# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-21T14:09:45+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica C (39,1983-)') AND volume = 53 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
"1000441","7.848","0.002","19.86699","0.004","10.773","0.003","90","","90","","90","","1679.7","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Distrontium pentfluoroferrate(III) aquapentafluoroferrate(III)","","- F10 Fe2 H2 O Sr2 -","- F10 Fe2 H2 O Sr2 -","- F80 Fe16 H16 O8 Sr16 -","8","","","Le Meins, J-M; Hemon-Ribaud, A; Courbion, G","Sr2 Fe2 F10 . (H2 O), the first hydrated strontium iron(III) fluoride","Acta Crystallographica C (39,1983-)","1997","53","","1165","1166","","","","","","","0.0772","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008807","12.555","0.002","6.258","0.002","10.554","0.002","90","","90","","90","","829.2","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Sodium potassium oxotitanium phosphate(V) (0.99/0.01/1/1)","","- K0.008 Na0.992 O5 P Ti -","- K0.008 Na0.992 O5 P Ti -","- K0.064 Na7.936 O40 P8 Ti8 -","8","2","","Dahaoui, S; Hansen, N K; Menaert, B","Na Ti O P O4 and K Ti O P O4 at 110 K","Acta Crystallographica C (39,1983-)","1997","53","","1173","1176","","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005838","14.852","0.001","9.91","0.001","13.036","0.002","90","","113.749","0.008","90","","1756.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 N4 O2.5 -","- C7 H9 N4 O2.5 -","- C56 H72 N32 O20 -","8","1","AB1405","Gallardo, H.; Begnini, I. M.; Vencato, I.","5-(4-Hydroxyphenyl)tetrazole‒Water (2/3)","Acta Crystallographica Section C","1997","53","1","143","144","10.1107/S0108270196012474","","","0.71073","MoKα","","0.0453","0.0335","","0.1055","0.0916","","","","1.067","1.031","1.031","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005839","5.644","0.002","13.624","0.002","22.617","0.001","90","","95.31","0.01","90","","1731.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Oxo-6-phenyl-6-phospha-3,9-dithiabicyclo[9,4,0]pentadeca-1(11),12,14-triene","","- C18 H21 O P S2 -","- C18 H21 O P S2 -","- C72 H84 O4 P4 S8 -","4","1","AB1413","Kivekäs, R.; Muñoz, J. A.; Escriche, L.; Casabó, J.; Sillanpää, R.","6-Oxo-6-phenyl-6-phospha-3,9-dithiabicyclo[9.4.0]pentadeca-1(11),12,14-triene","Acta Crystallographica Section C","1997","53","1","126","128","10.1107/S0108270196012140","","","0.71069","MoKα","","0.0992","0.0425","","0.162","0.0872","","","","1.041","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005840","5.223","0.0007","38.371","0.005","9.417","0.001","90","","96.98","0.01","90","","1873.3","0.4","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","40<[OS(2,5)1,3,4-thiadiazolo,S]~4~-coronand-16>","10,11,21,22,32,33,43,44-octaaza-5,16,27,38-tetraoxa-2,8,13,19,24,30,35,41,45,46,47,48-dodecathiapentacyclo[40.2.1.1^9,12^.1^20,23^.1^31,34^]octatetracontane","","- C24 H32 N8 O4 S12 -","- C24 H32 N8 O4 S12 -","- C48 H64 N16 O8 S24 -","2","0.5","BK1223","Rugutt, J. K.; Fronczek, F. R.; Watkins, S. F.; Pappalardo, S.","A Tetrameric Macrocycle with 2,5-Dithio-1,3,4-thiadiazole Subunits","Acta Crystallographica Section C","1997","53","1","81","84","10.1107/S010827019601236X","","","1.54184","CuKα","","","0.047","","","0.062","","","","","1.731","1.731","","","","","has coordinates","211401","2020-10-21","18:00:00",""
"2005841","18.8917","0.0008","4.6858","0.0003","12.7916","0.0008","90","","127.95","0.01","90","","892.91","0.15","298","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Br2 -","- C8 H10 Br2 -","- C32 H40 Br8 -","4","0.5","BK1224","Dávila, A.; McLaughlin, M. L.; Fronczek, F. R.; Watkins, S. F.","1,5-Dibromocycloocta-1,5-diene","Acta Crystallographica Section C","1997","53","1","84","86","10.1107/S0108270196012322","","","0.71073","MoKα","","","0.069","","","0.038","","","","","1.128","1.128","","","","","has coordinates","198476","2020-10-21","18:00:00",""
"2005842","9.3811","0.0011","13.2775","0.0012","10.487","0.001","90","","98.177","0.009","90","","1293","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tricarbonyl(2-methoxycyclohexadienyl)-iron(II)-tatrafluoroborate","","- C10 H9 B F4 Fe O4 -","- C10 H9 B F4 Fe O4 -","- C40 H36 B4 F16 Fe4 O16 -","4","1","BK1242","DeBord, J. R. D.; George, T. A.; Ross, II, C. R.; Stezowski, J. J.","Tetrafluoroborate Salt of Tricarbonyl(2-methoxy-η^5^-cyclohexadienyl)iron(II)","Acta Crystallographica Section C","1997","53","1","45","47","10.1107/S0108270196011584","","","0.71073","MoKα","","0.1174","0.067","","0.15","0.1174","","","","1.08","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005843","3.897","0.003","9.355","0.002","28.98","0.003","90","","90.79","0.04","90","","1056.4","0.9","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","anthracene-9-carboxylic acid","anthracene-9-carboxylic acid","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","BK1282","Fitzgerald, L. J.; Gerkin, R. E.","Anthracene-9-carboxylic Acid","Acta Crystallographica Section C","1997","53","1","71","73","10.1107/S0108270196011213","","","0.71073","MoKα","","","0.044","","","0.049","","","","","1.6","1.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005844","7.956","0.002","8.193","0.002","9.313","0.002","89.89","0.01","94.79","0.01","90.95","0.01","604.9","0.2","294","","294","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H13 N3 -","- C14 H13 N3 -","- C28 H26 N6 -","2","1","BM1071","Mefetah, H.; Giorgi, M.; Brouant, P.","2-Anilino-4,6-dimethylpyridine-3-carbonitrile, an Intermediate in the Synthesis of 5-Aminobenzo[<i>b</i>][1,8]naphthyridines","Acta Crystallographica Section C","1997","53","1","101","102","10.1107/S0108270196005276","","","0.71073","MoKα","","0.239","0.047","","","0.054","","","","","1.613","1.613","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2005845","21.454","0.004","9.107","0.002","17.364","0.003","90","","93.57","0.03","90","","3386","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetramethylammonium sodium nitroprusside 2.5-hydrate","tetramethylammonium sodium nitrosylpentacyanoferrate (II) 2.5-hydrate","","- C9 H17 Fe N7 Na O3.5 -","- C9 H17 Fe N7 Na O3.5 -","- C72 H136 Fe8 N56 Na8 O28 -","8","1","BM1089","Longridge, J. J.; Rawson, J. M.; Davies, J. E.","A Mixed Cation Ternary Nitroprusside: [(CH~3~)~4~N][Na][Fe(CN)~5~(NO)].2.5H~2~O","Acta Crystallographica Section C","1997","53","1","15","17","10.1107/S0108270196011468","","","0.71073","MoKα","","0.066","0.0477","","0.1259","0.1155","","","","1.086","1.14","1.14","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2005846","16.088","0.002","16.088","0.002","5.197","0.001","90","","90","","120","","1164.9","0.3","120","1","120","1","","","","","","","","3","R -3 :H","-R 3","148","","hexakis[mercaptomethyl]benzene","","- C12 H18 S6 -","- C12 H18 S6 -","- C36 H54 S18 -","3","0.166667","BM1105","Mallinson, P. R.; MacNicol, D. D.; McCormack, K. L.; Yufit, D. S.; Gall, J. H.; Henderson, R. K.","Hexakis(mercaptomethyl)benzene: a Structure Possessing Well Ordered Homodromic [SH···S]~6~ Interactions","Acta Crystallographica Section C","1997","53","1","90","92","10.1107/S0108270196010499","","","0.71073","MoKα","","0.1663","0.0554","","0.123","0.104","","","","0.847","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005847","13.62","0.005","12.088","0.005","4.115","0.002","90","","90","","90","","677.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis(2-nitrophenyl)trisulphide","","- C12 H8 N2 O4 S3 -","- C12 H8 N2 O4 S3 -","- C24 H16 N4 O8 S6 -","2","0.5","BM1114","Cox, P. J.; Wardell, J. L.","A Polymorph of Bis(2-nitrophenyl) Trisulfide","Acta Crystallographica Section C","1997","53","1","122","124","10.1107/S0108270196012838","","","0.71069","MoKα","","0.0496","0.0478","","0.1105","0.1098","","","","1.089","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005848","21.393","0.004","11.586","0.002","22.635","0.005","90","","90.09","0.03","90","","5610.3","1.9","150","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H72 Cr2 N4 Na2 O22 -","- C46 H72 Cr2 N4 Na2 O22 -","- C184 H288 Cr8 N16 Na8 O88 -","4","0.5","BR1160","Borrmann, H.; Pirani, A. M.; Schrobilgen, G. J.","[2,2,2-Crypt-Na]~2~[Cr~2~(CO)~10~]: a Chromium(‒1) Carbonyl Structure with a Very Weakly Coordinating Cation","Acta Crystallographica Section C","1997","53","1","19","22","10.1107/S0108270196011390","","","0.71073","MoKα","","0.0486","","","0.0977","0.0879","","","","1.048","1.085","1.085","","","","","has coordinates","198515","2020-10-21","18:00:00",""
"2005849","16.505","0.004","11.657","0.003","21.918","0.006","90","","99.79","0.02","90","","4155.6","1.9","178","2","178","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{trans-(2,2,4,4-tetrafluoro-1,3-di-t-butyl-1,3-diphosphetane)}- pentacarbonyltungsten(0)","","- C15 H18 F4 O5 P2 W -","- C15 H18 F4 O5 P2 W -","- C120 H144 F32 O40 P16 W8 -","8","2","BS1001","Jones, P. G.; Thöne, C.","Metal Complexes of <i>trans</i>-2,2,4,4-Tetrafluoro-1,3-di-<i>tert</i>-butyl-1,3-diphosphetane","Acta Crystallographica Section C","1997","53","1","42","45","10.1107/S0108270196011870","","","0.71073","MoKα","","0.056","0.0306","","0.0786","0.0677","","","","0.993","1.037","1.037","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005850","19.99","0.006","7.096","0.003","8.606","0.003","90","","92.48","0.03","90","","1219.6","0.8","178","2","178","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","{trans-(2,2,4,4-tetrafluoro-1,3-di-t-butyl-1,3-diphosphetane)}- bis(chlorogold(I)) bis-dichloromethane solvate","","- C12 H22 Au2 Cl6 F4 P2 -","- C12 H22 Au2 Cl6 F4 P2 -","- C24 H44 Au4 Cl12 F8 P4 -","2","0.25","BS1001","Jones, P. G.; Thöne, C.","Metal Complexes of <i>trans</i>-2,2,4,4-Tetrafluoro-1,3-di-<i>tert</i>-butyl-1,3-diphosphetane","Acta Crystallographica Section C","1997","53","1","42","45","10.1107/S0108270196011870","","","0.71073","MoKα","","0.04","0.0268","","0.0618","0.0567","","","","1.045","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005851","11.368","0.002","13.49","0.003","13.573","0.003","61.62","0.03","84.55","0.03","87.83","0.03","1823","0.8","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Bis (bistriphenylphosphineimine) hexamolybdate","","- C72 H60 Mo6 N2 O19 P4 -","- C72 H60 Mo6 N2 O19 P4 -","- C72 H60 Mo6 N2 O19 P4 -","1","0.5","BS1007","Hoppe, S.; Stark, J. L.; Whitmire, K. H.","Bis[bis(triphenylphosphine)iminium] Hexamolybdate","Acta Crystallographica Section C","1997","53","1","68","70","10.1107/S0108270196011791","","","0.71073","MoKα","","0.0713","0.0471","","0.1228","0.1086","","","","1.046","1.078","1.078","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005852","9.217","0.003","24.675","0.005","15.698","0.004","90","","102.89","0.02","90","","3480.2","1.6","300","","300","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","di-μ-thio-bis[chloro(oxo)bis(pyridine)molybdenum](Mo-Mo)","","- C30 H30 Cl2 Mo2 N6 O2 S2 -","- C30 Cl2 Mo2 N6 O2 S2 -","- C120 Cl8 Mo8 N24 O8 S8 -","4","1","CF1119","Mizutani, J.; Imoto, H.; Saito, T.","A Dinuclear Molybdenum Complex: [{MoClO(pyridine)~2~}~2~(μ-S)~2~].2C~5~H~5~N","Acta Crystallographica Section C","1997","53","1","47","50","10.1107/S0108270196010116","","","0.7107","MoKα","","","0.0633","","","0.0384","","","","","2.65","2.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005853","10.241","0.004","8.649","0.003","13.848","0.005","90","","109.93","0.03","90","","1153.2","0.7","293","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As4 In2 Na2 O14 -","- As4 In2 Na2 O14 -","- As16 In8 Na8 O56 -","4","0.5","","","NaInAs~2~O~7~","Acta Crystallographica C","1997","53","","05","07","","","","","","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005854","8.789","0.004","17.3","0.007","8.595","0.003","90","","90","","90","","1306.9","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","aluminum potassium phospho-arsenate","","- Al2 As1.92 K3 O12 P1.08 -","- Al2 As1.925 K3 O12 P1.075 -","- Al8 As7.7 K12 O48 P4.3 -","4","1","DU1164","Boughzala, H.; Driss, A.; Jouini, T.","K~3~Al~2~As~1,92~P~1,08~O~12~","Acta Crystallographica Section C","1997","53","1","3","5","10.1107/S0108270196009894","","","0.71069","MoKα","","0.0923","0.0493","","0.0609","0.0537","","","","1.318","1.462","1.462","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005855","33.775","0.006","9.5143","0.0011","14.987","0.003","90","","105.433","0.014","90","","4642.4","1.4","294","","294","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di(hydridotetracarbonylosmium)diphenylgermane","","- C20 H12 Ge O8 Os2 -","- C20 H12 Ge O8 Os2 -","- C160 H96 Ge8 O64 Os16 -","8","1","FG1150","Leong, W. K.; Einstein, F. W. B.; Pomeroy, R. K.","Bisphenylbis[tetracarbonyl(hydrido)osmio]germane, Ph~2~Ge[Os(CO)~4~H]~2~","Acta Crystallographica Section C","1997","53","1","22","24","10.1107/S0108270196012061","","","0.7093","MoKα","","","0.045","","","0.055","","","","","3","3","","","","","has coordinates","192299","2020-10-21","18:00:00",""
