, K.; Tiekink, E. R. T.","Bis[<i>N</i>-phenyl(dicyclohexylthiophosphinoyl)thiomethanamido-<i>S</i>,<i>S</i>']copper(II)","Acta Crystallographica Section C","2000","56","11","1319","1320","10.1107/S0108270100011586","","","0.71073","MoKα","","","0.044","","","","0.031","","","","","","1.75","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011583","12.499","0.002","13.173","0.002","14.615","0.003","85.16","0.02","79.05","0.02","66.15","0.02","2160.7","0.7","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H39 Cu N2 O2 P2 S2 -","- C50 H39 Cu N2 O2 P2 S2 -","- C100 H78 Cu2 N4 O4 P4 S4 -","2","1","TA1301","Nakahodo, T.; Horn, E.; Tiekink, E.R.T.","(Benzoxazole-2-thiolato-<i>S</i>)(benzoxazole-2-thione-<i>S</i>)bis(triphenylphosphine)copper(I)","Acta Crystallographica Section C","2000","56","11","1316","1318","10.1107/S0108270100011483","","","0.71073","MoKα","","","0.038","","","","0.026","","","","","","1.99","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011584","7.62","0.002","10.411","0.002","26.813","0.005","90","","97.92","0.02","90","","2106.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pyrazolo[3,4-d]pyrimidine","1-[4,6-dimethylthio-2H-pyrazolo[3,4-d]pyrimidin-2-yl]-4,6-dimethylthio-1H- pyrazolo[3,4-d]pyrimidine","","- C17 H20 N8 S4 -","- C17 H20 N8 S4 -","- C68 H80 N32 S16 -","4","1","VJ1110","Maulik, Prakas R.; Avasthi, Kamlakar; Sarkhel, Sanjay; Chandra, Tilak; Rawat, Diwan S.; Logsdon, Brad; Jacobson, Robert A.","Disappearance of intramolecular stacking due to one-atom movement or increment of a `propylene linker' in pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible models","Acta Crystallographica Section C","2000","56","11","1361","1363","10.1107/S0108270100010775","","","0.71073","MoKα","","0.0656","0.0519","","0.1688","","0.1424","","","0.836","","","0.804","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011585","31.736","0.007","8.308","0.002","17.467","0.004","90","","115.12","0.02","90","","4169.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pyrazolo[3,4-d]pyrimidine","1-[4-(4-methoxy-6-methylthio-1H-pyrazolo[3,4-d]pyrimidin-1-yl)butyl]- 5-methyl-6-methylthio-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one","","- C18 H22 N8 O2 S2 -","- C18 H22 N8 O2 S2 -","- C144 H176 N64 O16 S16 -","8","1","VJ1110","Maulik, Prakas R.; Avasthi, Kamlakar; Sarkhel, Sanjay; Chandra, Tilak; Rawat, Diwan S.; Logsdon, Brad; Jacobson, Robert A.","Disappearance of intramolecular stacking due to one-atom movement or increment of a `propylene linker' in pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible models","Acta Crystallographica Section C","2000","56","11","1361","1363","10.1107/S0108270100010775","","","0.71073","MoKα","","0.046","0.041","","","","0.121","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011586","7.6042","0.0008","9.0007","0.0011","10.8647","0.0016","97.974","0.019","98.5","0.02","108.63","0.02","683.06","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2,2'-bipyridinium diperchlorate","2,2'-bipyridinium diperchlorate","","- C10 H10 Cl2 N2 O8 -","- C10 H10 Cl2 N2 O8 -","- C20 H20 Cl4 N4 O16 -","2","1","AV1046","Ma, Guibin; Ilyukhin, Andrey; Glaser, Julius","2,2'-Bipyridinium bis(perchlorate)","Acta Crystallographica Section C","2000","56","12","1473","1475","10.1107/S0108270100012452","","","0.71073","MoKα","","0.086","0.048","","","","0.148","","","","","","1.014","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011587","11.824","0.002","17.573","0.002","11.96","0.002","90","","110.24","0.01","90","","2331.6","0.6","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-Diphenyl-2-(phenyldiazenyl)-2-tosylethanone","","- C27 H22 N2 O3 S -","- C27 H22 N2 O3 S -","- C108 H88 N8 O12 S4 -","4","1","AV1053","Wolf, Wojciech M.","1,2-Diphenyl-2-(phenyldiazenyl)-2-tosylethanone, an example of a fungicide containing a sulfonyl group","Acta Crystallographica Section C","2000","56","12","1444","1446","10.1107/S0108270100011537","","","1.54178","CuKα","","0.0564","0.0418","","","","0.1329","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011588","12.2978","0.0002","10.9183","0.0002","30.59","0.0005","90","","90","","90","","4107.35","0.12","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H20 B10 Co2 O5 S2 -","- C9 H20 B10 Co2 O5 S2 -","- C72 H160 B80 Co16 O40 S16 -","8","1","BJ1001","Londesborough, Michael G.S.; Bould, Jonathan; Holub, Josef; Kennedy, John D.; Thornton-Pett, Mark; Štíbr, Bohumil","[1,1,2,2-(CO)~4~-1,2-μ-(CO)-4,11-(SMe~2~)~2~-<i>closo</i>-1,2-Co~2~B~10~H~8~]","Acta Crystallographica Section C","2000","56","12","1423","1424","10.1107/S0108270100012282","","","0.71073","MoKα","","0.0517","0.0316","","","","0.0613","","","","","","1.026","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011589","17.94","0.003","8.9381","0.0008","19.8691","0.0016","90","","96.121","0.01","90","","3167.8","0.7","186","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Cr N10 O8 Pr -","- C18 H36 Cr N10 O8 Pr -","- C72 H144 Cr4 N40 O32 Pr4 -","4","1","BJ1006","Combs, Robert A.; Farmer, J. Matt; Kautz, Jason A.","A cyanide-bridged bimetallic complex, [CrPr(CN)~6~(C~3~H~7~NO)~4~(H~2~O)~3~]·H~2~O","Acta Crystallographica Section C","2000","56","12","1420","1422","10.1107/S010827010001204X","","","0.71073","MoKα","","0.0306","0.0266","","","","0.0706","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011590","5.4017","0.0005","8.3903","0.0007","4.6325","0.0004","102.237","0.007","93.676","0.008","104.154","0.006","197.46","0.03","293","2","293","2","","","","","","","","5","P 1","P 1","1","","Diaquabis[3,7-dihydro-1H-purine-2,6-dione]lithium(I)","","- C5 H7 Li N4 O4 -","- C5 H7 Li N4 O4 -","- C5 H7 Li N4 O4 -","1","1","BK1536","Okabe, Nobuo; Tsujita, Michihiro","<i>catena</i>-Poly[[diaqualithium(I)]-μ-[9<i>H</i>-purine-2,6(1<i>H</i>,3<i>H</i>)-dionato-<i>O</i>^2^:<i>N</i>^7^]]","Acta Crystallographica Section C","2000","56","12","1418","1419","10.1107/S0108270100011999","","","0.71073","MoKα","","0.055","0.032","","","","0.096","","","","","","0.868","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011591","9.166","0.003","14.603","0.003","12.192","0.003","90","","97.43","0.02","90","","1618.2","0.7","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-pyridine-2,6-carboxylato-N,O,O':O)bis[triaquamanganese(II)]‒ pyridine-2,6-dicarboxylic acid (1/2)","","- C28 H28 Mn2 N4 O22 -","- C28 H28 Mn2 N4 O22 -","- C56 H56 Mn4 N8 O44 -","2","0.5","BK1553","Okabe, Nobuo; Oya, Naomi","Bis(μ-pyridine-2,6-carboxylato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>)bis[triaquamanganese(II)]‒pyridine-2,6-dicarboxylic acid (1/2)","Acta Crystallographica Section C","2000","56","12","1416","1417","10.1107/S0108270100012786","","","0.71069","MoKα","","","0.037","","","","0.122","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011592","16.591","0.002","8.8487","0.0007","30.996","0.009","90","0.016","90","0.012","90","0.009","4550.5","1.5","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C32 H22 O4 -","- C32 H22 O4 -","- C256 H176 O32 -","8","2","BK1564","Potenza, Joseph A.; Emge, Thomas J.; Albaneze, Jennifer; Knapp, Spencer; Schugar, Harvey J.","A spiro-linked pyrene‒naphthoquinone","Acta Crystallographica Section C","2000","56","12","1494","1495","10.1107/S0108270100012750","","","1.5418","CuKα","","0.1253","0.0441","","","","0.0847","","","","","","0.99","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011593","11.9913","0.0002","19.8605","0.0003","25.1833","0.0003","90","","100.024","0.0009","90","","5905.93","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-N^2^]pyridine-N}zinc(II) diperchlorate bis(nitromethane) solvate","","- C60 H64 Cl2 N12 O12 Zn -","- C60 H64 Cl2 N12 O12 Zn -","- C240 H256 Cl8 N48 O48 Zn4 -","4","1","BM1431","Malcolm A. Halcrow; Colin A. Kilner; Mark Thornton-Pett","Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κ<i>N</i>^2^]pyridine-κ<i>N</i>}zinc(II) diperchlorate bis(nitromethane) solvate","Acta Crystallographica Section C","2000","56","12","1425","1426","10.1107/S0108270100012981","","","0.71073","MoKα","","0.086","0.048","","","","0.136","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011594","9.038","0.002","19.13","0.004","9.93","0.002","90","","108.79","0.02","90","","1625.