"2005856","9.5247","0.0008","16.7749","0.0018","12.9718","0.0019","90","","97.574","0.009","90","","2054.5","0.4","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(mu-chloro)tri(mu-hydrido)dodecacarbonyltetraosmium","","- C12 H3 Cl O12 Os4 -","- C12 H3 Cl O12 Os4 -","- C48 H12 Cl4 O48 Os16 -","4","1","FG1152","Leong, W. K.; Einstein, F. W. B.; Pomeroy, R. K.","Two Chloro-Bridged Osmium Clusters","Acta Crystallographica Section C","1997","53","1","24","27","10.1107/S0108270196012073","","","0.7093","MolybdenumKα","","0.038","0.038","","0.041","0.041","","","","","3.2","3.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005857","8.8621","0.0015","9.3825","0.0015","15.9148","0.0023","80.815","0.013","85.332","0.013","62.828","0.013","1162.1","0.3","294","","294","","","","","","","","","5","P -1","-P 1","2","","(mu-chloro)tri(mu-hydrido)tetradecacarbonylpentaosmium","","- C14 H3 Cl O14 Os5 -","- C14 H3 Cl O14 Os5 -","- C28 H6 Cl2 O28 Os10 -","2","1","FG1152","Leong, W. K.; Einstein, F. W. B.; Pomeroy, R. K.","Two Chloro-Bridged Osmium Clusters","Acta Crystallographica Section C","1997","53","1","24","27","10.1107/S0108270196012073","","","0.7093","MolybdenumKα","","0.054","0.054","","0.063","0.063","","","","","3.2","3.2","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005858","9.493","0.001","11.426","0.001","14.932","0.002","90","","102.77","0.01","90","","1579.6","0.3","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","5-Deoxy-1,2-O-isopropylidene-5-C-(5-carboethoxy-1,2,3-triazol-1-yl)- α-D-xylofuranose","","- C13 H19 N3 O6 -","- C13 H19 N3 O6 -","- C52 H76 N12 O24 -","4","2","FG1203","Horton, D.; Levine, B. R.; Norris, P.; Luck, R. L.; Silverton, J. V.","5-Deoxy-5-<i>C</i>-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-xylofuranose","Acta Crystallographica Section C","1997","53","1","120","122","10.1107/S0108270196012097","","","1.54184","copperKα","","","0.052","","","0.06","","","","","2.19","2.19","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005859","4.898","0.001","12.925","0.002","13.875","0.001","90","","90","","90","","878.4","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acetyl-L-glutamic acid","","","- C7 H11 N O5 -","- C7 H11 N O5 -","- C28 H44 N4 O20 -","4","1","FG1211","Dobson, A. J.; Gerkin, R. E.","<i>N</i>-Acetyl-<small>L</small>-glutamic Acid","Acta Crystallographica Section C","1997","53","1","73","76","10.1107/S0108270196011882","","","0.71073","MoKα","","","0.031","","","0.039","","","","","1.66","1.66","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005860","5.8824","0.0007","12.451","0.002","6.7557","0.0008","90","","110.186","0.006","90","","464.41","0.11","296","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-cis Pinononic acid","(-)-cis-3-acetyl-2,2-dimethylcyclobutanecarboxylic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C18 H28 O6 -","2","1","FG1213","Coté, M. L.; Thompson, H. W.; Lalancette, R. A.","({-})-<i>cis</i>-Pinononic Acid: Hydrogen-Bonding Pattern of a δ-Keto Acid","Acta Crystallographica Section C","1997","53","1","102","106","10.1107/S0108270196012103","","","0.71073","MoKα","","0.0766","0.0425","","0.1016","0.0922","","","","0.836","1.033","1.033","","","","","has coordinates,has disorder","200179","2020-10-21","18:00:00",""
"2005861","7.6532","0.0015","7.769","0.002","12.177","0.002","90","","98.228","0.014","90","","716.6","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,4-trimethyl-1,2,4-triazolidine-3,5-dione","","- C5 H9 N3 O2 -","- C5 H9 N3 O2 -","- C20 H36 N12 O8 -","4","1","FG1225","Meyers, C. Y.; Lutfi, H. G.; Hou, Y.; Robinson, P. D.","Racemic 1,2,4-Trimethylurazole","Acta Crystallographica Section C","1997","53","1","98","100","10.1107/S0108270196011894","","","0.71069","MoKα","","","0.059","","","0.041","","","","","3.8","3.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005862","8.48","0.002","7.436","0.002","20.783","0.002","90","","93.5","0.02","90","","1308.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methylperimidinium acetate monohydrate","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","FG1235","Patnaik, S.; Vishnumurthy, K.; Sridhar, M.; Chandrasekhar, S.; Usha, K.; Guru Row, T. N.","2-Methylperimidinium Acetate Monohydrate","Acta Crystallographica Section C","1997","53","1","130","132","10.1107/S0108270196012589","","","1.5418","CuK~α~","","0.0753","0.0531","","0.1656","0.1289","","","","1.093","1.026","1.026","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005863","5.592","0.0001","21.3403","0.0005","9.7192","0.0002","90","","96.197","0.001","90","","1153.06","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O12 -","- C20 H23 N O12 -","- C40 H46 N2 O24 -","2","1","FR1003","Abboud, K. A.; Toporek, S. S.; Horenstein, B. A.","<i>p</i>-Nitrophenyl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1997","53","1","118","120","10.1107/S0108270196012784","","","0.71073","MoKα","","0.0383","0.0344","","0.0909","0.0846","","","","1.124","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005864","7.046","0.004","6.287","0.004","24.486","0.005","90","","90.04","0.04","90","","1084.7","1","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Co N2 O12 S2 -","- C14 H28 Co N2 O12 S2 -","- C28 H56 Co2 N4 O24 S4 -","2","0.5","FR1012","Gunderman, B. J.; Dubey, S. N.; Squattrito, P. J.","Hexaaquacobalt(II) Bis(2-aminotoluene-4-sulfonate)","Acta Crystallographica Section C","1997","53","1","17","19","10.1107/S0108270196011419","","","0.7107","MoKα","","0.065","0.032","","0.049","0.03","","","","","1.76","1.76","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005865","11.503","0.002","18.218","0.005","9.305","0.002","90","","110.359","0.005","90","","1828.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N,N'-Bis(1-pyrenylmethyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane","","- C46 H46 N2 O4 -","- C46 H46 N2 O4 -","- C92 H92 N4 O8 -","2","0.5","HA1169","Kubo, K.; Kato, N.; Sakurai, T.","<i>N</i>,<i>N</i>'-Bis(1-pyrenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane","Acta Crystallographica Section C","1997","53","1","132","134","10.1107/S0108270196011808","","","1.54184","CuKα","","0.07","0.0474","","0.1506","0.1325","","","","1.03","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005866","18.0187","0.002","13.546","0.004","18.092","0.003","90","","115.389","0.012","90","","3989.4","1.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,5-Bis[4,4-dimethyl-1-(4-methylphenyl)-5-(1-piperidinio)-1-penten-3-ylidene]- carbonohydrazide Dichloride Methanol Solvate","","- C40 H62 Cl2 N6 O2 -","- C40 H62 Cl2 N6 O2 -","- C160 H248 Cl8 N24 O8 -","4","1","HA1170","Yang, J.; Kumar, P.; Dimmock, J. R.; Quail, J. W.","1,5-Bis[4,4-dimethyl-1-(4-methylphenyl)-5-(1-piperidinio)-1-penten-3-ylidene]carbonohydrazide Dichloride Methanol Solvate","Acta Crystallographica Section C","1997","53","1","140","143","10.1107/S0108270196012607","","","0.71073","MolybdenumKα","","0.123","0.056","","0.059","0.055","","","","","1.57","1.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005867","8.23","0.001","18.205","0.002","16.384","0.002","90","","99","0.01","90","","2424.5","0.5","288","2","288","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-dihydronaphtho[3,4-b]cyclopenteno[1,2-e]-4H-pyran-4-one","","- C16 H14 O2 -","- C16 H14 O2 -","- C128 H112 O16 -","8","2","HA1171","Cao, Z.; Cao, X.; Zhang, D.-C.; Xu, F.; Yu, K.","1,2-Dihydronaphtho[3,4-<i>b</i>]cyclopenteno[1,2-<i>e</i>]-4<i>H</i>-pyran-4-one","Acta Crystallographica Section C","1997","53","1","144","146","10.1107/S010827019601270X","","","0.71073","MoKα","","0.0771","0.0377","","0.1093","0.0818","","","","0.85","1.034","1.034","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005868","6.3561","0.0014","9.892","0.002","14.937","0.003","90","","95.04","0.02","90","","935.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5S-3-Phenyl-5-(6'R,7R,14'R-1',8',13',16'-tetraoxadispiro[5.0.5.4] hexadecan-14'-yl)-4,5-dihydrooxisoxazole","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C42 H54 N2 O10 -","2","1","HA1176","Blake, A. J.; Gould, R. O.; Paton, R. M.; Todd, C. J.","(5<i>S</i>)-3-Phenyl-5-[(6<i>R</i>,7<i>R</i>,14<i>R</i>)-1,8,13,16-tetraoxadispiro[5.0.5.4]hexadecan-14-yl]-4,5-dihydroisoxazole: the Major Adduct Resulting from Cycloaddition of Benzonitrile Oxide to (6<i>R</i>,7<i>R</i>,14<i>S</i>)-14-Vinyl-1,8,13,16-tetraoxadispiro[5.0.5.4]hexadecane","Acta Crystallographica Section C","1997","53","1","116","117","10.1107/S0108270196012243","","","0.71073","MoKα","","0.0305","0.0276","","0.0766","0.0714","","","","1.095","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005869","13.366","0.001","7.3869","0.0007","29.892","0.003","90","","90","","90","","2951.3","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-bromophenyl)-2-fluoroethanone (2,4-dinitrophenyl)hydrazone","","- C14 H10 Br F N4 O4 -","- C14 H10 Br F N4 O4 -","- C112 H80 Br8 F8 N32 O32 -","8","1","HA1178","Borwick, S. J.; Howard, J. A. K.; Lehmann, C. W.; O'Hagan, D.","1-(4-Bromophenyl)-2-fluoroethanone (2,4-Dinitrophenyl)hydrazone Containing a Particularly Short Fluorine‒Hydrogen Bond","Acta Crystallographica Section C","1997","53","1","124","126","10.1107/S0108270196013133","","","0.71073","MoKα","","0.0496","0.0373","","0.0857","0.0771","","","","1.211","1.215","1.215","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005870","4.8781","0.001","10.475","0.001","30.2952","0.001","90","","90","","90","","1548","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Pyrazole-κN^2^)[N-salicylidene-κO-(S)-alaninato-κN,κO]copper(II) Dihydrate","","- C13 H17 Cu N3 O5 -","- C13 H17 Cu N3 O5 -","- C52 H68 Cu4 N12 O20 -","4","1","JZ1116","Warda, S. A.; Friebel, C.; Sivý, J.; Plesch, G.; Bláhová, M.","(Pyrazole-κ<i>N</i>^2^)[<i>N</i>-salicylidene-κ<i>O</i>-(<i>S</i>)-alaninato-κ^2^<i>N</i>,<i>O</i>]copper(II) Dihydrate and (Pyrazole-κ<i>N</i>^2^)[<i>N</i>-salicylidene-κ<i>O</i>-(<i>R</i>,<i>S</i>)-alaninato-κ^2^<i>N</i>,<i>O</i>]copper(II) Pyrazole Solvate","Acta Crystallographica Section C","1997","53","1","50","54","10.1107/S0108270196010992","","","1.54178","CuKα","","0.0436","0.0423","","0.1166","0.1152","","","","1.037","1.041","1.041","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005871","10.3223","0.0005","8.3892","0.0003","19.9025","0.0009","90","","97.533","0.004","90","","1708.6","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Pyrazole-κN^2^)[N-salicylidene-κO-(R,S)-alaninato-κN,κO]copper(II) Pyrazole Solvate","","- C16 H17 Cu N5 O3 -","- C16 H17 Cu N5 O3 -","- C64 H68 Cu4 N20 O12 -","4","1","JZ1116","Warda, S. A.; Friebel, C.; Sivý, J.; Plesch, G.; Bláhová, M.","(Pyrazole-κ<i>N</i>^2^)[<i>N</i>-salicylidene-κ<i>O</i>-(<i>S</i>)-alaninato-κ^2^<i>N</i>,<i>O</i>]copper(II) Dihydrate and (Pyrazole-κ<i>N</i>^2^)[<i>N</i>-salicylidene-κ<i>O</i>-(<i>R</i>,<i>S</i>)-alaninato-κ^2^<i>N</i>,<i>O</i>]copper(II) Pyrazole Solvate","Acta Crystallographica Section C","1997","53","1","50","54","10.1107/S0108270196010992","","","1.54178","CuKα","","0.0686","0.0681","","0.1833","0.1826","","","","1.145","1.152","1.152","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005872","21.374","0.006","13.072","0.008","23.771","0.012","90","","105.11","0.03","90","","6412","5","208","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Di-[bis-(triphenylphosphoranylidene)-ammonium Fluoropentachloroosmate(IV) Hydrate","","- C72 H62 Cl5 F N2 O Os P4 -","- C72 H62 Cl5 F N2 O Os P4 -","- C288 H248 Cl20 F4 N8 O4 Os4 P16 -","4","1","JZ1142","Bruhn, C.; Preetz, W.","Bis[bis(triphenylphosphoranylidene)ammonium] Pentachlorofluoroosmate(IV) Hydrate, [(C~6~H~5~)~3~P= N= P(C~6~H~5~)~3~]~2~[OsFCl~5~].H~2~O","Acta Crystallographica Section C","1997","53","1","63","66","10.1107/S010827019601061X","","","0.71069","MoKα","","0.1222","0.0479","","0.106","0.076","","","","1.162","1.108","1.108","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005873","9.141","0.002","9.16","0.002","10.736","0.004","90.28","0.02","90.52","0.02","90.11","0.02","898.9","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- K2 Mg O10 P2 W -","- K2 Mg O10 P2 W -","- K8 Mg4 O40 P8 W4 -","4","4","JZ1148","Peuchert, U.; Bohatý, L.; Schreuer, J.","The Triclinic Room-Temperature Modification of K~2~MgWO~2~(PO~4~)~2~","Acta Crystallographica Section C","1997","53","1","11","14","10.1107/S0108270196011389","","","0.71073","MoKα","","0.0227","0.0213","","0.0514","0.0507","","","","1.067","1.071","1.071","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005874","5.377","0.001","10.488","0.001","20.32","0.002","77.41","0.01","86.14","0.01","80.28","0.01","1101.8","0.3","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H7 N3 O2 S -","- C12 H7 N3 O2 S -","- C48 H28 N12 O8 S4 -","4","2","KA1205","Özbey, S.; Temel, A.; Özgün, B. H.; Ertan, N.","2-(2-Thiazolylhydrazono)indan-1,3-dione","Acta Crystallographica Section C","1997","53","1","113","116","10.1107/S0108270196011742","","","0.71073","MoKα","","","0.038","","","0.041","","","","","0.93","0.93","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005875","30.136","0.009","6.902","0.002","16.92","0.006","90","","120.23","0.02","90","","3040.7","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis(salicyaldoximato)zinc","","- C14 H14 N2 O5 Zn -","- C14 H14 N2 O5 Zn -","- C112 H112 N16 O40 Zn8 -","8","1","KA1207","Potočňák, I.; Heinemann, F. W.; Rausch, M.; Steinborn, D.","Aquabis(salicylaldoximato)zinc","Acta Crystallographica Section C","1997","53","1","54","56","10.1107/S0108270196011353","","","0.71073","MoKα","","0.072","0.0526","","0.1746","0.1342","","","","1.171","1.204","1.204","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2005876","14.978","0.003","16.703","0.003","18.847","0.003","90","","90","","90","","4715.1","1.5","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","1,2-bis(2,6-diethylphenyl)-3,3-(oxydiethyl)guanidine","","- C25 H35 N3 O -","- C25 H35 N3 O -","- C200 H280 N24 O8 -","8","","KA1214","Sudha, L.; Subramanian, K.; Senthil Selvan, J.; Steiner, Th.; Koellner, G.; Ramdas, K.; Srinivasan, N.","1,2-Bis(2,6-diethylphenyl)-3,3-(oxydiethyl)guanidine","Acta Crystallographica Section C","1997","53","1","88","90","10.1107/S0108270196011080","","","1.54176","CuKα","","0.0573","0.045","","0.1331","0.1268","","","","1.056","1.123","1.123","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005877","14.996","0.002","9.8324","0.0012","13.461","0.002","90","","116.609","0.006","90","","1774.6","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,6,8-Trimethylazulene-Picric Acid","","","- C19 H17 N3 O7 -","- C19 H17 N3 O7 -","- C76 H68 N12 O28 -","4","1","KA1217","Näther, C.; Arad, C.; Bock, H.","The Donor‒Acceptor Complex between 4,6,8-Trimethylazulene and Picric Acid","Acta Crystallographica Section C","1997","53","1","76","79","10.1107/S0108270196011766","","","0.71073","MoKα","","0.0627","0.0459","","0.1334","0.1203","","","","1.025","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005878","5.3243","0.0007","6.9487","0.0011","12.1489","0.0014","83.429","0.011","87.055","0.009","71.914","0.009","424.4","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N'-bis(4-metylbenzoyl)-p-phenylenediamine","N,N'-bis(4-methylbenzoyl)-1,4-benzenediamine","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","1","0.5","KA1219","Nagel, N.; Näther, C.; Bock, H.","<i>N</i>,<i>N</i>'-Bis(4-methylbenzoyl)-<i>p</i>-phenylenediamine at 200K","Acta Crystallographica Section C","1997","53","1","79","81","10.1107/S0108270196011778","","","0.71073","MoKα","","0.0511","0.0399","","0.1094","0.1011","","","","1.061","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005879","18.07","0.003","21.23","0.004","9.021","0.002","90","","90","","90","","3460.7","1.2","296","1","","","","","","","","","","5","A b a 2","A 2 -2ab","41","","1,2-Bis(diphenylphosphino)ethanebis(toluenethiol)palladium(II), Pd{Ph~2~P(CH~2~)~2~PPh~2~}(SCH~2~Ph)~2~","","- C40 H38 P2 Pd S2 -","- C40 H38 P2 Pd S2 -","- C160 H152 P8 Pd4 S8 -","4","","KH1116","Su, W.; Hong, M.; Cao, R.; Liu, H.","[1,2-Bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']bis(α-toluenethiolato-<i>S</i>)palladium(II), [Pd{Ph~2~P(CH~2~)~2~PPh~2~}(SCH~2~Ph)~2~]","Acta Crystallographica Section C","1997","53","1","66","67","10.1107/S0108270196012036","","","0.71073","MoKα","","","0.039","","","0.054","","","","","1.23","1.23","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005880","6.09","0.004","7.66","0.004","10.356","0.007","90","","90","","90","","483.1","0.5","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Phosphonoacetic acid","","- C2 H5 O5 P -","- C2 H5 O5 P -","- C8 H20 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0318","0.0252","","0.0712","0.068","","","","1.127","1.135","1.135","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005881","6.99","0.004","6.266","0.003","15.932","0.008","90","","98.41","0.04","90","","690.3","0.6","297","1","297","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium phosphonoacetate hydrate","","- C2 H6 K O6 P -","- C2 H6 K O6 P -","- C8 H24 K4 O24 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0555","0.0353","","0.0995","0.0923","","","","1.075","1.124","1.124","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005882","7.949","0.004","9.931","0.005","8.407","0.004","90","","99.73","0.04","90","","654.1","0.6","297","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium phosphonoacetate hydrate","","- C2 H6 K O6 P -","- C2 H6 K O6 P -","- C8 H24 K4 O24 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0822","0.0375","","0.105","0.0934","","","","1.041","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005883","6.812","0.004","10.258","0.004","9.285","0.004","90","","100.84","0.04","90","","637.2","0.5","303","1","303","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ammonium phosphonoacetate","","- C2 H8 N O5 P -","- C2 H8 N O5 P -","- C8 H32 N4 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0665","0.0293","","0.0879","0.0768","","","","1.042","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005884","6.516","0.003","10.596","0.004","7.348","0.003","90","","95.82","0.04","90","","504.7","0.4","297","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Lithium phosphonoacetate","","- C2 H4 Li O5 P -","- C2 H4 Li O5 P -","- C8 H16 Li4 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.033","0.024","","0.074","0.0702","","","","1.076","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005885","5.806","0.002","17.43","0.006","14.607","0.005","90","","90","","90","","1478.2","0.9","295","1","295","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","sodium phosphonoacetate dihydrate","","- C2 H8 Na O7 P -","- C2 H8 Na O7 P -","- C16 H64 Na8 O56 P8 -","8","2","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","1.5418","CuKα","","0.0408","0.0378","","0.1048","0.1026","","","","1.082","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005886","9.26","0.004","10.163","0.004","6.885","0.004","90","","95.95","0.04","90","","644.5","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dipotassium phosphonoacetate","","- C2 H3 K2 O5 P -","- C2 H3 K2 O5 P -","- C8 H12 K8 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0545","0.0272","","0.0806","0.0731","","","","1.013","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005887","9.568","0.007","10.407","0.009","7.087","0.006","90","","93.89","0.07","90","","704.1","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diammonium phosphonoacetate","","- C2 H11 N2 O5 P -","- C2 H11 N2 O5 P -","- C8 H44 N8 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.039","0.0352","","0.0955","0.0928","","","","1.1","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005888","11.76","0.02","6.78","0.004","19.64","0.02","90","","101.42","0.09","90","","1535","3","297","1","297","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","disodium phosphonoacetate dihydrate","","- C2 H7 Na2 O7 P -","- C2 H7 Na2 O7 P -","- C16 H56 Na16 O56 P8 -","8","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0801","0.0513","","0.1532","0.1371","","","","1.034","1.104","1.104","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005889","6.883","0.006","10.982","0.009","14.148","0.009","90","","90.19","0.06","90","","1069.4","1.4","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","triammonium phosphonoacetate dihydrate","","- C2 H18 N3 O7 P -","- C2 H18 N3 O7 P -","- C8 H72 N12 O28 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0592","0.0284","","0.0863","0.0771","","","","1.063","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005890","7.891","0.006","24.846","0.017","8.324","0.006","90","","101.46","0.06","90","","1599","2","297","1","297","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","trisodium phosphonoacetate decahydrate","","- C2 H22 Na3 O15 P -","- C2 H22 Na3 O15 P -","- C8 H88 Na12 O60 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0719","0.0372","","0.1027","0.0922","","","","1.019","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005891","12.688","0.002","11.894","0.004","16.876","0.002","90","","101.78","0.01","90","","2493.1","1","295","","298","","","","","","","","","4","P 1 21 1","","","","(+)-1-allyl-N'-(5R,8S)[9,10-didehydro-6-methylergolin-8-yl]-N,N-diethylurea (+)(S)-2-(6-methoxy-2-naphthyl)propionic acid","","- C54 H68 N4 O9 -","- C54 H68 N4 O9 -","- C108 H136 N8 O18 -","2","1","NA1243","Bachechi, F.; Flieger, M.; Sinibaldi, M.","Complex of a Lisuride Derivative and (<i>S</i>)-Naproxen","Acta Crystallographica Section C","1997","53","1","136","140","10.1107/S0108270196009870","","","1.54178","CuKα","","","0.049","","","0.0566","","","","","2.03","2.03","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2005892","12.6","0.003","7.258","0.001","6.162","0.001","90","","114.49","0.03","90","","512.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Diguanidinium hexafluorate silicate","","","- C2 H12 F6 N6 Si -","- C2 H12 F6 N6 Si -","- C4 H24 F12 N12 Si2 -","2","0.25","NA1247","Waskowska, A.","Diguanidinium Hexafluorosilicate","Acta Crystallographica Section C","1997","53","1","128","130","10.1107/S0108270196011717","","","0.71073","MoKα","","0.0389","0.0304","","0.062","0.059","","","","1.04","1.052","1.052","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2005893","13.6293","0.0006","10.364","0.001","33.859","0.002","90","","100.236","0.003","90","","4706.6","0.6","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,8-Dimethyl-5-(4-fluorophenyl)-2-(p-toluolylaminomethyl)-2,3-dihydro- 1H-1,4-benzodiazepine Monohydrate.","","- C26 H28 F N3 O2 -","- C26 H28 F N3 O2 -","- C208 H224 F8 N24 O16 -","8","2","NA1261","Peeters, O. M.; Blaton, N. M.; de Ranter, C. J.","5-(4-Fluorophenyl)-1,8-dimethyl-2-(<i>p</i>-toluoylaminomethyl)-2,3-dihydro-1<i>H</i>-1,4-benzodiazepine Monohydrate","Acta Crystallographica Section C","1997","53","1","95","97","10.1107/S0108270196011729","","","1.54184","CuKα","","0.1319","0.0532","","0.1799","0.1418","","","","0.853","1.255","1.255","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005894","8.813","0.001","9.597","0.001","12.805","0.002","70.12","0.01","84.45","0.01","67.87","0.01","942.8","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","2,6-dimethyl-4-(3-nitrophenyl)pyridinium-3,5-dicarboxylate nitrate monohydrate","","- C15 H15 N3 O10 -","- C15 H21 N3 O13 -","- C30 H42 N6 O26 -","2","1","PA1241","Rowan, K. R.; Holt, E. M.","3,5-Dicarboxy-2,6-dimethyl-4-(3-nitrophenyl)pyridinium Nitrate Monohydrate","Acta Crystallographica Section C","1997","53","1","106","108","10.1107/S0108270196011821","","","0.71073","MoKα","","","0.046","","","0.0561","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005895","12.399","0.001","7.09","0.001","12.939","0.002","90","","108.49","0.01","90","","1078.7","0.2","293","2","293","2","","","","","","","","3","C 1 m 1","C -2y","8","","Osmiumstannat","","- O14 Os3 Sn15 -","- O14 Os3 Sn15 -","- O28 Os6 Sn30 -","2","0.5","SK1025","Söhnel, T.; Reichelt, W.","Os~3~Sn~15~O~14~, ein ternäres Oxid mit osmiumgefüllten Sn~6~-Oktaedern","Acta Crystallographica Section C","1997","53","1","9","11","10.1107/S0108270196009560","","","0.71073","MoKα","","0.041","0.0344","","0.0893","0.0871","","","","1.049","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005896","14.6057","0.0002","9.237","0.0001","18.6333","0.0003","90","","91.79","0.001","90","","2512.64","0.06","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 O11 -","- C25 H28 O11 -","- C100 H112 O44 -","4","1","SK1033","Boehlow, T. R.; Rath, N. P.; Spilling, C. D.","Methyl 4-Hydroxy-3-[4-methoxy-2-(methoxymethyleneoxy)phenyl]-2-{[4-methoxy-2-(methoxymethyleneoxy)phenyl]methyl}-5-oxo-2,5-dihydrofuran-2-carboxylate","Acta Crystallographica Section C","1997","53","1","92","95","10.1107/S0108270196011602","","","0.71073","MoKα","","0.0913","0.0753","","0.25","0.2142","","","","1.095","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005897","16.942","0.001","16.942","0.001","5.9187","0.0004","90","","90","","120","","1471.25","0.16","298","2","298","2","","","","","","","","4","R 3 :H","R 3","146","tribenzyltin chloride","chlorotris(phenylmethyl)stannane","","- C21 H21 Cl Sn -","- C21 H21 Cl Sn -","- C63 H63 Cl3 Sn3 -","3","0.333333","SK1046","Ng, S. W.","Tribenzyltin Chloride","Acta Crystallographica Section C","1997","53","1","56","58","10.1107/S0108270196011614","","","0.71073","MoKα","","0.0229","0.0229","","0.0563","0.0563","","","","1.065","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005898","9.4512","0.0007","9.8717","0.0006","21.145","0.002","90","","90.693","0.009","90","","1972.7","0.3","291","","291","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C80 H56 F24 O16 -","8","2","SX1008","Swenson, D. C.; Lu, H.; Burton, D. J.","(<i>Z</i>)-3-Phenyl-2-(trifluoromethyl)prop-2-enoic Acid: a Hydrogen-Bonded Dimer","Acta Crystallographica Section C","1997","53","1","111","113","10.1107/S0108270196010803","","","1.54184","CuKα","","0","0.056","","","0.082","","","","","1.175","1.175","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2005899","17.133","0.003","13.714","0.001","10.776","0.001","90","","98.6","0.01","90","","2503.5","0.5","292.7","","292.7","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 Cl2 Cu2 N2 O2 P2 S4 -","- C50 H44 Cl2 Cu2 N2 O2 P2 S4 -","- C100 H88 Cl4 Cu4 N4 O4 P4 S8 -","2","0.5","TA1094","Shibahara, T.; Kobayashi, S.; Long, D.; Xin, X.","Bis{μ-chloro-[2(3<i>H</i>)-benzothiazolethione](triphenylphosphine)copper(I)} Dihydrate","Acta Crystallographica Section C","1997","53","1","58","60","10.1107/S0108270196011961","","","1.5418","CuKα","","","0.065","","","0.0859","","","","","1.658","1.658","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2005900","14.453","0.002","10.149","0.003","17.136","0.001","90","","91.315","0.007","90","","2512.9","0.8","213","1","213","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl3 N O8 -","- C22 H23 Cl3 N O8 -","- C88 H92 Cl12 N4 O32 -","4","1","TA1095","Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.","A Possible Synthetic Precursor to the Tropoloisoquinoline Alkaloid Pareirubrine A","Acta Crystallographica Section C","1997","53","1","109","111","10.1107/S0108270196009092","","","1.5418","CuKα","","","0.0615","","","0.0641","","","","","2.175","2.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005902","9.405","0.001","7.669","0.002","9.436","0.001","90","","104.177","0.009","90","","659.9","0.2","296","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H20 N3 O8 P -","- C6 H20 N3 O8 P -","- C12 H40 N6 O16 P2 -","2","1","TA1109","Suga, T.; Okabe, N.","<small>L</small>-Histidinol Phosphate Tetrahydrate","Acta Crystallographica Section C","1997","53","1","134","136","10.1107/S0108270196012516","","","0.71069","MoKα","","","0.036","","","0.049","","","","","1.87","1.87","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2005903","15.804","0.002","15.112","0.002","12.684","0.002","90","","104.89","0.01","90","","2927.6","0.7","296","","23","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C26 H28 Cl3 N6 O4 Sm -","- C26 Cl3 N6 O4 Sm -","- C104 Cl12 N24 O16 Sm4 -","4","1","TA1110","Jin, H.-Y.; Akiba, M.; Umakoshi, K.; Sasaki, Y.; Kabuto, K.","Dichloro[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)ethylenediamine]samarium(III) Perchlorate","Acta Crystallographica Section C","1997","53","1","60","63","10.1107/S0108270196009924","","","0.71069","MoKα","","","0.049","","","0.043","","","","","2.248","2.248","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005904","7.9656","0.0011","9.7996","0.001","12.036","0.002","86.45","0.02","80.28","0.02","77.45","0.02","903.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,2-diphenyl-3-benzyl-guanidine hydrochloride","","- C20 H20 Cl N3 -","- C20 H20 Cl N3 -","- C40 H40 Cl2 N6 -","2","1","TA1114","Sudha, L.; Subramanian, K.; Senthil Selvan, J.; Steiner, Th.; Koellner, G.; Ramdas, K.; Srinivasan, N.","1,2-Diphenyl-3-benzylguanidine Hydrochloride","Acta Crystallographica Section C","1997","53","1","86","88","10.1107/S010827019601195X","","","1.54176","CuKα","","0.0366","0.0353","","0.0929","0.0922","","","","1.078","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005905","16.331","0.006","29.61","0.01","10.854","0.005","90","","90","","90","","5249","4","296","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C50 H48 Cl4 N2 O7 P2 Re2 -","- C50 H44 Cl4 N2 O7 P2 Re2 -","- C200 H176 Cl16 N8 O28 P8 Re8 -","4","1","AB1373","Gerber, T. I. A.; Perils, J.; Du Preez, J. G. H.; Bandoli, G.","Chelation of 2,6-Bis(hydroxymethyl)pyridine in <i>cis</i>-Dichloro(triphenylphosphine-<i>P</i>)[2-(oxymethylene-<i>O</i>)-6-(hydroxymethyl)pyridine-<i>N</i>]oxorhenium(V)‒Water (2/1)","Acta Crystallographica Section C","1997","53","2","217","219","10.1107/S0108270196013030","","","0.71073","MoKα","","","0.0443","","","0.0597","","","","","0.85","0.85","","","","","has coordinates","191095","2020-10-21","18:00:00",""