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Au2 Cl2 Fe P2 -","- C34 H28 Au2 Cl2 Fe P2 -","- C68 H56 Au4 Cl4 Fe2 P4 -","2","0.5","BM1433","Crespo, Olga; Gimeno, M. Concepcion; Jones, Peter G.; Laguna, Antonio","Solvent-free [μ-ferrocene-1,1'-diylbis(diphenylphosphine-<i>P</i>)]bis[chlorogold(I)]","Acta Crystallographica Section C","2000","56","12","1433","1434","10.1107/S010827010001310X","","","0.71073","MoKα","","0.056","0.033","","","","0.0712","","","","","","0.899","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011595","7.748","0.002","14.164","0.003","6.268","0.002","91.54","0.02","95.3","0.02","88.25","0.02","684.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Triammonium cis-diaqua-cis-dioxo-trans-disulfatovanadate hemitrihydrate","","- H19 N3 O13.5 S2 V -","- H19 N3 O13.5 S2 V -","- H38 N6 O27 S4 V2 -","2","1","BR1299","Hashimoto, Masato; Kubata, Michiru; Yagasaki, Atsushi","(NH~4~)~3~[VO~2~(SO~4~)~2~(H~2~O)~2~]·1.5H~2~O","Acta Crystallographica Section C","2000","56","12","1411","1412","10.1107/S0108270100012063","","","0.71069","MoKα","","0.0427","0.0319","","","","0.1003","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011596","8.4915","0.0012","11.1454","0.0013","12.6558","0.0013","90","","90","","90","","1197.8","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- B4 K Li O7 -","- B4 K Li O7 -","- B32 K8 Li8 O56 -","8","2","BR1301","Ono, Yasuhiro; Nakaya, Michiko; Kajitani, Tsuyoshi; Sugawara, Tamotsu; Watanabe, Noriko; Shiraishi, Hiroyuki; Komatsu, Ryuichi","Lithium potassium borate and lithium rubidium borate: new non-linear optical crystals","Acta Crystallographica Section C","2000","56","12","1413","1415","10.1107/S0108270100013445","","","0.71073","MoKα","","","0.0244","","","","0.0553","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011597","8.6257","0.0012","11.2576","0.0013","12.8531","0.0015","90","","90","","90","","1248.1","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- B4 Li O7 Rb -","- B4 Li O7 Rb -","- B32 Li8 O56 Rb8 -","8","2","BR1301","Ono, Yasuhiro; Nakaya, Michiko; Kajitani, Tsuyoshi; Sugawara, Tamotsu; Watanabe, Noriko; Shiraishi, Hiroyuki; Komatsu, Ryuichi","Lithium potassium borate and lithium rubidium borate: new non-linear optical crystals","Acta Crystallographica Section C","2000","56","12","1413","1415","10.1107/S0108270100013445","","","0.71073","MoKα","","","0.05","","","","0.0754","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011598","11.665","0.003","10.614","0.002","11.121","0.004","90","","117.8","0.02","90","","1218","0.6","100","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-nitrobenzenesulfonyl)-2-amino isobutyric acid","","- C10 H12 N2 O6 S -","- C10 H12 N2 O6 S -","- C40 H48 N8 O24 S4 -","4","1","DA1155","Hammarström, Lars G. J.; Zhang, Tao; Giraldés, José; McLaughlin, Mark L.; Billodeaux, Damon R.; Fronczek, Frank R.","Two <i>N</i>-<i>ortho</i>-nitrobenzenesulfonyl α,α-disubstituted amino acid adducts","Acta Crystallographica Section C","2000","56","12","1484","1486","10.1107/S0108270100012464","","","0.71073","MoKα","","","0.042","","","","0.109","","","","","","1.031","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011599","15.978","0.0012","14.984","0.0011","13.436","0.001","90","","113.568","0.006","90","","2948.4","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-nitrobenzenesulfonyl)-1-amino-1-cyclohexane carboxylic acid","","- C13 H16 N2 O6 S -","- C13 H16 N2 O6 S -","- C104 H128 N16 O48 S8 -","8","2","DA1155","Hammarström, Lars G. J.; Zhang, Tao; Giraldés, José; McLaughlin, Mark L.; Billodeaux, Damon R.; Fronczek, Frank R.","Two <i>N</i>-<i>ortho</i>-nitrobenzenesulfonyl α,α-disubstituted amino acid adducts","Acta Crystallographica Section C","2000","56","12","1484","1486","10.1107/S0108270100012464","","","0.71073","MoKα","","0.072","0.043","","","","0.116","","","","","","1.093","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011600","12.225","0.005","15.052","0.005","14.135","0.005","90","","91.797","0.005","90","","2599.7","1.6","168","2","168","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetra-μ-acetato-O:O'-bis{[μ-1,4-bis(2-pyridyloxy)phenylene-N,C^2^:N',C^6^] dipalladium(II)} bis(trichloromethane) dihydrate","","- C42 H38 Cl6 N4 O14 Pd4 -","- C42 H34 Cl6 N4 O14 Pd4 -","- C84 H68 Cl12 N8 O28 Pd8 -","2","0.5","DE1153","O'Keefe, Brendan J.; Steel, Peter J.","Cyclometallated compounds. XV. A tetranuclear acetate-bridged cyclopalladated molecular box","Acta Crystallographica Section C","2000","56","12","1440","1441","10.1107/S0108270100011768","","","0.71073","MoKα","","0.095","0.05","","","","0.134","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011601","10.856","0.003","25.323","0.008","14.795","0.007","90","","94.68","0.03","90","","4054","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-Tetracarbonyl[bis(tricyclohexylphosphine)]molybdenum(0)","","- C40 H66 Mo O4 P2 -","- C40 H66 Mo O4 P2 -","- C160 H264 Mo4 O16 P8 -","4","1","FR1291","Cortes-Figueroa, Jose E.; Leon-Velazquez, Madeline S.; Ramos, Johanna; Jasinski, Jerry P.; Keene, David A.; Zubkowski, Jeffrey D.; Valente, Edward J.","<i>cis</i>-Tetracarbonylbis(tricyclohexylphosphine)molybdenum(0) and pentacarbonyl(tricyclohexylphosphine)molybdenum(0)","Acta Crystallographica Section C","2000","56","12","1435","1437","10.1107/S0108270100013111","","","0.71073","MoKα","","0.127","0.055","","","","0.08","","","","","","0.931","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011602","11.785","0.003","16.76","0.007","12.779","0.004","90","","92.15","0.02","90","","2522.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","pentacarbonyl(tricyclohexylphosphine)molybdenum(0)","","- C23 H33 Mo O5 P -","- C23 H33 Mo O5 P -","- C92 H132 Mo4 O20 P4 -","4","1","FR1291","Cortes-Figueroa, Jose E.; Leon-Velazquez, Madeline S.; Ramos, Johanna; Jasinski, Jerry P.; Keene, David A.; Zubkowski, Jeffrey D.; Valente, Edward J.","<i>cis</i>-Tetracarbonylbis(tricyclohexylphosphine)molybdenum(0) and pentacarbonyl(tricyclohexylphosphine)molybdenum(0)","Acta Crystallographica Section C","2000","56","12","1435","1437","10.1107/S0108270100013111","","","0.71073","MoKα","","0.074","0.045","","","","0.091","","","","","","0.901","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011603","8.767","0.002","12.228","0.002","8.6","0.003","94.12","0.02","90.07","0.03","105.44","0.01","886.2","0.4","293","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 N2 O6 -","- C17 H24 N2 O6 -","- C34 H48 N4 O12 -","2","1","FR1294","Smith, Graham; Bott, Raymond C.; Wermuth, Urs D.","The 1:1 adduct of Kemp's triacid with 2-aminopyridine","Acta Crystallographica Section C","2000","56","12","1505","1506","10.1107/S0108270100012968","","","0.7107","MoKα","","0.115","0.049","","","","0.168","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011604","18.6901","0.0019","10.031","0.002","17.781","0.002","90","","109.91","0.008","90","","3134.3","0.8","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cis,cis,cis-Tetramethyl 