"2005906","12.356","0.0011","13.624","0.0012","14.705","0.0015","90","","90","","90","","2475.4","0.4","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Mo O4 -","- C12 H14 Mo O4 -","- C96 H112 Mo8 O32 -","8","1","AB1394","Ülkü, D.; Tahir, M. N.; Özkar, S.","Tetracarbonyl(η^2:2^-1,5-cyclooctadiene)molybdenum(0)","Acta Crystallographica Section C","1997","53","2","185","187","10.1107/S0108270196012723","","","0.71073","MoKα","","","0.029","","","0.034","","","","","0.74","0.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005907","7.627","0.001","9.054","0.001","14.6","0.001","78.64","0.01","84.91","0.01","63.67","0.01","885.9","0.18","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 Co N4 O10 -","- C34 H42 Co N4 O10 -","- C34 H42 Co N4 O10 -","1","0.5","AB1409","Hökelek, T.; Necefouglu, H.","Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)bis(2-hydroxybenzoato-<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1997","53","2","187","189","10.1107/S0108270196013170","","","0.71073","MoKα","","","0.05","","","0.056","","","","","1.56","1.56","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005908","11.582","0.002","9.407","0.002","18.429","0.004","90","","108.14","0.02","90","","1908.1","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","wwanthra","9,10-bis[2-ethynyl(4-N,N-diphenylamino)phenyl]anthracene","","- C54 H36 N2 -","- C54 H36 N2 -","- C108 H72 N4 -","2","0.5","BK1186","Venkataraman, D.; Wang, P.-W.; Moore, J. S.","9,10-Bis{2-[4-(<i>N</i>,<i>N</i>-diphenylamino)phenyl]ethynyl}anthracene","Acta Crystallographica Section C","1997","53","2","241","243","10.1107/S0108270196012620","","","0.71073","MoKα","","0.0747","0.0438","","0.1228","0.1057","","","","1.04","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005909","3.9237","0.0001","11.9223","0.0002","17.7519","0.0003","90","","97.034","0.002","90","","824.18","0.03","173","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-bromo-2,6-dichlorobenzonitrile","","- C7 H2 Br Cl2 N -","- C7 H2 Br Cl2 N -","- C28 H8 Br4 Cl8 N4 -","4","1","BK1210","Britton, D.","4-Bromo-2,6-dichlorobenzonitrile","Acta Crystallographica Section C","1997","53","2","225","227","10.1107/S0108270196012656","","","0.71069","MoKα","","","0.046","","","0.056","","","","","1.74","1.74","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005910","8.76","0.009","7.869","0.005","14.04","0.01","90","","93.12","0.07","90","","966.4","1.4","153","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4-Dinitrocinnamic acid","E-3-(2,4-Dinitrophenyl)-2-propenoic acid","","- C9 H6 N2 O6 -","- C9 H6 N2 O6 -","- C36 H24 N8 O24 -","4","1","BK1250","Thalladi, V. R.; Sharma, C. V. K.; Desiraju, G. R.","2,4-Dinitro-<i>trans</i>-cinnamic Acid","Acta Crystallographica Section C","1997","53","2","227","229","10.1107/S0108270196012310","","","0.71069","MoKα","","0.06","0.04","","0.091","0.084","","","","1.024","1.124","1.124","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005911","13.098","0.003","13.211","0.003","12.578","0.003","90","","90","","90","","2176.5","0.9","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[1,2-bis(dimethylamino)ethane]tetrachlorothorium(IV)","","- C12 H32 Cl4 N4 Th -","- C12 H32 Cl4 N4 Th -","- C48 H128 Cl16 N16 Th4 -","4","1","BK1289","Rabinovich, D.; Schimek, G. L.; Pennington, W. T.; Nielsen, J. B.; Abney, K. D.","Tetrachlorobis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>,<i>N</i>')thorium(IV)","Acta Crystallographica Section C","1997","53","2","191","193","10.1107/S0108270196012796","","","0.71073","MoKα","","0.036","0.0313","","0.036","0.0356","","","","","1.65","1.65","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005912","8.4511","0.0013","9.8471","0.0016","12.2407","0.0018","111.352","0.012","91.97","0.014","108.781","0.011","884.8","0.3","295","","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 N4 -","- C20 H24 N4 -","- C40 H48 N8 -","2","1","BM1050","Ülkü, D.; Tahir, M. N.; Çetinkaya, B.; Özdemir, I.","<i>cis</i>-1,1'-Dimethyl-3,3'-diphenyl-2,2'-biimidazolidinylidene","Acta Crystallographica Section C","1997","53","2","240","241","10.1107/S0108270196013121","","","0.71073","MoKα","","","0.046","","","0.057","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005913","21.174","0.004","21.174","0.004","15.119","0.002","90","","90","","90","","6778","2","293","2","293","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","Bis(tetraethylammonium) bis(μ-sulfido)-bis[(1,2,3,4-tetrathiabutan-1,4-diyl-S,S)thiotungstate(V)]","","- C16 H40 N2 S12 W2 -","- C16 H30 N2 S12 W2 -","- C128 H240 N16 S96 W16 -","8","0.5","BM1055","Mukherjee, A. K.; Das, P. K.; Mukherjee, M.; Chakraborty, P. K.; Bhattacharya, R.","Disorder in Bis(tetraethylammonium) Bis(μ-sulfido)bis[(1,2,3,4-tetrathiabutane-1,4-diyl-<i>S</i>,<i>S</i>)thiotungstate(V)]","Acta Crystallographica Section C","1997","53","2","209","212","10.1107/S0108270196011699","","","0.71073","MoKα","","0.0676","0.0484","","0.1244","0.1139","","","","1.044","1.09","1.09","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005914","11.932","0.002","10.032","0.008","15.309","0.003","90","","109.73","0.01","90","","1724.9","1.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Trimethyl[9-(dimethylaminomethyl)carbazole]gallium","","- C18 H25 Ga N2 -","- C18 H25 In N2 -","- C72 H100 In4 N8 -","4","1","BM1084","Gu, W.; Pan, Y.; Shen, Y.; Huang, X.; Sun, H.; Sun, X.","[(Carbazolylmethyl)dimethylamine-<i>N</i>]trimethylgallium","Acta Crystallographica Section C","1997","53","2","190","191","10.1107/S0108270196011705","","","0.71073","MoKα","","","0.04","","","0.048","","","","","1.4","1.4","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2005915","9.144","0.001","11.087","0.002","13.241","0.001","91.64","0.02","102.62","0.01","112.09","0.02","1204.6","0.3","295","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N8 Ni O10 -","- C20 H22 N8 Ni O10 -","- C40 H44 N16 Ni2 O20 -","2","1","BM1107","Tahir, M. N.; Ülkü, D.; Nazir, H.; Atakol, O.","Bis{2-[(3-aminopropyl)iminomethyl]-4,6-dinitrophenolato-<i>O</i>,<i>N</i>,<i>N</i>'}nickel(II)","Acta Crystallographica Section C","1997","53","2","181","183","10.1107/S0108270196012966","","","0.71073","MoKα","","","0.031","","","0.038","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005916","10.73","0.001","27.197","0.004","10.127","0.002","90","","99.44","0.01","90","","2915.3","0.8","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27.7 H36.3 B Cu F4 N4.7 O2.3 -","- C27.7 H35.1 B Cu F4 N4.7 O2.3 -","- C110.8 H140.4 B4 Cu4 F16 N18.8 O9.2 -","4","1","BM1108","Fenton, D. E.; He, Q.-Y.; McKee, V.","[6-(2-Pyridylmethyl)-2,6,10-triazaundecane-1,11-diylbis(2-phenolato)(1 ‒)]copper(II) Tetrafluoroborate Methanol Acetonitrile Solvate (1/1/0.3/0.7)","Acta Crystallographica Section C","1997","53","2","207","209","10.1107/S0108270196012978","","","0.71073","MoKα","","0.0855","0.0524","","0.1273","0.1024","","","","1.179","1.216","1.216","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005917","6.284","0.003","14.415","0.007","25.633","0.013","90","","96.42","0.03","90","","2307","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 O -","- C31 H24 O -","- C124 H96 O4 -","4","1","BM1112","Nastopoulos, V.; Kallitsis, J.; Naarmann, H.; Dideberg, O.; Dupont, L.","2',3'-Diphenyl-Substituted <i>p</i>-Terphenyls","Acta Crystallographica Section C","1997","53","2","248","251","10.1107/S0108270196013467","","","1.5418","CuKα","","0.0679","0.0416","","0.123","0.1151","","","","1.007","1.183","1.183","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005918","10.2274","0.0006","10.6632","0.0009","22.7258","0.0013","90","","102.799","0.01","90","","2416.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 O2 -","- C32 H26 O2 -","- C128 H104 O8 -","4","1","BM1112","Nastopoulos, V.; Kallitsis, J.; Naarmann, H.; Dideberg, O.; Dupont, L.","2',3'-Diphenyl-Substituted <i>p</i>-Terphenyls","Acta Crystallographica Section C","1997","53","2","248","251","10.1107/S0108270196013467","","","1.5418","CuKα","","0.078","0.0523","","0.1637","0.1539","","","","1.101","1.268","1.268","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005919","23.2581","0.0013","13.8504","0.0006","7.5293","0.0005","90","","90","","90","","2425.4","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba~6~V~4~O~5~S~11~","","- Ba6 O5 S11 V4 -","- Ba6 O5 S11 V4 -","- Ba24 O20 S44 V16 -","4","0.5","BR1155","Litteer, J. B.; Fettinger, J. C.; Eichhorn, B. W.","Ba~6~V~4~O~5~S~11~","Acta Crystallographica Section C","1997","53","2","163","165","10.1107/S0108270196011687","","","0.71073","MoKα","","0.0464","0.0394","","0.1023","0.0979","","","","1.061","1.089","1.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005920","8.5613","0.0004","7.11","0.0003","5.1851","0.0001","111.441","0.002","89.986","0.003","103.065","0.004","284.99","0.02","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Tetralithium diphosphate","","","- Li4 O7 P2 -","- Li4 O7 P2 -","- Li8 O14 P4 -","2","1","BR1158","Daidouh, A.; Veiga, M. L.; Pico, C.; Martinez-Ripoll, M.","A New Polymorph of Li~4~P~2~O~7~","Acta Crystallographica Section C","1997","53","2","167","169","10.1107/S0108270196011869","","","0.7107","MoKα","","0.0309","0.0291","","0.0945","0.0934","","","","1.34","1.365","1.365","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005921","9.7337","0.0008","7.2012","0.0006","12.5976","0.0012","90","","90","","90","","883.02","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Potassium Tungsten Selenide","","","- K2 Se4 W -","- K2 Se4 W -","- K8 Se16 W4 -","4","0.5","BR1161","Röhnert, D.; Näther, C.; Bensch, W.","K~2~WSe~4~","Acta Crystallographica Section C","1997","53","2","165","167","10.1107/S0108270196013765","","","0.71073","MoKα","","0.0605","0.0321","","0.086","0.0788","","","","1.026","1.136","1.136","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005922","13.641","0.003","7.034","0.001","12.403","0.002","90","","94.66","0.03","90","","1186.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","η^5^-Cyclopentadienyl Phenylimido Vanadium Dichloride","","- C11 H10 Cl2 N V -","- C11 H10 Cl2 N V -","- C44 H40 Cl8 N4 V4 -","4","1","CF1112","Chan, M. C. W.; Cole, J. M.; Gibson, V. C.; Howard, J. A. K.","Dichloro(η^5^-cyclopentadienyl)(phenylimido)vanadium(V)","Acta Crystallographica Section C","1997","53","2","202","204","10.1107/S0108270196012875","","","0.71073","MoKα","","0.1245","0.0545","","0.0905","0.0795","","","","0.994","1.169","1.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005923","8.83","0.002","9.363","0.002","10.134","0.002","90","","90","","90","","837.