1,2,4,5-cyclohexanetetracarboxylate","","- C14 H20 O8 -","- C14 H20 O8 -","- C112 H160 O64 -","8","1","FR1298","Robinson, Paul D.; Hua, Duy H.; Fan, Jingmei; Liu, Lanzhu; McGill, James W.; Arshid, Mohammed; Meyers, Cal Y.","<i>cis</i>,<i>cis</i>,<i>cis</i>-Tetramethyl 1,2,4,5-cyclohexanetetracarboxylate","Acta Crystallographica Section C","2000","56","12","1471","1472","10.1107/S0108270100013123","","","0.71069","MoKα","","0.184","0.04","","","","0.128","","","","","","0.958","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011605","9.73","0.001","10.661","0.002","17.898","0.003","90","","90","","90","","1856.6","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-Gibberellin C","(+)-2β,4aα-dihydroxy-1,7-dimethyl-8-oxo-4bβ,7α-gibbane-1α,10β- dicarboxylic acid-1,4a-lactone","","- C19 H26 O7 -","- C19 H26 O7 -","- C76 H104 O28 -","4","1","FR1300","Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(+)-Gibberellin C: hydrogen-bonding pattern of the monohydrate of a non-racemic pentacyclic diterpenoid","Acta Crystallographica Section C","2000","56","12","1507","1509","10.1107/S0108270100013135","","","0.71073","MoKα","","0.117","0.053","","","","0.108","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011606","6.0507","0.0005","9.657","0.0009","15.4541","0.0014","82.093","0.008","78.738","0.006","75.898","0.005","855.08","0.13","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","2,2,4,4-Tetramethyl-1,5-diphenyl-6,7,8-trioxa-3-thiabicyclo[3.2.1]octane","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C40 H44 O6 S2 -","2","1","FR1303","Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D.","2,2,4,4-Tetramethyl-1,5-diphenyl-6,7,8-trioxa-3-thiabicyclo[3.2.1]octane","Acta Crystallographica Section C","2000","56","12","1510","1511","10.1107/S0108270100013147","","","0.71073","MoKα","","0.04","0.033","","","","0.097","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011607","13.908","0.002","15.3513","0.0018","7.186","0.0006","90","","90","","90","","1534.3","0.3","296","","296","","","","","","","","","3","C m c 21","C 2c -2","36","","sp-9-methyl-9-pivaloylfluorene","","- C19 H20 O -","- C19 H20 O -","- C76 H80 O4 -","4","0.5","GD1104","Meyers, Cal Y.; Lutfi, Hisham G.; Varol, Pninit; Hou, Yuqing; Robinson, Paul D.","The surprising <i>sp</i> rotameric structure of 9-methyl-9-pivaloylfluorene","Acta Crystallographica Section C","2000","56","12","1468","1470","10.1107/S010827010001235X","","","0.71069","MoKα","","0.072","0.043","","","","0.138","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011609","12.8258","0.0002","15.1039","0.0001","14.7734","0.0002","90","","114.228","0.001","90","","2609.82","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Zn^2+^]~2~[μ-{11,23-dimethyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^] hexacosa-1(25),2,7,9,11,13(26),14,19,21,23-decaene-25,26-diolato-N^3^, N^7^,O^25^,O^26^:N^15^,N^19^,O^25^,O^26^}]^2-^ 2[ClO~4~]^-^, bis(8-methylquinoline), 2(C~2~H~5~OH)","","- C48 H60 Cl2 N6 O14 Zn2 -","- C48 H60 Cl2 N6 O14 Zn2 -","- C96 H120 Cl4 N12 O28 Zn4 -","2","0.5","GG1016","Fang, Jiang-Lin; Huang, Wei; Chantrapromma, Suchada; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Gou, Shao-Hua; Wang, Hong-Sen","A donor‒acceptor compound composed of a dinuclear zinc(II) complex of a Robson macrocycle with 8-methylquinoline","Acta Crystallographica Section C","2000","56","12","1429","1430","10.1107/S0108270100012373","","","0.71073","MoKα","","0.073","0.044","","","","0.115","","","","","","0.94","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011610","18.526","0.004","6.96","0.0015","12.759","0.003","90","","109.512","0.016","90","","1550.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-chloro-1,3-benzoxazol-3-ium 2-[(3,4-dichlorophenyl)oxy]acetate","","- C15 H11 Cl3 N2 O4 -","- C15 H11 Cl3 N2 O4 -","- C60 H44 Cl12 N8 O16 -","4","1","GG1018","Lynch, Daniel E.; Daly, David; Parsons, Simon","2-Amino-5-chloro-1,3-benzoxazol-3-ium 2-(3,4-dichlorophenoxy)acetate","Acta Crystallographica Section C","2000","56","12","1478","1479","10.1107/S0108270100012385","","","1.5418","CuKα","","0.05","0.042","","","","0.115","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011611","8.018","0.008","20.134","0.013","7.389","0.008","90","","90","","90","","1192.8","1.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4'-Thio-α-thymidine(R)-S-oxide","","- C10 H14 N2 O5 S -","- C10 H13.604 N2 O5 S -","- C40 H54.416 N8 O20 S4 -","4","1","GS1102","Sun, Ming; Macculloch, Alasdair C.; Hamor, Thomas A.; Walker, Richard T.","5-Methyl-2'-deoxy-4'-thio-α-uridine (<i>R</i>)-<i>S</i>-oxide","Acta Crystallographica Section C","2000","56","12","1492","1493","10.1107/S0108270100012798","","","0.71073","MoKa","","0.0302","0.0299","","","0.0821","0.0822","","","","1.095","1.095","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011612","5.116","0.0001","13.008","0.0002","15.189","0.0001","90","","96.853","0.001","90","","1003.59","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis(3,5-dicarboxybenzoate-O)cobalt(II)","","- C18 H18 Co O16 -","- C18 H18 Co O16 -","- C36 H36 Co2 O32 -","2","0.5","GS1105","Guillou, Nathalie; Livage, Carine; Marrot, Jerôme; Férey, Gerard","Tetraaquabis(3,5-dicarboxybenzoato-<i>O</i>)cobalt(II)","Acta Crystallographica Section C","2000","56","12","1427","1428","10.1107/S0108270100012312","","","0.71073","MoKα","","0.03","0.025","","","","0.073","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011613","9.665","0.0005","19.662","0.0009","11.123","0.002","90","","89.602","0.005","90","","2113.7","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Piv-L-Sip-L-Ala-NH^i^Pr","N-(3,3-dimethyl-1-pivaloyl-1-aza-3-sila-5-cyclopentylcarbonyl)-L-alanine isopropylamide","","- C17 H33 N3 O3 Si -","- C17 H33 N3 O3 Si -","- C68 H132 N12 O12 Si4 -","4","2","GS1107","Vivet, Bertrand; Cavelier, Florine; Martinez, Jean; Didierjean, Claude; Marraud, Michel; Aubry, Andre","A silaproline-containing dipeptide","Acta Crystallographica Section C","2000","56","12","1452","1454","10.1107/S0108270100012294","","","0.7107","MoKα","","0.069","0.055","","","","0.143","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011614","5.6004","0.0002","11.8172","0.0005","17.865","0.007","90","","98.71","0.16","90","","1168.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Hydroxyphenyl 2-methylpyrazolo[1,5-a]pyrimidin-6-yl ketone","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","GS1109","Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson","2-Hydroxyphenyl 2-methylpyrazolo[1,5-<i>a</i>]pyrimidin-6-yl ketone","Acta Crystallographica Section C","2000","56","12","1455","1456","10.1107/S0108270100012324","","","0.71073","MoKα","","0.093","0.052","","","","0.144","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011615","7.4978","0.0015","11.265","0.002","12.322","0.003","108.12","0.03","99.38","0.03","94.75","0.03","966","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2,4-bis(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole","","- C25 H19 N O4 S -","- C25 H19 N O4 S -","- C50 H38 N2 O8 S2 -","2","1","GS1110","Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Hernández, Pedro; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","Weak and strong hydrogen-bonding patterns in the structure of 2,4-bis(2-hydroxybenzoyl)-2,3-dihydro-1<i>H</i>-pyrido[2,1-<i>b</i>][1,3]benzothiazole","Acta Crystallographica Section