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-deoxy-Me-α-D-mannopyranoside","3-deoxy Methyl-α-D-arabino hexopyranoside","","- C7 H14 O5 -","- C7 H14 O5 -","- C28 H56 O20 -","4","1","CF1140","Evdokimov, A. G.; Frolow, F.","Methyl 3-Deoxy-α-<small>D</small>-<i>arabino</i>-hexopyranoside","Acta Crystallographica Section C","1997","53","2","264","266","10.1107/S0108270196012863","","","0.71073","MoKα","","0.0788","0.0593","","0.1197","0.1072","","","","1.078","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005924","29.3869","0.0014","12.1954","0.0008","13.57","0.0009","90","","103.845","0.005","90","","4722","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H5 F3 Fe4 O11 -","- C20 H5 F3 Fe4 O11 -","- C160 H40 F24 Fe32 O88 -","8","1","CF1141","Muir, K. W.; Manojlovic-Muir, L.; Morrice, F.; Guennou, K.; Pétillon, F.; Rumin, R.","A Tetranuclear Iron Cluster Complex: [{Fe(CO)~3~}~3~{μ~3~-CC[Fe(CO)~2~(η^5^-C~5~H~5~)]C(CF~3~)}]","Acta Crystallographica Section C","1997","53","2","219","222","10.1107/S0108270196012632","","","0.71073","MoKα","","0.1078","0.0406","","0.0941","0.0741","","","","1.023","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005925","6.776","0.001","17.928","0.001","21.642","0.001","90","","90","","90","","2629.1","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9β-hydroxy-28-methoxy-11,28-dioxo-1,2-dinor-10α-18β-olean-12-en-3,10β-olide","","- C29 H42 O6 -","- C29 H42 O6 -","- C116 H168 O24 -","4","1","CF1142","Gzella, A.; Zaprutko, L.; Wrzeciono, U.","Triterpenoide. X. Über neue isomere Triterpenlactone","Acta Crystallographica Section C","1997","53","2","261","264","10.1107/S0108270196012887","","","1.54178","CuKα","","0.0495","0.0404","","0.1224","0.117","","","","1.061","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005926","10.303","0.001","6.864","0.001","18.844","0.001","90","","90.88","0.01","90","","1332.5","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9β-hydroxy-28-methoxy-11,28-dioxo-1,2-dinor-10α-18α-olean-12-en-3,10β-olide","","- C29 H42 O6 -","- C29 H42 O6 -","- C58 H84 O12 -","2","1","CF1142","Gzella, A.; Zaprutko, L.; Wrzeciono, U.","Triterpenoide. X. Über neue isomere Triterpenlactone","Acta Crystallographica Section C","1997","53","2","261","264","10.1107/S0108270196012887","","","1.54178","CuKα","","0.0513","0.0466","","0.1398","0.1356","","","","1.051","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005927","10.701","0.001","12.771","0.002","18.751","0.002","90","","90","","90","","2562.6","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9α-hydroxy-28-methoxy-11,28-dioxo-1,2-dinor-10α-18α-olean-12-en-3,10β-olide","","- C29 H42 O6 -","- C29 H42 O6 -","- C116 H168 O24 -","4","1","CF1142","Gzella, A.; Zaprutko, L.; Wrzeciono, U.","Triterpenoide. X. Über neue isomere Triterpenlactone","Acta Crystallographica Section C","1997","53","2","261","264","10.1107/S0108270196012887","","","1.54178","CuKα","","0.0536","0.0411","","0.1222","0.117","","","","1.086","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005928","14.438","0.005","8.697","0.005","11.964","0.007","90","","98.44","0.04","90","","1486","1.3","296","2","23","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)Methyl (1α,1aα,3aα,6aα,6bα)-1a-ethenyl-octahydro- 6a-methoxy-2,2- dimethyl-3,6-dioxacyclobut[cd]indene-1-carboxylate","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","CR1168","Britten, J. F.; Kassam, K.; Warkentin, J.","A Novel Tricyclic Cyclobutanone Ketal","Acta Crystallographica Section C","1997","53","2","243","245","10.1107/S0108270196013224","","","1.5418","CuKα","","0.1895","0.0456","","0.1644","0.1077","","","","1.01","1.189","1.189","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005929","7.138","0.003","10.148","0.004","10.686","0.002","105.81","0.03","104.54","0.02","105.3","0.03","673.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cu N2 O6 -","- C13 H14 Cu N2 O6 -","- C26 H28 Cu2 N4 O12 -","2","1","DE1039","Suresh, E.; Bhadbhade, M. M.","Metal‒α,ω-Dicarboxylate Complexes. I. Aqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(malonato-<i>O</i>,<i>O</i>')copper(II) Monohydrate","Acta Crystallographica Section C","1997","53","2","193","195","10.1107/S0108270196012395","","","0.7107","MoKα","","0.0411","0.0382","","0.1066","0.1034","","","","1.046","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005930","21.421","0.002","21.421","0.002","15.063","0.002","90","","90","","120","","5985.8","1.1","293","2","293","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","Tris(1-ethyl-3,5-diaza-1-azonia-7-phosphatricyclodecane iodide)gold(I) Iodide Trihydrate","","- C24 H53 Au I4 N9 O3 P3 -","- C24 H57 Au I4 N9 O3 P3 -","- C144 H342 Au6 I24 N54 O18 P18 -","6","0.333333","FG1092","Forward, J. M.; Staples, R. J.; Liu, C. W.; Fackler, Jnr, J. P.","Luminescent Tris(3-ethyl-1,5-diaza-3-azonia-7-phosphatricyclo[3.3.1.1^3,7^]decane-<i>P</i>)gold(I) Tetraiodide Trihydrate, [(EtTPA)~3~Au]I~4~.3H~2~O","Acta Crystallographica Section C","1997","53","2","195","197","10.1107/S0108270196012486","","","0.71073","MoKα","","0.0348","0.0245","","0.0601","0.0565","","","","1.075","1.086","1.086","","","","","has coordinates","188927","2020-10-21","18:00:00",""
"2005931","8.7563","0.0001","9.0187","0.0002","16.9354","0.0004","90","","90","","90","","1337.4","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-O-isopropylidene-3-acetamido-5-O-acetyl-D-ribofuranose","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C48 H76 N4 O24 -","4","1","FG1209","Abboud, K. A.; Parr, I. B.; Horenstein, B. A.","3-Acetamido-5-<i>O</i>-acetyl-1,2-<i>O</i>-isopropylidene-<small>D</small>-ribofuranose","Acta Crystallographica Section C","1997","53","2","245","247","10.1107/S0108270196012498","","","0.71073","MoKα","","0.0354","0.0305","","0.0932","0.0729","","","","1.092","1.084","1.084","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005932","16.903","0.002","12.158","0.002","12.342","0.002","90","","114.96","0.03","90","","2299.5","0.8","295","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cu2 N2 O4 -","- C28 H22 Cu2 N2 O4 -","- C112 H88 Cu8 N8 O16 -","4","0.5","FR1008","Ülkü, D.; Ercan, F.; Atakol, O.; Ercan, I.; Gencer, A.","Bis{2-[(2-hydroxybenzyl)iminomethyl]phenolato(2 ‒)-<i>O</i>:<i>O</i>,<i>N</i>,<i>O</i>'}dicopper(II)","Acta Crystallographica Section C","1997","53","2","179","181","10.1107/S0108270196012590","","","0.71073","MoKα","","","0.068","","","0.082","","","","","0.94","0.94","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005933","21.334","0.006","6.985","0.002","17.1","0.006","90","","123.45","0.02","90","","2126.1","1.2","295.2","","295.2","","","","","","","","","6","P 1 2/m 1","-P 2y","12","","","","- C17 H19 Co N6 O2 S2 -","- C10.5 H15 Co0.5 N3 O1.5 S -","- C42 H60 Co2 N12 O6 S4 -","4","1","HA1172","Beddoes, R. L.; Dinsmore, A.; Helliwell, M.; Garner, C. D.; Joule, J. A.","A Pteridin-6-yl Alkene-1,2-dithiolate Complex of Cobalt","Acta Crystallographica Section C","1997","53","2","213","215","10.1107/S0108270196013571","","","0.7107","MoKα","","0.1202","0.0657","","0.0826","0.0787","","","","2.702","3.332","3.332","","","","","has coordinates","198535","2020-10-21","18:00:00",""
"2005934","10.3144","0.0012","10.3144","0.0012","13.177","0.002","90","","90","","120","","1214","0.3","296","2","296","2","","","","","","","","4","P 31","P 31","144","","Bis[(S)-(-)-α-Methylbenzyl]thiourea","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C51 H60 N6 S3 -","3","1","HA1175","Bailey, P. J.; Grant, K. J.; Parsons, S.","Bis[(<i>S</i>)-({-})-α-methylbenzyl]thiourea","Acta Crystallographica Section C","1997","53","2","247","248","10.1107/S010827019601298X","","","0.71073","MoKα","","0.0901","0.0456","","0.0788","0.0667","","","","1.018","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005935","8.781","0.001","15.021","0.002","13.452","0.003","90","","102.18","0.02","90","","1734.4","0.5","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H24 Cl2 Cu N4 O8 -","- C9 H24 Cl2 Cu N4 O12 -","- C36 H96 Cl8 Cu4 N16 O48 -","4","1","HR1023","Lu, T.-H.; Tahirov, T. H.; Shu, K.; Chung, C.-S.","Copper(II) and Nickel(II) Complexes of 4-Methyl-4,7-diazadecane-1,10-diamine","Acta Crystallographica Section C","1997","53","2","204","206","10.1107/S0108270196006129","","","0.71073","MoKα","","","0.036","","","0.047","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005936","8.732","0.001","14.8","0.002","13.655","0.003","90","","100.14","0.02","90","","1737.1","0.5","298","3","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H24 Cl2 N4 Ni O8 -","- C9 H24 Cl2 N4 Ni O8 -","- C36 H96 Cl8 N16 Ni4 O32 -","4","1","HR1023","Lu, T.-H.; Tahirov, T. H.; Shu, K.; Chung, C.-S.","Copper(II) and Nickel(II) Complexes of 4-Methyl-4,7-diazadecane-1,10-diamine","Acta Crystallographica Section C","1997","53","2","204","206","10.1107/S0108270196006129","","","0.71073","MoKα","","","0.078","","","0.087","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005937","7.047","0.001","23.973","0.005","12.28","0.002","90","","101","0.03","90","","2036.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 Cl3 N5 Pt -","- C15 H28 Cl3 N5 Pt -","- C60 H112 Cl12 N20 Pt4 -","4","1","JZ1120","Karentzopoulos, S.; Engelking, H.; Bremer, B.; Paschke, N.; Krebs, B.","The First Example of a <i>cis</i>-Platinum Analogue with Two Directly Bridged Imidazoles: [Pt(mimim)Cl~2~].Et~4~NCl","Acta Crystallographica Section C","1997","53","2","172","174","10.1107/S0108270196011948","","","0.71073","MoKα","","0.0964","0.0489","","0.105","0.0893","","","","1.018","1.073","1.073","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005938","8.4083","0.0007","9.404","0.0013","15.9899","0.0013","90","","90","","90","","1264.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","His-Gly dihydrochloride","L-Histidyl-glycine dihydrochloride","","- C8 H14 Cl2 N4 O3 -","- C8 H14 Cl2 N4 O3 -","- C32 H56 Cl8 N16 O12 -","4","1","JZ1143","Steiner, Th.","<small>L</small>-Histidylglycinium Dichloride","Acta Crystallographica Section C","1997","53","2","255","257","10.1107/S0108270196010682","","","1.54176","CuKα","","0.0333","0.0324","","0.0916","0.091","","","","1.094","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005939","9.77","0.001","16.018","0.004","7.575","0.002","90","","90","","90","","1185.5","0.4","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","9,10-dihydro-9-oxo-10-acridineacetic acid","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","JZ1150","Dobrzynska, D.; Turowska-Tyrk, I.","9,10-Dihydro-9-oxo-10-acridineacetic Acid","Acta Crystallographica Section C","1997","53","2","238","239","10.1107/S0108270196012802","","","0.71073","MoKα","","0.055","0.039","","0.115","0.103","","","","1.03","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005940","13.8538","0.0011","12.0498","0.0008","19.08","0.0012","90","","91.068","0.007","90","","3184.6","0.4","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H43 N4 -","- C37 H43 N4 -","- C148 H172 N16 -","4","1","KA1216","Näther, C.; Bock, H.","Tetrakis(<i>p</i>-dimethylaminophenyl)ethylene Hemibenzene Solvate","Acta Crystallographica Section C","1997","53","2","231","234","10.1107/S0108270196012504","","","0.71073","MoKα","","0.0642","0.0427","","0.12","0.1098","","","","1.044","1.115","1.115","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005941","9.77","0.003","8.575","0.005","10.096","0.002","90","","111.68","0.02","90","","786","0.6","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","α,β-trehalose monohydrate","","","- C12 H24 O12 -","- C12 H24 O12 -","- C24 H48 O24 -","2","1","KH1115","Taga, T.; Miwa, Y.; Min, Z.","α,β-Trehalose Monohydrate","Acta Crystallographica Section C","1997","53","2","234","236","10.1107/S0108270196012693","","","0.7107","MoKα","","","0.041","","","0.049","","","","","1","1","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005942","8.641","0.003","13.064","0.002","10.945","0.003","90","","106.861","0.002","90","","1182.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Triphenylphosphonium tetradecahydro-nido-undecaborate(-1)","","- C18 H30 B11 P -","- C18 H30 B11 P -","- C36 H60 B22 P2 -","2","0.5","MU1262","McGrath, T. D.; McGrathand, A. J.","[Ph~3~PH][<i>nido</i>-B~11~H~14~]","Acta Crystallographica Section C","1997","53","2","229","231","10.1107/S0108270196013303","","","0.71073","MoKα","","0.123","0.0594","","0.1653","0.1497","","","","1.028","1.255","1.255","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005943","8.648","0.003","14.383","0.006","15.173","0.006","90","","99.77","0.05","90","","1859.9","1.3","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Fac-tris(6-methyl-2-mercaptopyridinate)cobalt(III)","","- C18 H18 Co N3 S3 -","- C18 H18 Co N3 S3 -","- C72 H72 Co4 N12 S12 -","4","1","MU1291","Fielding, C.; Parsons, S.; Winpenny, R. E. P.","<i>fac</i>-Tris(6-methyl-2-mercaptopyridinato)cobalt(III) at 150K","Acta Crystallographica Section C","1997","53","2","174","176","10.1107/S0108270196013200","","","0.71073","MoKα","","0.0374","0.0288","","0.0729","0.0678","","","","1.055","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005944","7.72","0.001","9.764","0.001","10.643","0.002","90","","106.79","0.01","90","","768","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","(6S)-8-C-Chloro-6,7,8-trideoxy-1,1:3,4-di-O-isopropylidene-α-D-galacto- oct-6,7-dienopyranose","","- C14 H19 Cl O5 -","- C14 H19 Cl O5 -","- C28 H38 Cl2 O10 -","2","1","NA1258","Horton, D.; Liu, Q.; Luck, R. L.; Silverton, J. V.","(6<i>S</i>)-8-<i>C</i>-Chloro-6,7,8-trideoxy-1,2:3,4-di-<i>O</i>-isopropylidene-α-<small>D</small>-<i>galacto</i>-octa-6,7-dienopyranose","Acta Crystallographica Section C","1997","53","2","236","238","10.1107/S0108270196012851","","","1.54184","copperKα","","","0.045","","","0.053","","","","","1.9","1.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005945","9.736","0.003","11.021","0.004","11.147","0.006","88.07","0.04","65.79","0.03","66.1","0.04","984.7","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","dimethyl syn-(Z)-2-(4-methylphenyl- methylene)-3-(1,5,5-trimethyl-1,3,4,5- tetrahydro-2H-pyrrolidene)-butanedioate","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C42 H54 N2 O8 -","2","1","NA1259","Zellmer, D.; Niewa, R.; Preut, H.; Kreher, R. P.","A Functionalized Dimethyl 1,3-Butadiene-2,3-dicarboxylate","Acta Crystallographica Section C","1997","53","2","251","253","10.1107/S0108270196011420","","","0.71073","MoKα","","0.0735","0.0446","","0.1355","0.1125","","","","1.051","1.146","1.146","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005946","12.506","0.002","9.778","0.002","14.995","0.003","90","","95.43","0.05","90","","1825.4","0.6","295","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H23 N O2 Sn -","- C18 H23 N O2 Sn -","- C72 H92 N4 O8 Sn4 -","4","1","NA1265","Tahir, M. N.; Ülkü, D.; Danish, M.; Ali, S.; Badshah, A.; Mazhar, M.","{2-[(2,3-Dimethylphenyl)amino]benzoato-<i>O</i>:<i>O</i>'}-trimethyltin(IV)","Acta Crystallographica Section C","1997","53","2","183","185","10.1107/S0108270196013157","","","0.71073","MoKα","","","0.021","","","0.029","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005947","9.034","0.001","10.228","0.001","12.392","0.002","78.71","0.01","71.05","0.01","69.4","0.01","1009.4","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridinium-3,5-dicarboxylate nitrate","","- C18 H19 N3 O9 -","- C20 H25 N3 O12 -","- C40 H50 N6 O24 -","2","1","PA1238","Rowan, K. R.; Holt, E. M.","3-Ethoxycarbonyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridinium Nitrate, Dineopentyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate and Dihexyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1997","53","2","257","261","10.1107/S010827019601181X","","","0.71073","MoKα","","","0.0579","","","0.1494","","","","","0.898","0.898","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005948","17.736","0.003","6.139","0.001","24.756","0.004","90","","108.46","0.01","90","","2556.8","0.7","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dineopentyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","","- C25 H32 N2 O6 -","- C25 H38 N2 O6 -","- C100 H152 N8 O24 -","4","1","PA1238","Rowan, K. R.; Holt, E. M.","3-Ethoxycarbonyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridinium Nitrate, Dineopentyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate and Dihexyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1997","53","2","257","261","10.1107/S010827019601181X","","","0.71073","MoKα","","","0.0578","","","0.0654","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005949","8.089","0.002","11.495","0.002","15.707","0.005","69.29","0.02","88.12","0.02","87.03","0.02","1364.1","0.6","298","","298","","","","","","","","","4","P -1","-P 1","2","","dihexyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","","- C27 H36 N2 O6 -","- C27 H35 N3 O8 -","- C54 H70 N6 O16 -","2","1","PA1238","Rowan, K. R.; Holt, E. M.","3-Ethoxycarbonyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridinium Nitrate, Dineopentyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate and Dihexyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate","Acta Crystallographica Section C","1997","53","2","257","261","10.1107/S010827019601181X","","","0.71073","MoKα","","","0.0583","","","0.1267","","","","","0.853","0.853","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005950","5.14","0.002","14.784","0.003","11.941","0.002","90","","97.54","0.05","90","","899.5","0.4","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Co N2 O14 -","- C14 H16 Co N2 O14 -","- C28 H32 Co2 N4 O28 -","2","0.5","SK1035","Tahir, M. N.; Ülkü, D.; Movsumov, E. M.; Hökelek, T.","Tetraaquabis(<i>p</i>-nitrosalicylato) Complexes of Zinc(II) and Cobalt(II)","Acta Crystallographica Section C","1997","53","2","176","179","10.1107/S0108270196011572","","","0.71073","MoKα","","","0.027","","","0.038","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005951","5.145","0.003","14.772","0.002","11.936","0.002","90","","97.56","0.04","90","","899.3","0.6","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O14 Zn -","- C14 H16 N2 O14 Zn -","- C28 H32 N4 O28 Zn2 -","2","0.5","SK1035","Tahir, M. N.; Ülkü, D.; Movsumov, E. M.; Hökelek, T.","Tetraaquabis(<i>p</i>-nitrosalicylato) Complexes of Zinc(II) and Cobalt(II)","Acta Crystallographica Section C","1997","53","2","176","179","10.1107/S0108270196011572","","","0.71073","MoKα","","","0.026","","","0.033","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005952","16.7","0.001","17.781","0.001","19.708","0.001","90","","90","","90","","5852.1","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetramethylammonium bis(trifluoroacetato)triphenylstannate","","- C26 H27 F6 N O4 Sn -","- C26 H27 F6 N O4 Sn -","- C208 H216 F48 N8 O32 Sn8 -","8","1","SK1049","Ng, S. W.; Kumar Das, V. G.","The First Example of a Discrete Di(carboxylato)triorganostannate: Tetramethylammonium Triphenylbis(trifluoroacetato)stannate","Acta Crystallographica Section C","1997","53","2","212","213","10.1107/S0108270196012292","","","0.71073","MoKα","","0.0853","0.0509","","0.131","0.1168","","","","0.99","1.139","1.139","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005953","8.35","0.002","12.57","0.002","12.945","0.001","90","","92.21","0.01","90","","1357.7","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","ent-13-acetoxy-2β,3α-dihydroxy-1α-carboxy-10α-phenyl-20-norgibberell-16- ene-7,19-dioic acid 19,2-lactone 1',3-lactone 7-(methyl ester) acetonitrile solvate","","- C31 H33 N O8 -","- C31 H33 N O8 -","- C62 H66 N2 O16 -","2","1","TA1104","Mander, L. N.; Sherburn, M. S.; Willis, A. C.","The Unusual Structure of a C-Arylated Gibberellin Bis-γ-lactone Formed from a Free Radical-Initiated Cyclization","Acta Crystallographica Section C","1997","53","2","223","225","10.1107/S010827019601147X","","","1.5418","CopperKα","","0.053","0.053","","0.073","0.073","","","","2.017","2.017","2.017","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005954","7.163","0.002","37.56","0.01","5.113","0.003","90","","90","","90","","1375.6","1","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,13-tridecanediol","","","- C13 H28 O2 -","- C13 H28 O2 -","- C52 H112 O8 -","4","1","TA1115","Nakamura, N.; Tanihara, Y.; Takayama, T.","1,13-Tridecanediol","Acta Crystallographica Section C","1997","53","2","253","255","10.1107/S010827019601390X","","","1.5418","CuKα","","0.0755","0.0474","","0.1079","0.0758","","","","1.397","1.102","1.102","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005955","9.828","0.001","19.741","0.002","10.259","0.001","90","","112.573","0.002","90","","1837.9","0.3","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2,4-dimethyl-5,8-diazadeca-4-ene-2,10-diamine)copper(II) tetrachlorozincate(II)","","- C10 H24 Cl4 Cu N4 Zn -","- C10 H24 Cl4 Cu N4 Zn -","- C40 H96 Cl16 Cu4 N16 Zn4 -","4","1","TA1120","Gladkikh, O. P.; Curtis, N. F.; Heath, S. L.","μ-Chloro-1:2κ^2^<i>Cl</i>-trichloro-2κ^3^<i>Cl</i>-(2,4-dimethyl-5,8-diazadec-4-ene-2,10-diamine-1κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')copper(II)zinc(II)","Acta Crystallographica Section C","1997","53","2","197","200","10.1107/S0108270196013108","","","0.71073","MoKα","","0.0347","0.0283","","0.065","0.0597","","","","1.129","1.142","1.142","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005956","14.935","0.004","12.158","0.006","17.499","0.009","90","","96.3","0.03","90","","3158","2","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C12 H38 Mo5 N4 O23 P2 -","- C12 H38 Mo5 N4 O23 P2 -","- C48 H152 Mo20 N16 O92 P8 -","4","1","TA1123","Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J.","Bis(piperazinium) Pentakis(trioxomolybdo)bis(ethylphosphonate) Dihydrate","Acta Crystallographica Section C","1997","53","2","200","202","10.1107/S0108270196012024","","","0.71073","MoKα","","","0.024","","","0.022","","","","","2.9","2.9","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2005957","9.339","0.002","18.136","0.003","7.615","0.002","90","","90","","90","","1289.8","0.5","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)~589~-Λ-amminebromobis(ethylenediamine-N.N')cobalt(III) dibromide","","- C4 H19 Br3 Co N5 -","- C4 H19 Br3 Co N5 -","- C16 H76 Br12 Co4 N20 -","4","1","TA1130","Nakagawa, H.; Ohba, S.; Asakura, K.; Miura, T.; Tanaka, A.; Osanai, S.","(+)~589~-Λ-Amminebromobis(ethylenediamine-<i>N</i>,<i>N</i>')cobalt(III) Dibromide","Acta Crystallographica Section C","1997","53","2","216","217","10.1107/S0108270196013479","","","0.71073","MoKα","","","0.0448","","","0.0324","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005958","11.187","0.001","11.284","0.001","11.5771","0.0008","103.991","0.007","99.233","0.009","106.523","0.008","1317.6","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","bis(lithium) tetris(tetramethylammonium) decavandadate dodecahydrate","","- C16 H72 Li2 N4 O40 V10 -","- C16 H72 Li2 N4 O40 V10 -","- C16 H72 Li2 N4 O40 V10 -","1","0.5","TA1131","Zavalij, P. Y.; Chirayil, T.; Whittingham, M. S.; Pecharsky, V. K.; Jacobson, R. A.","A New Decavanadate with Mixed Cations, [Li(H~2~O)~4~]~2~[N(CH~3~)~4~]~4~[V~10~O~28~].4H~2~O","Acta Crystallographica Section C","1997","53","2","170","171","10.1107/S0108270196013480","","","0.71073","MoKα","","","0.052","","","0.058","","","","","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005959","7.57","0.003","13.67","0.006","11.56","0.005","90","","102.9","0.04","90","","1166.1","0.9","298","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Cl6 N2 O6 Pt -","- C12 H32 Cl6 N2 O6 Pt -","- C24 H64 Cl12 N4 O12 Pt2 -","2","0.5","AB1374","Yilmaz, V. T.; İçbudak, H.; Howie, R. A.","Bis[tris(2-hydroxyethyl)ammonium] Hexachloroplatinate(IV)","Acta Crystallographica Section C","1997","53","3","294","296","10.1107/S0108270196011341","","","0.71073","MoKα","","","0.029","","","0.024","","","","","2.02","2.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005960","17.75","0.008","18.382","0.01","20.129","0.01","90","","109.31","","90","","6198","5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","hexacopper(II) bis(hexaphenylsiloxanolate) dimethylformamide solvate","bis(hexa-μ-oxo-cis-2,4,6,8,10,12-hexaphenylsiloxan-2,4,6,8,10,12-olato)- hexa(dimethylformamido-O)hexacopper(II) dimethylformamide solvate,","","- C102 H130 Cu6 N10 O34 Si12 -","- C102 H130 Cu6 N10 O34 Si12 -","- C204 H260 Cu12 N20 O68 Si24 -","2","0.5","AB1396","Lindeman, S. V.; Shchegolikhina, O. I.; Molodtsova, Y. A.; Zhdanov, A. A.","Hexakis(dimethylformamide)bis(hexaphenylcyclohexasiloxanehexaolato)hexacopper(II) Dimethylformamide Solvate","Acta Crystallographica Section C","1997","53","3","305","309","10.1107/S0108270196010761","","","0.71073","MoKα","","0.1454","0.0545","","0.1195","0.0963","","","","1.042","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005961","11.7998","0.0012","10.1564","0.0011","19.5352","0.0018","90","","93.41","0.009","90","","2337","0.4","293","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl2 N2 S2 -","- C26 H18 Cl2 N2 S2 -","- C104 H72 Cl8 N8 S8 -","4","1","AB1401","İde, S.; Öztaş, G.; Ancin, N.; Tüzün, M.","<i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)-2,2'-diaminodiphenyl disulfide","Acta Crystallographica Section C","1997","53","3","376","378","10.1107/S0108270196013832","","","0.71073","MoKα","","","0.046","","","0.045","","","","","0.71","0.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005962","8.181","0.003","21.02","0.004","17.402","0.001","90","","90","","90","","2992.5","1.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(1R*,3R*,4S*)-4-Tert-Butyldiphenylsilyloxy-6,7-dimethoxy-1- methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline.","","- C34 H39 N O3 Si -","- C34 H39 N O3 Si -","- C136 H156 N4 O12 Si4 -","4","1","AB1410","Pizarro, J. L.; Arriortua, M. I.; Tellitu, I.; Badía, D.; Domínguez, E.; Ochando, L.; Amigó, J. M.; Debaerdemaeker, T.","(1<i>R</i>*,3<i>R</i>*,4<i>S</i>*)-4-(<i>tert</i>-Butyldiphenylsilyloxy)-6,7-dimethoxy-1-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1997","53","3","355","358","10.1107/S0108270196013376","","","0.71069","MoKα","","0.036","0.0305","","0.0925","0.0829","","","","1.121","1.126","1.126","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005963","10.433","0.004","12.538","0.005","13.27","0.005","84.71","0.03","77.78","0.03","78.42","0.03","1659.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Trans-Diiodobis(triphenylarsine)platinum(II): Correlation of structural cis effect","","- C36 H30 As2 I2 Pt -","- C36 H30 As2 I2 Pt -","- C72 H60 As4 I4 Pt2 -","2","1","AB1414","Otto, S.; Roodt, A.","<i>trans</i>-Diiodobis(triphenylarsine-<i>As</i>)platinum(II)","Acta Crystallographica Section C","1997","53","3","280","282","10.1107/S0108270196013844","","","0.71073","MoKα","","0.0397","0.0397","","0.1143","0.1143","","","","1.085","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005964","8.6903","0.0012","10.3999","0.0014","11.9025","0.0013","68.481","0.001","71.813","0.001","64.844","0.001","890.1","0.2","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H27 N O5 -","- C18 H27 N O5 -","- C36 H54 N2 O10 -","2","1","AB1416","Özbey, S.; Tunouǧlu, N.","Diethyl 3-(1-Morpholinyl)-2,8-cyclooctadiene-1,2-dicarboxylate","Acta Crystallographica Section C","1997","53","3","380","381","10.1107/S0108270196013091","","","0.71073","MoKα","","","0.0401","","","0.0419","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005965","7.767","0.001","7.882","0.001","17.431","0.003","90","","100.93","0.02","90","","1047.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-acetylpyridine thiosemicarbazone hydrochloride","","- C8 H11 Cl N4 S -","- C8 H11 Cl N4 S -","- C32 H44 Cl4 N16 S4 -","4","1","AB1422","Abram, S.; Abram, U.","2-[1-(Thiosemicarbazono)ethyl]pyridinium Chloride","Acta Crystallographica Section C","1997","53","3","360","362","10.1107/S0108270196014114","","","0.71073","MoKα","","0.0714","0.0381","","0.1032","0.0892","","","","1.121","1.156","1.156","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005966","14.861","0.003","3.98","0.005","11.926","0.002","90","","93.21","0.02","90","","704.