C","2000","56","12","1460","1461","10.1107/S0108270100012397","","","0.71073","MoKα","","0.0557","0.0411","","","","0.1107","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011616","12.513","0.0003","9.4275","0.0003","10.6441","0.0003","90","","90","","90","","1255.65","0.06","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5,5-dimethyl-3-(5-methyl-1H-pyrazol-3-ylamino)cyclohex-3-en-1-one","","- C12 H17 N3 O -","- C12 H17 N3 O -","- C48 H68 N12 O4 -","4","1","GS1111","Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Low, John Nicolson","5,5-Dimethyl-3-(5-methyl-1<i>H</i>-pyrazol-3-ylamino)cyclohex-3-en-1-one","Acta Crystallographica Section C","2000","56","12","1457","1459","10.1107/S0108270100012300","","","0.71073","MoKα","","0.057","0.048","","","","0.122","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011617","5.025","0.0003","7.0977","0.0003","10.1196","0.0005","70.826","0.003","81.868","0.003","81.163","0.003","335.25","0.03","153","2","153","2","","","","","","","","4","P -1","-P 1","2","2,3-Pyrazinedicarboxamide","Pyrazine-2,3-dicarboxamide","","- C6 H6 N4 O2 -","- C6 H6 N4 O2 -","- C12 H12 N8 O4 -","2","1","JZ1424","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Pyrazine-2,3-dicarboxamide","Acta Crystallographica Section C","2000","56","12","1512","1514","10.1107/S0108270100013421","","","0.71073","MoKα","","0.037","0.035","","","","0.101","","","","","","1.058","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011618","8.5877","0.0007","9.7161","0.0017","11.1425","0.001","113.138","0.008","97.516","0.004","98.551","0.007","826.92","0.19","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","bis(μ ~2~-hydroxo)bis(diipropylgallium). 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane","","- C26 H62 Ga2 N4 O2 -","- C26 H62 Ga2 N4 O2 -","- C26 H62 Ga2 N4 O2 -","1","0.5","JZ1426","Boag, Neil M.; Coward, Kathleen M.; Jones, Anthony C.; Pemble, Martyn E.; Thompson, J. Robin","Di-μ-hydroxo-bis(diisopropylgallium)‒1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane (1/1)","Acta Crystallographica Section C","2000","56","12","1438","1439","10.1107/S0108270100012816","","","0.71073","MoKα","","0.0319","0.0263","","0.0654","","0.0654","","","1.036","","","1.036","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011619","5.0955","0.0003","13.2155","0.0007","20.167","0.0011","90","","90","","90","","1358.04","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Phenylalanyl-L-valine","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","JZ1429","Görbitz, Carl Henrik","An NH~3~^+^···phenyl interaction in <small>L</small>-phenylalanyl-<small>L</small>-valine","Acta Crystallographica Section C","2000","56","12","1496","1498","10.1107/S0108270100012762","","","0.71073","MoKα","","0.03","0.0277","","","","0.0703","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011620","10.53","0.004","11.873","0.003","8.798","0.004","90.76","0.04","113.31","0.04","112.05","0.02","919.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","p-Toluenesulfon-(2-p-tolylthio)anilide","4-methyl-N-[2-(p-tolylsulfanyl)phenyl]benzenesulfonamide","","- C20 H19 N O2 S2 -","- C20 H19 N O2 S2 -","- C40 H38 N2 O4 S4 -","2","1","OA1105","Banerjee, Surajit; Mukherjee, Alok K.; Nandi, Bidisha; Kundu, Nitya G.; Helliwell, Madeleine","4-Methyl-<i>N</i>-[2-(<i>p</i>-tolylsulfanyl)phenyl]benzenesulfonamide","Acta Crystallographica Section C","2000","56","12","1490","1491","10.1107/S0108270100012725","","","1.5418","CuKα","","0.0645","0.0494","","","","0.1467","","","","","","1.031","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011621","11.331","0.003","10.183","0.002","9.962","0.002","90","","90","","90","","1149.5","0.4","296.2","","","","","","","","","","","3","I b a m","-I 2 2c","72","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","0.25","QA0384","Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro","1<i>H</i>,1'<i>H</i>-2,2'-Bibenzimidazole","Acta Crystallographica Section C","2000","56","12","e596","e597","10.1107/S0108270100014761","","","0.7107","MoKα","","","0.0425","","","","0.1274","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011622","8.3083","0.0007","11.5075","0.0009","13.36","0.002","90","","96.034","0.009","90","","1270.2","0.2","225","2","225","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H19 Cl2 N3 Ti -","- C6 H19 Cl2 N3 Ti -","- C24 H76 Cl8 N12 Ti4 -","4","1","QA0394","Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.","The pentacoordinate titanium complex [TiCl~2~(NMe~2~)~2~(HNMe~2~)]","Acta Crystallographica Section C","2000","56","12","e541","e541","10.1107/S0108270100014773","","","0.71073","MoKα","","0.048","0.03","","","","0.04","","","","","","1.294","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011623","15.87","0.001","7.3481","0.0008","14.262","0.001","90","","102.032","0.005","90","","1626.6","0.2","298.2","","298.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","lansoprazole","2-({[3-methyl-4-(2,2,2-trifluroethoxy)-2-pyridinyl]methyl}- sulfinyl)-1H-benzimidazole","","- C16 H14 F3 N3 O2 S -","- C16 H14 F3 N3 O2 S -","- C64 H56 F12 N12 O8 S4 -","4","1","QA0397","Vyas, K.; Sivalakshmidevi, A.; Om Reddy, G.","Lansoprazole, an antiulcerative drug","Acta Crystallographica Section C","2000","56","12","e572","e573","10.1107/S0108270100014943","","","1.5418","CuKα","","0.049","0.047","","0.078","","0.077","","","1.916","","","1.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011624","11.735","0.001","9.775","0.001","20.695","0.002","90","","90","","90","","2373.9","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(1,3-Dithian-2-yl)-2-phenylethanone","","- C12 H14 O S2 -","- C12 H14 O S2 -","- C96 H112 O8 S16 -","8","1","QA0403","Batsanov, Andrei S.; Howard, Judith A. K.; O'Hagan, David; Tavasli, Mustafa","1-(1,3-Dithian-2-yl)-2-phenylethanone","Acta Crystallographica Section C","2000","56","12","e567","e568","10.1107/S0108270100014785","","","0.71073","MoKα","","0.036","0.03","","","","0.08","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011625","11.385","0.002","9.951","0.002","20.745","0.004","90","","92.72","0.03","90","","2347.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cd(phen)(tren)](NO~3~)~2~(H~2~O)","(1,10-phenanthroline)[tris(2-aminoethyl)amine]cadmium(II) dinitrate hydrate","","- C18 H28 Cd N8 O7 -","- C18 H28 Cd N8 O7 -","- C72 H112 Cd4 N32 O28 -","4","1","QA0409","Zhang, Hao; Cai, Jiwen; Yang, Guang; Xue, Gen-Qiang; Ji, Liang-Nian","A supramolecular cadmium(II) complex: (1,10-phenanthroline)[tris(2-aminoethyl)amine]cadmium(II) dinitrate hydrate","Acta Crystallographica Section C","2000","56","12","e562","e563","10.1107/S0108270100016279","","","0.71073","MoKα","","0.035","0.03","","","","0.087","","","","","","1.096","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011626","8.854","0.001","12.122","0.001","17.708","0.002","90","","90","","90","","1900.