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-amino-6-fluorobenzothiazole","2-Amino-6-fluorobenzothiazole","","- C7 H5 F N2 S -","- C7 H5 F N2 S -","- C28 H20 F4 N8 S4 -","4","1","BK1164","Jai-nhuknan, J.; Karipides, A. G.; Hughes, J. M.; Cantrell, J. S.","2-Amino-6-fluorobenzothiazole","Acta Crystallographica Section C","1997","53","3","381","383","10.1107/S0108270196014369","","","0.71069","MoKα","","0.0414","0.035","","0.111","0.1053","","","","0.93","0.948","0.948","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005967","7.721","0.004","8.695","0.002","11.347","0.009","83.09","0.04","79.79","0.06","81.38","0.02","737.8","0.7","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C32 H30 N2 O8 S2 -","2","1","BK1261","Kumaradhas, P.; Nirmala, K. A.","(±)-<i>trans</i>-3-Hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-Oxide","Acta Crystallographica Section C","1997","53","3","315","318","10.1107/S0108270196011845","","","1.5418","CuKα","","","0.058","","","0.14","","","","","1.26","1.26","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005968","12.05","0.006","5.612","0.002","23.795","0.004","90","","102.46","0.02","90","","1571.2","1","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","BK1267","Kumaradhas, P.; Nirmala, K. A.","(±)-2-[Hydroxy(4-methoxyphenyl)methyl]-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one Hydrate","Acta Crystallographica Section C","1997","53","3","313","315","10.1107/S0108270196011857","","","0.7093","MoKα","","","0.05","","","0.094","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005969","10.788","0.002","13.754","0.004","19.164","0.005","79.13","0.02","81.39","0.02","69.45","0.02","2604","1.2","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 I O4 Os2 P3 -","- C66 H40 I O4 Os2 P3 -","- C132 H80 I2 O8 Os4 P6 -","2","1","BK1268","Herlinger, A. W.; Rheingold, A. L.","Tetracarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>-μ-diphenylphosphido-<i>P</i>:<i>P</i>-μ-iodo-bis(triphenylphosphine)-1κ<i>P</i>,2κ<i>P</i>-diosmium(<i>Os</i>—<i>Os</i>) Benzene Solvate","Acta Crystallographica Section C","1997","53","3","285","287","10.1107/S0108270196013911","","","0.71073","MoKα","","","0.029","","","0.032","","","","","1","1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005970","14.0117","0.0011","8.0111","0.0005","21.6959","0.0011","90","","99.123","0.005","90","","2404.5","0.3","296","","296","","","","","","","","","4","P 1 2 1","P 2y","3","","N-methyl-3α,7α,12α-Trihydroxy-5β-cholan-24-amide Quarterhydrate","","- C25 H43.5 N O4.25 -","- C25 H43.5 N O4.25 -","- C100 H174 N4 O17 -","4","2","BK1286","Wahle, M. C.; Byrn, S. R.","Hydrated Structures of <i>N</i>-Methylated Cholamide Derivatives","Acta Crystallographica Section C","1997","53","3","334","339","10.1107/S0108270196013145","","","1.54184","CuKα","","0.07","0.044","","0.135","0.11","","","","1.075","1.011","1.011","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005971","16.8089","0.0009","38.7649","0.001","7.887","0.005","90","","90","","90","","5139","3","297","","297","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N-methyl-3α,7α,12α-Trihydroxy-5β-cholan-24-amide Sesquihydrate","","- C25 H46 N O5.5 -","- C25 H46 N O5.5 -","- C200 H368 N8 O44 -","8","2","BK1286","Wahle, M. C.; Byrn, S. R.","Hydrated Structures of <i>N</i>-Methylated Cholamide Derivatives","Acta Crystallographica Section C","1997","53","3","334","339","10.1107/S0108270196013145","","","1.54184","CuKα","","0.165","0.065","","0.237","0.165","","","","1.2","1.224","1.224","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005972","16.565","0.003","39.504","0.004","7.824","0.008","90","","90","","90","","5120","5","297","","297","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N,N-dimethyl-3α,7α,12α-Trihydroxy-5β-cholan-24-amide Hemihydrate","","- C26 H49 N O5.5 -","- C26 H46 N O4.5 -","- C208 H368 N8 O36 -","8","2","BK1286","Wahle, M. C.; Byrn, S. R.","Hydrated Structures of <i>N</i>-Methylated Cholamide Derivatives","Acta Crystallographica Section C","1997","53","3","334","339","10.1107/S0108270196013145","","","1.54184","CuKα","","0.233","0.07","","0.256","0.163","","","","1.057","1.236","1.236","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005973","7.371","0.0007","11.1271","0.0016","19.191","0.0016","90","","99.725","0.008","90","","1551.4","0.3","287","","287","","","","","","","","","3","P 1 21 1","P 2yb","4","","succinyl oleanolic acid","","- C34 H52 O6 -","- C34 H52 O6 -","- C68 H104 O12 -","2","1","BK1288","Yang, J.; Quail, J. W.; Jia, Z.","Succinyl Oleanolic Acid","Acta Crystallographica Section C","1997","53","3","349","351","10.1107/S0108270196013923","","","0.7093","MolybdenumKα","","0.06","0.047","","0.053","0.05","","","","","1.71","1.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005974","7.908","0.001","7.908","0.001","15.15","0.002","90","","90","","90","","947.4","0.2","296","2","296","2","","","","","","","","3","P 41","P 4w","76","(-)-anti-Isoketopinic acid","(-)-2-oxo-1,7-dimethylbicyclo[2.2.1]heptane-7-anti-carboxylic acid","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","BK1292","Lalancette, R. A.; Coté, M. L.; Thompson, H. W.","Hydrogen-Bonding Pattern of a Bicyclic γ-Keto Acid: ({-})-<i>anti</i>-Isoketopinic Acid","Acta Crystallographica Section C","1997","53","3","370","372","10.1107/S0108270196013959","","","0.71073","MoKα","","0.0718","0.051","","0.122","0.1137","","","","0.94","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005975","7.737","0.001","12.249","0.001","12.247","0.001","90","","94.17","0.01","90","","1157.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","BM1068","Elerman, Y.; Kabak, M.","2-(3-Methoxy-2-hydroxyphenyl)benzimidazole","Acta Crystallographica Section C","1997","53","3","372","374","10.1107/S0108270196013972","","","0.71073","MoKα","","0.079","0.058","","0.152","0.145","","","","1.099","1.198","1.198","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005976","12.151","0.001","9.846","0.001","10.642","0.001","90","","107.14","0.04","90","","1216.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29 N O10 -","- C23 H29 N O10 -","- C46 H58 N2 O20 -","2","1","BM1091","Jesús Diánez, M.; Estrada, M. D.; López-Castro, A.; Pérez-Garrido, S.","<i>N</i>-Acetyl-2,3,4,6-tetra-<i>O</i>-acetyl-<i>N</i>-benzyl-β-<small>D</small>-glucopyranosylamine","Acta Crystallographica Section C","1997","53","3","378","379","10.1107/S0108270196014230","","","0.7107","MoKα","","0.0646","0.0485","","0.1568","0.1275","","","","1.094","1.035","1.035","","","","","has coordinates,has disorder","201955","2020-10-21","18:00:00",""
"2005977","8.145","0.004","16.375","0.005","17.274","0.004","90","","92.26","0.03","90","","2302.1","1.4","153","","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O3 S -","- C11 H11 N O3 S -","- C88 H88 N8 O24 S8 -","8","2","BM1104","Barkley, J. V.; Cristiano, M. L. S.; Johnstone, R. A. W.; Loureiro, R. M. S.","3-(<i>E</i>)-But-2-enoxy-1,2-benzisothiazole 1,1-Dioxide: Unusual C—O—C Ether Bond Lengths and Reactivity","Acta Crystallographica Section C","1997","53","3","383","386","10.1107/S0108270196014151","","","0.71073","MoKα","","","0.0569","","","0.0623","","","","","1.81","1.81","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005978","6.8753","0.001","6.8753","0.001","9.419","0.002","90","","90","","90","","445.23","0.13","293","2","293","2","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","Caesium-gadolinium-tetratelluride","","","- Cs Gd Te4 -","- Cs Gd Te4 -","- Cs2 Gd2 Te8 -","2","0.125","BR1154","Bensch, W.; Dürichen, P.","Caesium Gadolinium Tetratelluride","Acta Crystallographica Section C","1997","53","3","267","269","10.1107/S0108270196012309","","","0.71073","MoKα","","0.0372","0.0209","","0.0415","0.038","","","","1.007","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005979","11.715","0.004","5.8","0.002","24.694","0.009","90","","102.1","0.03","90","","1640.6","1","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Lead - dodecabismuth - pentamolybdenum - oxide","","- Bi12 Mo5 O34 Pb -","- Bi12 Mo5 O34 Pb -","- Bi24 Mo10 O68 Pb2 -","2","0.5","BR1164","Enjalbert, R.; Hasselmann, G.; Galy, J.","A New Mixed Oxide with (Bi~12~O~14~)~<i>n~</i> Columns: PbBi~12~Mo~5~O~34~","Acta Crystallographica Section C","1997","53","3","269","272","10.1107/S0108270196013698","","","0.71069","MoKα","","0.0673","0.0643","","0.1675","0.164","","","","0.904","0.9","0.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005980","8.084","0.004","8.389","0.003","10.216","0.003","96.04","0.03","92.73","0.03","115.9","0.04","616.4","0.5","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N4 O3 S -","- C11 H12 N4 O3 S -","- C22 H24 N8 O6 S2 -","2","1","CF1099","Zhang, Q.; Li, S.; Wang, L.; Liu, J.; Huang, X.","2-Amino-5-methyl-10b<i>H</i>-1,3,4-thiadiazolo[3,2-<i>c</i>]quinazolin-6-ium-10b-carboxylate Hydrate","Acta Crystallographica Section C","1997","53","3","325","327","10.1107/S0108270196013935","","","0.71073","MoKα","","","0.038","","","0.05","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005981","13.991","0.001","5.748","0.001","21.569","0.002","90","","90.619","0.008","90","","1734.5","0.4","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 S -","- C21 H17 N3 S -","- C84 H68 N12 S4 -","4","1","CF1106","Jing, L.; He-Liang, F.; Jie, S.; Wei-Xing, C.","3-Anilino-<i>N</i>-phenyl-1<i>H</i>-indole-2-carbothioamide","Acta Crystallographica Section C","1997","53","3","320","322","10.1107/S0108270196012668","","","0.71069","MoKα","","","0.034","","","0.04","","","","","1.38","1.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005982","19.186","0.0006","6.4523","0.0004","20.9867","0.0006","90","0.2","118.69","0.02","90","0.2","2279.1","0.5","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","CF1111","Chatel, F.; Boyer, G.; Galy, J. P.","5-(<i>p</i>-Tolylamino)benzo-1,3-dioxole","Acta Crystallographica Section C","1997","53","3","391","393","10.1107/S010827019601267X","","","0.71073","MoKα","","0.079","0.038","","","0.048","","","","","1.725","1.725","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2005983","9.095","0.003","9.16","0.003","8.189","0.002","101.9","0.02","101.54","0.02","59.34","0.02","570.6","0.3","295","","","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C28 H20 N4 O4 -","2","1","CF1120","Kakehi, A.; Kitajima, K.; Ito, S.; Matsubara, K.","A 2<i>H</i>-Pyrano[3,2-<i>a</i>]indolizine Derivative","Acta Crystallographica Section C","1997","53","3","353","355","10.1107/S0108270196012644","","","0.71069","MoKα","","","0.039","","","0.048","","","","","1.84","1.84","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005984","4.683","0.001","10.482","0.002","22.529","0.005","90","","90","","90","","1105.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-bis(p-fluorophenyl)-triazene","","- C12 H9 F2 N3 -","- C12 H9 F2 N3 -","- C48 H36 F8 N12 -","4","1","CF1138","Anulewicz, R.","1,3-Bis(<i>p</i>-fluorophenyl)triazene","Acta Crystallographica Section C","1997","53","3","345","346","10.1107/S0108270196013881","","","1.54178","CuKα","","0.0667","0.0466","","0.1376","0.1207","","","","1.013","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005985","13.735","0.003","16.082","0.006","14.255","0.004","90","","90","","90","","3148.7","1.6","296","","","","","","","","","","","7","P b c a","-P 2ac 2ab","","","","","- C8 H17 Cl Cu N6 O4 S -","- C7 H17 Cl Cu N7 O8 S -","- C56 H136 Cl8 Cu8 N56 O64 S8 -","8","1","CF1139","Hu, H.-M.; Sun, H.-S.; Chen, X.-H.; Zhao, Q.; Pan, Y.; Huang, X.-Y.; You, X.-Z.","(Diethylenetriamine)(imidazole)(thiocyanato)copper(II) Perchlorate","Acta Crystallographica Section C","1997","53","3","276","278","10.1107/S0108270196013893","","","0.71073","MoKα","","","0.041","","","0.056","","","","","1.77","1.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005986","8.995","0.006","9.748","0.007","14.655","0.011","97.39","0.05","99.85","0.05","113.16","0.03","1136.5","1.5","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","4,4'-Dimethylbipyridine-bis(6-chloro-2-pyridonato)zinc hydrate","","- C22 H20 Cl2 N4 O3 Zn -","- C22 H20 Cl2 N4 O3 Zn -","- C44 H40 Cl4 N8 O6 Zn2 -","2","1","CF1147","Mowat, C. G.; Parsons, S.; Solan, G. A.; Winpenny, R. E. P.","Bis(6-chloro-2-pyridonato-<i>N</i>,<i>O</i>)(4,4'-dimethyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')zinc(II) Hydrate at 150 K","Acta Crystallographica Section C","1997","53","3","282","283","10.1107/S0108270196013868","","","0.71073","MoKα","","0.0691","0.0443","","0.1086","0.0962","","","","1.031","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005987","8.557","0.004","9.064","0.002","10.961","0.003","66.83","0.01","75.36","0.03","62.05","0.02","688","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N,N',N'-Tetrametylethylendiammonium Cyclotetraphosphate Tetrahydrate","","- C12 H44 N4 O16 P4 -","- C12 H44 N4 O16 P4 -","- C12 H44 N4 O16 P4 -","1","0.5","DU1166","Thabet, H.; Jouini, A.; El Hassane, S.","Bis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediammonium) Cyclotetraphosphate Tetrahydrate","Acta Crystallographica Section C","1997","53","3","318","320","10.1107/S0108270196012139","","","0.71069","MoKα","","0.0502","0.0413","","0.1165","0.1048","","","","1.189","1.143","1.143","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005988","12.092","0.004","20.54","0.002","7.772","0.002","90","","90","","90","","1930.3","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(exo-mercapto)-2'-thioxo-(1R, 1R')-3-(exo),3'-(exo)-bibornanyl","","- C20 H32 S2 -","- C20 H32 S2 -","- C80 H128 S8 -","4","1","FG1199","Kwiatkowski, W.; Cameron, T. S.; Salama, P.; Poirier, M.","(1<i>R</i>,1<i>R</i>')-2-<i>exo</i>-Mercapto-2'-thioxo-3-<i>exo</i>,3'-<i>exo</i>-bibornane, 2-Dehydro-2,2'-<i>exo</i>-epidithio-3,3'-bibornane and 2-<i>endo</i>,2'-<i>exo</i>-Epidithio-3,3'-bibornanylidene. Potential Antiviral Agents","Acta Crystallographica Section C","1997","53","3","387","391","10.1107/S0108270196012085","","","1.54178","CuKα","","0.0359","0.0314","","0.084","0.0816","","","","1.026","1.035","1.035","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005989","11.353","0.004","22.289","0.002","7.468","0.001","90","","90","","90","","1889.