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","eudesmane sesquiterpenoid","3β-angloyloxy-4αacetoxy-5αH-furanoeudesmane","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","QA0410","Wang, Qiguang; Ma, Chunling; Zhai, Jianjun","Furanoeudesmane-B, a new eudesmane sesquiterpenoid from <i>Myoporum bontioides</i>","Acta Crystallographica Section C","2000","56","12","e569","e569","10.1107/S0108270100014797","","","0.71073","MoKα","","0.056","0.04","","0.039","","0.039","","","1.421","","","1.421","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011627","18.085","0.0006","6.067","0.0002","15.983","0.0006","90","","113.28","0.002","90","","1610.9","0.1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-Benzyl-2-nitro-3-phenylpropanoate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","QA0411","Miller, Tod J.; Fu, Yanwen; Fronczek, Frank R.; Hammer, Robert P.","Ethyl 2-benzyl-2-nitro-3-phenylpropanoate","Acta Crystallographica Section C","2000","56","12","e574","e575","10.1107/S0108270100014955","","","0.71073","MoKα","","0.064","0.039","","","","0.094","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011628","6.559","0.0011","23.134","0.005","6.746","0.0012","90","","119.071","0.015","90","","894.7","0.3","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 N4 O12 -","- C10 H26 N4 O12 -","- C20 H52 N8 O24 -","2","0.5","QA0416","Bergstrom, Christina L.; Luck, Rudy L.; Luehrs, Dean C.","Tetraammonium benzene-1,2,4,5-tetracarboxylate tetrahydrate","Acta Crystallographica Section C","2000","56","12","e591","e591","10.1107/S0108270100015687","","","0.71069","MoKα","","","0.039","","","","0.104","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011629","11.13","0.002","11.732","0.002","12.258","0.002","99.66","0.02","110.34","0.01","110.23","0.01","1330.6","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H68 N6 Ni3 O16 -","- C46 H68 N6 Ni3 O16 -","- C46 H68 N6 Ni3 O16 -","1","0.5","QA0417","Martin, Cassandra J.; Hockless, David C. R.; Taylor, Max R.; Martin, Lisandra L.","Bis(di-μ-acetato-aqua{2-[<i>N</i>-ethyl-<i>N</i>-(2-hydroxy-4-methylbenzyl)aminomethyl]-1-methylbenzimidazole}nickel)nickel(II) tetrahydrate","Acta Crystallographica Section C","2000","56","12","e549","e549","10.1107/S0108270100014967","","","1.5418","CuKα","","0.099","0.058","","0.053","","0.047","","","1.927","","","1.75","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2011630","4.5377","0.0002","6.9065","0.0002","12.3009","0.0005","90","","90.372","0.002","90","","385.5","0.03","200","0.1","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H10 O3 -","- C8 H10 O3 -","- C16 H20 O6 -","2","1","QA0418","Harper, James K.; Arif, Atta M.; Li, J. Y.; Strobel, Gary; Grant, David M.","Terrein","Acta Crystallographica Section C","2000","56","12","e570","e571","10.1107/S0108270100014803","","","0.71073","MoKα","","","0.035","","","","0.09","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011631","15.995","0.002","6.865","0.001","21.934","0.005","90","","94.16","0.02","90","","2402.1","0.7","213","2","213","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C88 H104 N24 O32 -","8","2","QA0419","Swenson, Dale C.; Nair, Vasu; Bera, Sanjib","A dideoxydidehydronucleoside derivative","Acta Crystallographica Section C","2000","56","12","e600","e601","10.1107/S0108270100017005","","","0.71073","MoKα","","0.058","0.035","","","","0.098","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011632","15.1607","0.0007","12.786","0.0009","23.316","0.001","90","","90","","90","","4519.7","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H52 Cu2 F12 N10 O2 P2 -","- C30 H52 Cu2 F12 N10 O2 P2 -","- C120 H208 Cu8 F48 N40 O8 P8 -","4","0.5","QA0421","Kim, Jun Hwan; Roh, Soo-Gyun; Jeong, Jong Hwa","Di-μ-methoxo-bis({<i>N</i>,<i>N</i>'-bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-κ^3^<i>N</i>}copper(II)) bis(hexafluorophosphate)","Acta Crystallographica Section C","2000","56","12","e543","e544","10.1107/S0108270100014815","","","0.71073","MoKα","","0.149","0.069","","","","0.189","","","","","","1.38","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011633","19.096","0.003","19.096","0.003","19.096","0.003","90","","90","","90","","6963.5","1.9","120","2","120","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C70 H77 Li O4 S9 Ti2 -","- C69.96 H76.92 Li O3.99 S9 Ti2 -","- C279.84 H307.68 Li4 O15.96 S36 Ti8 -","4","0.333333","QA0422","Puke, Carsten; Schmengler, Kai; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.","The titanium‒thiolate complex [Li(C~4~H~8~O)~4~][Ti~2~(SC~6~H~5~)~9~]","Acta Crystallographica Section C","2000","56","12","e542","e542","10.1107/S0108270100014979","","","0.71073","MoKα","","0.0699","0.0462","","","","0.1269","","","","","","0.981","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2011634","7.5279","0.0003","10.4817","0.0004","24.7865","0.0011","90","","90","","90","","1955.78","0.14","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H21 Br4 N O Sn2 -","- C9 H21 Br4 N O Sn2 -","- C36 H84 Br16 N4 O4 Sn8 -","4","1","QA0424","König, Uwe-Christoph; Berkei, Michael; Hirsch, Claudia; Preut, Hans; Mitchell, Terence Nigel","Bromodimethyl(<i>N</i>-methylpyrrolidin-2-one-<i>O</i>)tin(IV)-di-μ-bromo-bromodimethyltin(IV)","Acta Crystallographica Section C","2000","56","12","e550","e551","10.1107/S0108270100014980","","","0.71069","MoKα","","0.06","0.036","","","","0.065","","","","","","0.903","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011635","8.307","0.0005","8.9554","0.0004","14.3472","0.0008","80.407","0.003","84.441","0.002","63.194","0.002","939.02","0.09","100","","100","","","","","","","","","3","P -1","-P 1","2","decabromodiphenyl ether","1-(2,3,4,5,6-pentabromophenoxy)-2,3,4,5,6-pentabromobenzene","","- C12 Br10 O -","- C12 Br10 O -","- C24 Br20 O2 -","2","1","QA0425","Mrse, Anthony A.; Watkins, Steven F.; Fronczek, Frank R.","Rerefinement of decabromodiphenyl ether from new area-detector data","Acta Crystallographica Section C","2000","56","12","e576","e577","10.1107/S0108270100015699","","","0.71073","MoKα","","0.117","0.043","","","","0.085","","","","","","0.892","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011636","9.3674","0.0003","11.0111","0.0003","13.6724","0.0004","94.198","0.001","92.139","0.001","98.968","0.001","1387.57","0.07","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","Chloro[eta^6^:eta^1^:eta^1^-{1-(3-(2-(diphenylphosphanyl)ethyl)benzyl) -3,5-dimethyl-1H-pyrazole}]ruthenium(II) trifluoromethanesulfonate","","- C27 H27 Cl F3 N2 O3 P Ru S -","- C27 H27 Cl F3 N2 O3 P Ru S -","- C54 H54 Cl2 F6 N4 O6 P2 Ru2 S2 -","2","1","QA0428","Therrien, Bruno; Ward, Thomas R.","Chloro(1-{3-[2-(diphenylphosphanyl-κ<i>P</i>)ethyl]-η^6^-benzyl}-3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)ruthenium(II) trifluoromethanesulfonate","Acta Crystallographica Section C","2000","56","12","e561","e561","10.1107/S0108270100015705","","","0.71073","MoKα","","0.075","0.051","","","","0.12","","","","","","1.183","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011637","10.004","0.002","17.151","0.004","14.472","0.003","90","","101.06","0.02","90","","2437","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tris-(2-benzoylamino-ethyl)amine","","- C27 H30 N4 O3 -","- C27 H30 N4 O3 -","- C108 H120 N16 O12 -","4","1","QA0433","Goldcamp, Michael J.; Krause Bauer, Jeanette A.; Baldwin, Michael J.","Tris[2-(benzoylamino)ethyl]amine","Acta Crystallographica Section C","2000","56","12","e602","e603","10.1107/S0108270100017017","","","0.71073","MoKα","","0.146","0.059","","","","0.165","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011638","12.282","0.003","12.407","0.003","4.2191","0.0008","90","","95.55","0.03","90","","639.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H8 Br2 N2 Pb -","- C10 H8 Br2 N2 Pb -","- C20 H16 Br4 N4 Pb2 -","2","0.25","QA0434","Cui, Yong; Ren, Jing; Chen, Gang; Yu, Weichao; Qian, Yitai","Poly[lead(II)-μ-4,4-bipyridine-<i>N</i>:<i>N</i>'-di-μ-bromo]","Acta Crystallographica Section C","2000","56","12","e552","e553","10.1107/S0108270100014992","","","0.71073","MoKα","","0.049","0.048","","","","0.128","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011639","6.371","0.004","8.824","0.008","34.303","0.01","90","","90","","90","","1928","2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C76 H112 N8 O16 -","4","1","QA0435","Fountoulaki, Fani; Renate Geßmann; Hans Brückner; Kokkinidis, Michael","The peptide (<i>Z</i>)-Pro‒Leuol","Acta Crystallographica Section C","2000","56","12","e578","e579","10.1107/S010827010001502X","","","1.5418","CuKα","","0.117","0.067","","0.093","","0.093","","","1.995","","","1.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011640","7.419","0.004","7.522","0.004","21.814","0.008","90","","90","","90","","1217.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Acetyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazole-3-one hydrate","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C48 H56 N8 O12 -","4","1","QA0436","Gloe, Karsten; Uzoukwu, Bieluonwu A.; Rademacher, Otto; 4-Acetyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazole-3-one hydrate","4-Acetyl-5-methyl-2-phenyl-1,2-dihydro-3<i>H</i>-pyrazol-3-one hydrate","Acta Crystallographica Section C","2000","56","12","e580","e581","10.1107/S0108270100015031","","","0.71073","MoKα","","0.042","0.037","","","","0.103","","","","","","1.059","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011641","7.0198","0.0002","12.0153","0.0005","24.669","0.002","90","","90","","90","","2080.7","0.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5α-9(11)(16)-pregnadien-3β-ol-20-oxime acetate","","- C23 H33 N O3 -","- C23 H33 N O3 -","- C92 H132 N4 O12 -","4","1","QA0437","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M.","20-Hydroxyimino-5α-pregna-9(11),16-dien-3β-yl acetate and 17-oxo-5α-androst-9(11)-en-3β-yl acetate","Acta Crystallographica Section C","2000","56","12","e582","e583","10.1107/S0108270100015043","","","1.5418","CuKα","","0.0459","0.0389","","0.111","","0.111","","","1.057","","","1.057","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011642","10.112","0.001","7.7821","0.0006","12.0922","0.0009","90","","91.73","0.01","90","","951.13","0.14","293","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","5α-9(11)-androsten-3β-ol-17-one acetate","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","QA0437","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M.","20-Hydroxyimino-5α-pregna-9(11),16-dien-3β-yl acetate and 17-oxo-5α-androst-9(11)-en-3β-yl acetate","Acta Crystallographica Section C","2000","56","12","e582","e583","10.1107/S0108270100015043","","","1.5418","CuKα","","0.078","0.0479","","0.147","","0.147","","","1.055","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011643","10.2673","0.0001","10.3671","0.0002","17.3596","0.0001","95.459","0.001","103.172","0.001","96.048","0.001","1775.57","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,3-diphenylpropane-1,3-dionato-O,O')(diphenyl sulfoxide-S)dioxouranium(VI)","","- C42 H32 O7 S U -","- C42 H32 O7 S U -","- C84 H64 O14 S2 U2 -","2","1","QA0438","Kannan, S.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","Bis(1,3-diphenylpropane-1,3-dionato-<i>O</i>,<i>O</i>')(diphenyl sulfoxide-<i>O</i>)dioxouranium(VI)","Acta Crystallographica Section C","2000","56","12","e545","e546","10.1107/S0108270100014827","","","0.71073","MoKα","","0.057","0.045","","","","0.107","","","","","","0.976","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011644","10.397","0.0015","10.397","0.0015","29.262","0.006","90","","90","","90","","3163.2","0.9","212","2","212","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","none","tetracis(diethyldithiocarbamato)tellurium(IV)","","- C20 H40 N4 S8 Te -","- C20 H40 N4 S8 Te -","- C80 H160 N16 S32 Te4 -","4","0.5","QA0439","Virovets, Alexander V.; Kalinina, Irina V.; Fedin, Vladimir P.; Fenske, Dieter","Tetragonal polymorphic modification of tetrakis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tellurium(IV)","Acta Crystallographica Section C","2000","56","12","e589","e590","10.1107/S0108270100015389","","","0.71073","MoKα","","0.04","0.029","","","","0.057","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2011645","22.3858","0.0004","22.3858","0.0004","22.3858","0.0004","90","","90","","90","","11218.1","0.3","150","0.1","150","1","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","Chlorotrineophylstannane","Chloro-Tris(2-Methyl-2-Phenylpropyl)-Tin","","- C30 H39 Cl Sn -","- C30 H39 Cl Sn -","- C480 H624 Cl16 Sn16 -","16","0.333333","QA0440","Low, John Nicolson; Wardell, J.; Bomfim, João a. S.; Wardell, Solange M. S. V.","Chlorotris(2-methyl-2-phenylpropyl)tin(IV) at 150K","Acta Crystallographica Section C","2000","56","12","e554","e554","10.1107/S0108270100015067","","","0.71073","MoKα","","0.063","0.042","","","","0.123","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011646","6.786","0.0014","9.174","0.0018","14.982","0.003","90","","101.42","0.03","90","","914.2","0.3","176","2","176","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Al2 Cl4 O2 Si2 -","- C6 H18 Al2 Cl4 O2 Si2 -","- C12 H36 Al4 Cl8 O4 Si4 -","2","0.5","QA0441","Kouvetakis, John; Ritter, Cole; Groy, Thomas L.","The centrosymmetric dimer of dichloro(trimethylsiloxy)aluminium","Acta Crystallographica Section C","2000","56","12","e564","e564","10.1107/S0108270100017261","","","0.71073","MoKα","","0.088","0.054","","","","0.155","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011647","21.763","0.002","22.955","0.002","30.767","0.002","90","","90","","90","","15370","2","150","2","150","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C98 H83 Ag B N P4 -","- C98 H83 Ag B N P4 -","- C784 H664 Ag8 B8 N8 P32 -","8","0.5","QA0442","Ellis, Dianne D.; Spek, Anthony L.","Tetrakis(triphenylphosphine)silver(I) tetraphenylborate acetonitrile solvate","Acta Crystallographica Section C","2000","56","12","e547","e548","10.1107/S0108270100015079","","","0.71073","MoKα","","0.128","0.058","","","","0.14","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011648","10.3124","0.0002","8.6888","0.0003","13.3156","0.0003","90","","97.2427","0.0015","90","","1183.59","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl-2-amino-4-phenyl-1,3-thiazole-5-carboxylate","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C48 H48 N8 O8 S4 -","4","1","QA0444","Lynch, Daniel E.; McClenaghan, Ian","Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate","Acta Crystallographica Section C","2000","56","12","e586","e586","10.1107/S0108270100015201","","","0.71073","MoKα","","0.043","0.037","","","","0.102","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011649","11.197","0.002","8.932","0.002","6.976","0.002","90","","90.21","0.02","90","","697.7","0.3","298","1","","","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-epi-inosose","(-)-2L-(2,3,4,6/5)-2,3,4,5,6-pentahydroxycyclohexanone","","- C6 H10 O6 -","- C6 H10 O6 -","- C24 H40 O24 -","4","2","QA0445","Hosomi, Hiroyuki; Ohba, Shigeru; Ogawa, Seiichiro; Takahashi, Atsushi","(‒)-<i>epi</i>-Inosose-2","Acta Crystallographica Section C","2000","56","12","e584","e585","10.1107/S0108270100015092","","","0.71073","MoKα","","","0.024","","","","0.068","","","","","","1.13","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011650","11.9231","0.0007","5.4888","0.0003","12.3788","0.0008","90","","91.527","0.003","90","","809.82","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Phenyl)thiosemicarbazide","","- C7 H9 N3 S -","- C7 H9 N3 S -","- C28 H36 N12 S4 -","4","1","QA0447","Lynch, Daniel E.; McClenaghan, Ian","Redetermination of 4-(phenyl)thiosemicarbazide","Acta Crystallographica Section C","2000","56","12","e587","e587","10.1107/S0108270100015390","","","0.71073","MoKα","","0.052","0.04","","","","0.132","","","","","","1.13","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011651","13.115","0.003","24.305","0.003","6.388","0.003","90","","90","","90","","2036.2","1.1","298.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 F3 N O4 -","- C21 H20 F3 N O4 -","- C84 H80 F12 N4 O16 -","4","1","QA0448","Sato, Shoichi; Yamazaki, Takashi; Shinohara, Noriyasu; Kitazume, Tomoya","(<i>S</i>)-4-Benzyl-3-[(<i>R</i>)-4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section C","2000","56","12","e592","e593","10.1107/S0108270100015717","","","0.7107","MoKα","","","0.0483","","","","0.1371","","","","","","1.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011652","6.7416","0.0001","9.8984","0.0002","17.3338","0.0003","90","","91.82","0.001","90","","1156.12","0.04","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Br4 N Ti -","- C6 H7 Br4 N Ti -","- C24 H28 Br16 N4 Ti4 -","4","1","QA0449","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Tetrabromo(2-methylpyridine-<i>N</i>)titanate(IV)","Acta Crystallographica Section C","2000","56","12","e565","e566","10.1107/S0108270100015407","","","0.71073","MoKα","","0.093","0.055","","0.106","0.095","0.106","","","1.088","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011653","7.0907","0.0014","8.0793","0.0016","23.07","0.005","90","","96.1","0.03","90","","1314.1","0.5","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-(methylfur-2-yl)-1-phenylpent-4-ene-1,3-dione","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","QA0450","Arrieta, Antonio F; Haglund, Kjersti Ann; Mostad, Arvid","Conjugation and hydrogen bonding in a curcumin analogue","Acta Crystallographica Section C","2000","56","12","e594","e595","10.1107/S0108270100015729","","","0.71073","MoKα","","0.06","0.04","","","","0.098","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011654","10.355","0.001","11.815","0.002","9.9","0.001","105.06","0.01","97.47","0.01","107.58","0.01","1086","0.3","298","1","","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H44 Co N7 O5 -","- C50 H42 Co N7 O5 -","- C50 H42 Co N7 O5 -","1","0.5","QA0451","Ohba, Shigeru; Eishima, Makoto; Seki, Hiroshi","Aquanitro(α,β,γ,δ-tetraphenylporphyrinato)cobalt(III) <i>N</i>,<i>N</i>-dimethylformamide disolvate","Acta Crystallographica Section C","2000","56","12","e555","e556","10.1107/S0108270100015109","","","0.71073","MoKα","","","0.043","","","","0.123","","","","","","1.01","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011655","6.601","0.002","12.721","0.002","14.072","0.001","90","","97.06","0.01","90","","1172.7","0.4","298","1","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Cl Co N6 O5 -","- C4 H16 Cl Co N6 O5 -","- C16 H64 Cl4 Co4 N24 O20 -","4","1","QA0452","Ohba, Shigeru; Eishima, Makoto","<i>trans</i>-Chlorobis(ethylenediamine-<i>N</i>,<i>N</i>')nitrocobalt(III) nitrate","Acta Crystallographica Section C","2000","56","12","e557","e558","10.1107/S0108270100015122","","","0.71073","MoKα","","","0.032","","","","0.082","","","","","","1.1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011656","8.349","0.002","12.644","0.003","6.556","0.003","103.19","0.03","105.11","0.03","77.3","0.02","641","0.4","298","1","","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H16 Cl2 Co N5 O6 -","- C4 H16 Cl2 Co N5 O6 -","- C8 H32 Cl4 Co2 N10 O12 -","2","1","QA0453","Ohba, Shigeru; Eishima, Makoto","<i>trans</i>-Chlorobis(ethylenediamine-<i>N</i>,<i>N</i>')nitrocobalt(III) perchlorate","Acta Crystallographica Section C","2000","56","12","e559","e560","10.1107/S0108270100015134","","","0.71073","MoKα","","","0.042","","","","0.112","","","","","","1.18","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011657","11.2926","0.0006","10.4429","0.0004","11.2028","0.0004","90","","115.829","0.015","90","","1189.14","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-3-pyrrolidino-1,4-naphthoquinone","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","QA0454","Lynch, Daniel E.; McClenaghan, Ian","2-Chloro-3-(pyrrolidin-1-yl)-1,4-naphthoquinone","Acta Crystallographica Section C","2000","56","12","e588","e588","10.1107/S0108270100015730","","","0.71073","MoKα","","0.084","0.044","","","","0.118","","","","","","0.972","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011658","6.0228","0.0003","24.792","0.001","12.189","0.001","90","","100.928","0.001","90","","1787.02","0.19","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(4-Acetyl-3,5-dihydroxy-2-methylphenoxy)-4,6-dimethoxy-3-methylbenzoic acid","","- C19 H20 O8 -","- C19 H20 O8 -","- C76 H80 O32 -","4","1","QA0457","Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Saewon, Nisakorn; Karalai, Chatchanok; Chantrapromma, Kan","2-(4-Acetyl-3,5-dihydroxy-2-methylphenoxy)-4,6-dimethoxy-3-methylbenzoic acid","Acta Crystallographica Section C","2000","56","12","e598","e599","10.1107/S0108270100016280","","","0.71073","MoKα","","0.136","0.08","","","","0.231","","","","","","0.961","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011659","7.2902","0.0007","23.644","0.002","12.0207","0.0009","90","","106.448","0.006","90","","1987.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(N-methyl-2-chloropyridinium)-iodide-triiodide","","","- C12 H14 Cl2 I4 N2 -","- C12 H14 Cl2 I4 N2 -","- C48 H56 Cl8 I16 N8 -","4","1","QA0458","Heigel, Erik; Bock, Hans; Seibel, Andreas","Bis(2-chloro-<i>N</i>-methylpyridinium) iodide triiodide","Acta Crystallographica Section C","2000","56","12","e604","e605","10.1107/S0108270100017315","","","0.71073","MoKα","","0.048","0.036","","","","0.085","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011660","5.31997","0.00014","5.31997","0.00014","9.5567","0.0003","90","","90","","120","","234.238","0.011","295","","295","","","","","","","","","3","P 3","P 3","143","Sodium Titanate","sodium titanate","","- Na4 O12 Ti5 -","- Na4 O12 Ti5 -","- Na4 O12 Ti5 -","1","0.333333","QD0006","Avdeev, Maxim; Kholkin, Andrei","Low-temperature Na~4~Ti~5~O~12~ from X-ray and neutron powder diffraction data","Acta Crystallographica Section C","2000","56","12","e539","e540","10.1107/S0108270100014839","","","1.54056","CuKα~1~","","","","","","","","","","5.37","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011661","29.456","0.006","15.44","0.003","8.19","0.0016","90","","99.52","0.03","90","","3673.5","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4-nitrobenzyl)maleonitriledithioether","","- C18 H12 N4 O4 S2 -","- C18 H12 N4 O4 S2 -","- C144 H96 N32 O32 S16 -","8","1","SK1375","Ren, Xiao-Ming; Xu, Yan; Hu, Chuan-Jiang; Meng, Qing-Jin; Lu, Chang-Sheng; Wang, Hua-Ting","2,3-Bis(4-nitrobenzylthio)maleonitrile","Acta Crystallographica Section C","2000","56","12","1499","1500","10.1107/S010827010001283X","","","0.71073","MoKα","","0.0663","0.0332","","","","0.1004","","","","","","1.012","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011662","7.47","0.001","14.681","0.002","27.079","0.004","90","","90","","90","","2969.7","0.7","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","alpha-Onocerin","8(26),14(27)-Onoceradiene-3,21-diol","","- C30.5 H50.5 Cl1.5 O2 -","- C30.5 H50.5 Cl1.5 O2 -","- C122 H202 Cl6 O8 -","4","1","SK1405","Fröhlich, Roland; Pauli, Guido F.","α-Onocerin chloroform hemisolvate","Acta Crystallographica Section C","2000","56","12","1476","1477","10.1107/S0108270100012403","","","1.54178","CuKα","","0.127","0.076","","","","0.228","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011663","29.038","0.006","7.233","0.001","9.629","0.002","90","","95.45","0.03","90","","2013.3","0.7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","glycyl-dl-leucine","dl-2-(2-amino-acetylamino)-4-metyhl-pentanoic acid","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C64 H128 N16 O24 -","8","1","SK1407","Bombicz, Petra; Dittrich, Birger; Strumpel, Marianna; Nabein, Hans-Peter; Luger, Peter","Racemic dipeptide glycyl-<small>DL</small>-leucine at 120K","Acta Crystallographica Section C","2000","56","12","1447","1449","10.1107/S0108270100011616","","","0.71073","MoKα","","0.0447","0.0409","","","","0.1148","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011664","24.7585","0.0004","11.446","0.0002","16.5815","0.0001","90","","112.689","0.001","90","","4335.32","0.11","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Structure of hexakis(imidazole)nickel(II) bis(O,O'-disopropyl dithiophosphate)","","- C30 H52 N12 Ni O4 P2 S4 -","- C30 H52 N12 Ni O4 P2 S4 -","- C120 H208 N48 Ni4 O16 P8 S16 -","4","0.5","SK1416","Hao, Qingli; Jian, Fangfang; Yang, Xujie; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) bis[<i>O</i>,<i>O</i>'-diisopropyl dithiophosphate(1‒)]","Acta Crystallographica Section C","2000","56","12","1431","1432","10.1107/S0108270100012841","","","0.71073","MoKα","","0.121","0.072","","","","0.227","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011665","23.6968","0.0015","7.651","0.0005","15.1664","0.001","90","","92.36","0.001","90","","2747.4","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(2-Nitrophenylthio)saccharin","","- C13 H8 N2 O5 S2 -","- C13 H8 N2 O5 S2 -","- C104 H64 N16 O40 S16 -","8","1","SK1418","Glidewell, Christopher; Low, John N.; Wardell, James L.","Hydrogen-bonded dimers in <i>N</i>-(2-nitrophenylthio)saccharin","Acta Crystallographica Section C","2000","56","12","1462","1464","10.1107/S0108270100012415","","","0.71073","MoKα","","0.053","0.033","","","","0.081","","","","","","0.921","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011666","8.2214","0.0004","11.4293","0.0005","14.3861","0.0006","90","","90","","90","","1351.79","0.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Nitrophenyl-β-D-thiogalactopyranoside","","- C12 H15 N O7 S -","- C12 H15 N O7 S -","- C48 H60 N4 O28 S4 -","4","1","SK1419","Glidewell, Christopher; Low, John N.; Wardell, James L.","Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: 2-nitrophenyl-β-<small>D</small>-thiogalactopyranoside","Acta Crystallographica Section C","2000","56","12","1465","1467","10.1107/S0108270100012427","","","0.71073","MoKα","","0.03","0.027","","","","0.074","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011667","4.3048","0.001","18.108","0.003","13.3152","0.0017","90","","95.847","0.013","90","","1032.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-dibromo-3-methoxy-6-nitrobenzaldehyde","","- C8 H5 Br2 N O4 -","- C8 H5 Br2 N O4 -","- C32 H20 Br8 N4 O16 -","4","1","SK1420","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Serra, A.C.","2,4-Dibromo-3-methoxy-6-nitrobenzaldeyde: effect of substituents on ring geometry","Acta Crystallographica Section C","2000","56","12","1501","1502","10.1107/S0108270100012853","","","0.71073","MoKα","","0.113","0.035","","","","0.099","","","","","","0.981","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011668","5.0186","0.0005","9.6408","0.0009","14.5082","0.0014","90","","98.21","0.01","90","","694.76","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-NI","7-Nitro-1H-indazole","","- C7 H5 N3 O2 -","- C7 H5 N3 O2 -","- C28 H20 N12 O8 -","4","1","SX1105","Sopková-de Oliveira Santos, Jana; Collot, Valerie; Rault, Sylvain","7-Nitro-1<i>H</i>-indazole, an inhibitor of nitric oxide synthase","Acta Crystallographica Section C","2000","56","12","1503","1504","10.1107/S0108270100012956","","","0.71073","MoKα","","0.058","0.046","","","","0.135","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011669","19.3044","0.0004","10.6009","0.0003","11.6549","0.0003","90","","125.527","0.002","90","","1941.1","0.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","trans-4-[4-(Dimethylamino)phenyliminomethyl]-N-phenylpyridinium hexafluorophosphate","","- C20 H20 F6 N3 P -","- C20 H20 F6 N3 P -","- C80 H80 F24 N12 P4 -","4","1","SX1113","Coe, Benjamin J.; Harris, James A.; Gelbrich, Thomas; Hursthouse, Michael B.","<i>trans</i>-4-[4-(Dimethylamino)phenyliminomethyl]-<i>N</i>-phenylpyridinium hexafluorophosphate","Acta Crystallographica Section C","2000","56","12","1487","1489","10.1107/S0108270100012543","","","0.71073","MoKα","","0.042","0.036","","","","0.092","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011670","10.191","0.007","10.963","0.01","12.621","0.0011","102.23","0.06","114.58","0.03","100.64","0.06","1192.7","1.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","13,13a-Dihydro-9-methyl-13-methoxy-1-benzopyrano[4,3-i]- dinaphtho[2,1-c;1',2'-f]-2,8-dioxabicyclo[3,3,1]nonane","","- C32 H24 O4 -","- C32 H24 O4 -","- C64 H48 O8 -","2","1","VJ1108","Sahana, Sirin; Bandyopadhyay, Chandrakanta; Chaudhuri, Siddhartha","13,13a-Dihydro-13-methoxy-9-methyl-1-benzopyrano[4,3-<i>i</i>]dinaphtho[2,1-<i>c</i>;1',2'-<i>f</i>]-2,8-dioxabicyclo[3.3.1]nonane","Acta Crystallographica Section C","2000","56","12","1450","1451","10.1107/S010827010001180X","","","1.5418","CuKα","","0.0614","0.0504","","","","0.1514","","","","","","1.039","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011671","19.2711","0.001","9.769","0.003","10.2592","0.001","90","0.01","103.666","0.013","90","0.01","1876.7","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Ethyl 2-[N-(tert-butyloxycarbonyl)-L-alanylamino]-4-methyl-1,3-thiazole-5 -carboxylate","","- C15 H23 N3 O5 S -","- C15 H23 N3 O5 S -","- C60 H92 N12 O20 S4 -","4","1","VJ1112","Singh, Umesh Prasad; Thomas, Mini; Seshadri, T.P.; Bhattacharya, Santanu","Ethyl 2-[<i>N</i>-(<i>tert</i>-butyloxycarbonyl)-<small>L</small>-alanylamino]-4-methyl-1,3-thiazole-5-carboxylate reveals a <i>trans</i> orientation of the preceding amide N—H with respect to the thiazole-ring sulfur","Acta Crystallographica Section C","2000","56","12","1482","1483","10.1107/S0108270100012439","","","1.5418","CuKα","","0.0405","0.0379","","","","0.1088","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011672","7.609","0.003","9.63","0.002","12.858","0.002","110.14","0.01","94.8","0.02","96.83","0.02","870.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","3-Chlorophenyl-N-phenylnitrone","N-(benzylidene)(3-chlorophenyl)N-oxide","","- C20 H16 Cl N O3 -","- C20 H16 Cl N O3 -","- C40 H32 Cl2 N2 O6 -","2","1","VJ1113","Chandrasekar, S.; Panchanatheswaran, K.","<i>N</i>-(3-Chlorophenyl)-α-phenylnitrone: association with benzoic acid through hydrogen bonding","Acta Crystallographica Section C","2000","56","12","1442","1443","10.1107/S0108270100011379","","","1.5418","CuKα","","0.0638","0.0512","","0.1457","0.1352","","","","1.052","1.103","1.103","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2019349","9.7313","0.0008","9.2898","0.0011","8.115","0.001","90","","104.252","0.008","90","","711.03","0.14","180","2","180","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","t-butylperthiophosphonic anhydride","","- C8 H18 P2 S4 -","- C8 H18 P2 S4 -","- C16 H36 P4 S8 -","2","0.25","","Ziemer, Burkhard; Steinberger, Hans-Uwe","A monoclinic polymorph of bis(tert-butylperthiophosphonic) dianhydride","Acta Crystallographica Section C Crystal Structure Communications","2000","56","3","e95","","10.1107/S0108270100002390","","","0.71073","MoKα","","0.025","0.025","","","","0.064","","","","","","1.145","","","","has coordinates","176760","2020-10-21","18:00:00",""