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-dehydro-2,2'-(exo)-epidithio-3,3'-bibornane","","- C20 H30 S2 -","- C20 H30 S2 -","- C80 H120 S8 -","4","1","FG1199","Kwiatkowski, W.; Cameron, T. S.; Salama, P.; Poirier, M.","(1<i>R</i>,1<i>R</i>')-2-<i>exo</i>-Mercapto-2'-thioxo-3-<i>exo</i>,3'-<i>exo</i>-bibornane, 2-Dehydro-2,2'-<i>exo</i>-epidithio-3,3'-bibornane and 2-<i>endo</i>,2'-<i>exo</i>-Epidithio-3,3'-bibornanylidene. Potential Antiviral Agents","Acta Crystallographica Section C","1997","53","3","387","391","10.1107/S0108270196012085","","","1.54178","CuKα","","0.0323","0.0297","","0.0787","0.0773","","","","1.055","1.061","1.061","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005990","12.335","0.001","21.044","0.002","7.293","0.002","90","","90","","90","","1893.1","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(endo),2'-(exo)-epidithio-3,3'-bibornanylidene","","- C20 H30 S2 -","- C20 H30 S2 -","- C80 H120 S8 -","4","1","FG1199","Kwiatkowski, W.; Cameron, T. S.; Salama, P.; Poirier, M.","(1<i>R</i>,1<i>R</i>')-2-<i>exo</i>-Mercapto-2'-thioxo-3-<i>exo</i>,3'-<i>exo</i>-bibornane, 2-Dehydro-2,2'-<i>exo</i>-epidithio-3,3'-bibornane and 2-<i>endo</i>,2'-<i>exo</i>-Epidithio-3,3'-bibornanylidene. Potential Antiviral Agents","Acta Crystallographica Section C","1997","53","3","387","391","10.1107/S0108270196012085","","","1.54178","CuKα","","0.1127","0.0536","","0.1494","0.1254","","","","1","1.034","1.034","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005991","10.476","0.001","19.543","0.003","20.69","0.003","74.32","0.07","89.44","0.07","81.22","0.06","4028.3","1.8","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","Chlorobis(dimethylphenylphosphine){bis(thiodiphenylphosphino)amido-S,S'}- nitridorhenium(V)","","- C40 H42 Cl N2 P4 Re S2 -","- C40 H42 Cl N2 P4 Re S2 -","- C160 H168 Cl4 N8 P16 Re4 S8 -","4","2","FR1002","Abram, U.; Schulz Lang, E.; Dilworth, J. R.","[Bis(thiodiphenylphosphino-<i>S</i>)amido]chlorobis(dimethylphenylphosphine-<i>P</i>)nitridorhenium(V)","Acta Crystallographica Section C","1997","53","3","289","292","10.1107/S0108270196013790","","","0.71073","MoKα","","0.0812","0.044","","0.1045","0.0846","","","","1.122","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005992","10.32","0.004","17.062","0.008","21.803","0.001","90","","90.28","0.02","90","","3839","2","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","acetonitrile(η^5^-cyclopentadienyl)bis(triphenylphosphine) ruthenium(II) tetrafluoroborate","","- C43 H38 B F4 N P2 Ru -","- C43 H38 B F4 N P2 Ru -","- C172 H152 B4 F16 N4 P8 Ru4 -","4","1","FR1009","Carreón, O. Y.; Leyva, M. A.; Fernández-G., J. M.; Pénicaud, A.","(Acetonitrile-<i>N</i>)(η^5^-cyclopentadienyl)bis(triphenylphosphine-<i>P</i>)ruthenium(II) Tetrafluoroborate","Acta Crystallographica Section C","1997","53","3","301","302","10.1107/S0108270196013674","","","0.71069","MoKα","","","0.0399","","","0.0489","","","","","1.065","1.065","","","","","has coordinates","207077","2020-10-21","18:00:00",""
"2005993","15.096","0.003","15.381","0.003","13.373","0.003","90","","116.431","0.015","90","","2780.5","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","imidazole-4-acetic acid picric acid","","- C11 H9 N5 O9 -","- C11 H9 N5 O9 -","- C88 H72 N40 O72 -","8","1","FR1010","In, Y.; Nagata, H.; Doi, M.; Ishida, T.; Wakahara, A.","Imidazole-4-acetic Acid‒Picric Acid (1/1) Complex","Acta Crystallographica Section C","1997","53","3","367","369","10.1107/S0108270196012899","","","1.5418","CuKα","","0.0634","0.0447","","0.1761","0.1375","","","","0.986","1.002","1.002","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005994","8.472","0.002","7.107","0.002","6.533","0.002","90","","99.84","0.02","90","","387.57","0.19","299","","296.2","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H11 N O S -","- C3 H8.5 N0.5 O0.5 S0.5 -","- C6 H17 N O S -","2","0.5","FR1014","Honda, K.; Tsuchiya, T.","3-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-butenethioamide","Acta Crystallographica Section C","1997","53","3","374","376","10.1107/S0108270196013686","","","0.7107","MoKα","","0","0.053","","0","0.058","","","","0","1.29","1.29","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005995","10.154","0.001","10.923","0.001","16.698","0.002","90","","90","","90","","1852","0.3","295.2","","295.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","HA1168","Rodríguez, A. D.; González, E.; Huang, S. D.","Euniciniatin","Acta Crystallographica Section C","1997","53","3","311","313","10.1107/S010827019601308X","","","0.7107","MoKα","","","0.0585","","","0.0672","","","","","1.584","1.584","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005996","10.952","0.001","19.853","0.002","10.496","0.001","90","","111.45","0.01","90","","2124.1","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-4-(2-(4-hydroxy-3-methoxy phenyl)vinyl) pyridium 4-tolylsulfonate hydrate","","- C22 H25 N O6 S -","- C22 H25 N O6 S -","- C88 H100 N4 O24 S4 -","4","1","HA1173","Zhang, D.-C.; Zhang, T.-Z.; Zhang, Y.-Q.; Fei, Z.-H.; Yu, K.-B.","4'-Hydroxy-3'-methoxy-<i>N</i>-methyl-4-stilbazolium Tosylate Hydrate, C~15~H~16~NO~2~^+^.C~7~H~7~O~3~S^{-^}.H~2~O","Acta Crystallographica Section C","1997","53","3","364","365","10.1107/S010827019601414X","","","0.71073","MoKα","","0.0673","0.0399","","0.1048","0.0975","","","","0.902","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005997","23.024","0.003","13.343","0.003","23.035","0.003","90","","107","0.03","90","","6767","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 O6 Sr -","- C10 H6 O6 Sr -","- C240 H144 O144 Sr24 -","24","6","JZ1136","Paluchowska, B.; Maurin, J. K.; Leciejewicz, J.","Hetero-Ring Oxygen Coordination to Strontium in Strontium Bis(2-furancarboxylate)","Acta Crystallographica Section C","1997","53","3","287","289","10.1107/S0108270196011018","","","0.71073","MoKα","","0.1599","0.0457","","0.1408","0.1162","","","","0.885","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005998","6.2976","0.0007","10.0596","0.0014","12.8122","0.0011","90","","93.316","0.008","90","","810.31","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaqua-bis(pyridine-2-carboxamide-N',O)copper(II) Dichloride","","- C12 H16 Cl2 Cu N4 O4 -","- C12 H16 Cl2 Cu N4 O4 -","- C24 H32 Cl4 Cu2 N8 O8 -","2","0.5","JZ1151","Sieroń, L.; Bukowska-Strżyzewska, M.","<i>trans</i>-Diaquabis(pyridine-2-carboxamide-<i>N</i>^1^,<i>O</i>)copper(II) Dichloride and Dibromide","Acta Crystallographica Section C","1997","53","3","296","298","10.1107/S0108270196013364","","","0.71073","MoKα","","0.0255","0.0234","","0.0666","0.0655","","","","1.102","1.129","1.129","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005999","6.3722","0.0006","10.2962","0.0008","13.1279","0.0014","90","","94.4","0.008","90","","858.78","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaqua-bis(pyridine-2-carboxamide-N',O)copper(II) Dibromide","","- C12 H16 Br2 Cu N4 O4 -","- C12 H16 Br2 Cu N4 O4 -","- C24 H32 Br4 Cu2 N8 O8 -","2","0.5","JZ1151","Sieroń, L.; Bukowska-Strżyzewska, M.","<i>trans</i>-Diaquabis(pyridine-2-carboxamide-<i>N</i>^1^,<i>O</i>)copper(II) Dichloride and Dibromide","Acta Crystallographica Section C","1997","53","3","296","298","10.1107/S0108270196013364","","","0.71073","MoKα","","0.0334","0.0286","","0.0767","0.0746","","","","1.097","1.138","1.138","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006000","9.543","0.004","10.176","0.002","11.34","0.003","84.56","0.02","113.62","0.03","114.04","0.02","918.4","0.6","296","","296","","","","","","","","","4","P -1","-P 1","2","","1,4-bis(trimethylindium)-1,4-dibenzylpiperazine","","- C36 H52 In2 N2 -","- C36 H52 In2 N2 -","- C36 H52 In2 N2 -","1","0.5","KH1102","Ma, X.; Pan, Y.; Wu, L.; Huang, X.; Sun, H.; Zhu, C.","[μ-(1,4-Dibenzylpiperazine)-<i>N</i>:<i>N</i>']bis(trimethylindium) Dibenzene Solvate","Acta Crystallographica Section C","1997","53","3","278","279","10.1107/S0108270196013169","","","0.71073","MoKα","","","0.052","","","0.063","","","","","1.94","1.94","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2006001","10.471","0.003","14.347","0.002","13.29","0.003","90","","111.65","0.02","90","","1855.7","0.8","296","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cu N3 O5 -","- C20 H17 Cu N3 O5 -","- C80 H68 Cu4 N12 O20 -","4","1","KH1108","Zhang, L.; Xu, D.; Xu, Y.; Gu, J.","(Benzoylacetonato-<i>O</i>,<i>O</i>')(2,2'-bipyridine-<i>N</i>,<i>N</i>')(nitrato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1997","53","3","299","301","10.1107/S0108270196012358","","","0.71073","MoKα","","","0.043","","","0.049","","","","","1.23","1.23","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006002","7.921","0.013","11.786","0.026","14.714","0.01","90","","90","","90","","1374","4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","1,4 butane diammonium malonate","","- C10 H20 N2 O8 -","- C10 H20 N2 O8 -","- C40 H80 N8 O32 -","4","0.5","KH1123","Babu, A. M.; Weakley, T. J. R.; Murthy, M. R. N.","Extended Conformation of Putrescine Occurring on a Center of Symmetry in its 1:2 Complex with Malonic Acid","Acta Crystallographica Section C","1997","53","3","365","367","10.1107/S010827019601342X","","","0.71073","MoKα","","0.0453","0.0445","","0.1199","0.1185","","","","0.556","0.561","0.561","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006003","10.9126","0.0005","11.5192","0.0006","14.182","0.001","94.715","0.005","97.083","0.005","96.918","0.004","1747.71","0.18","298","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(N,N-dimethyldithiocarbamyl)acetato(quinolinolato)triphenyltin","","- C35 H35 N3 O3 S4 Sn -","- C35 H35 N3 O3 S4 Sn -","- C70 H70 N6 O6 S8 Sn2 -","2","1","KH1133","Ng, S. W.","[Bis(<i>N</i>,<i>N</i>-dimethylthiocarbamoylthio)acetato-<i>O</i>]triphenyl(quinoline <i>N</i>-oxide-<i>O</i>)tin","Acta Crystallographica Section C","1997","53","3","274","276","10.1107/S0108270196013704","","","0.71073","MoKα","","0.06","0.053","","0.154","0.1467","","","","1.031","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006004","10.035","0.004","11.09","0.008","12.325","0.004","65.28","0.09","70.5","0.03","70.37","0.05","1143.2","1.3","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","Tetra-p-chlorophenyltin","","- C24 H16 Cl4 Sn -","- C24 H16 Cl4 Sn -","- C48 H32 Cl8 Sn2 -","2","1","KH1137","Ng, S. W.","Tetra(<i>p</i>-chlorophenyl)tin","Acta Crystallographica Section C","1997","53","3","273","274","10.1107/S0108270196013716","","","0.71073","MoKα","","0.0361","0.0288","","0.0787","0.0708","","","","1.068","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006005","10.005","0.003","17.535","0.003","16.509","0.002","90","","90","","90","","2896.3","1.1","293","","293","","","","","","","","","3","P b c a","","","","2,2-dimethyl-2,3-dihydro-1H-2-silacyclopent[l]phenanthrene","","- C18 H18 Si -","- C18 H18 Si -","- C144 H144 Si8 -","8","1","MU1274","Wagner, T.; Marx, H.-W.; Moss, S.","2,2-Dimethyl-2,3-dihydro-1<i>H</i>-2-silacyclopenta[<i>l</i>]phenanthrene","Acta Crystallographica Section C","1997","53","3","344","345","10.1107/S0108270196013315","","","1.54184","CuKα","","","0.04","","","0.059","","","","","2.203","2.203","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006006","6.283","0.001","26.437","0.002","8.1851","0.0009","90","","96.54","0.01","90","","1350.7","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(p-methoxyphenyl)telluride","","- C14 H14 O2 Te -","- C14 H14 O2 Te -","- C56 H56 O8 Te4 -","4","1","MU1290","Farran, J.; Alvarez-Larena, A.; Piniella, J. F.; Capparelli, M. V.; Torres-Castellanos, L.","Bis(<i>p</i>-methoxyphenyl) Telluride","Acta Crystallographica Section C","1997","53","3","342","343","10.1107/S0108270196013194","","","0.71069","MoKα","","0.0359","0.025","","0.0688","0.0659","","","","1.084","1.158","1.158","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006007","9.573","0.004","20.857","0.006","20.467","0.007","90","","95.86","0.03","90","","4065","2","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H66 N2 Ni O8 P2 -","- C36 H66 N2 Ni O8 P2 -","- C144 H264 N8 Ni4 O32 P8 -","4","1","MU1297","Kennedy, A. R.; Sloss, S. W.; Spicer, M. D.","<i>cis</i>-Di(nitrato-<i>O</i>,<i>O</i>')bis(tricyclohexylphosphine oxide-<i>O</i>)nickel(II)","Acta Crystallographica Section C","1997","53","3","292","293","10.1107/S0108270196014229","","","0.71069","MoKα","","0.1309","0.0416","","0.0567","0.0463","","","","","1.452","1.452","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006008","17.812","0.002","8.2826","0.0011","19.064","0.004","90","","99.878","0.014","90","","2770.8","0.8","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","meso-1.11-dimethylcyclotrideca-2.9-diyne-1.11-diol","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","1","NA1269","Boss, C.; Stoeckli-Evans, H.; Keese, R.","<i>meso</i>-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol","Acta Crystallographica Section C","1997","53","3","322","325","10.1107/S0108270196013789","","","0.71073","MoKα","","0.1315","0.0739","","0.1908","0.1482","","","","1.109","1.182","1.182","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006009","17.779","0.002","8.238","0.001","18.881","0.003","90","","99.92","0.01","90","","2724","0.6","193","2","193","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","meso-1.11-dimethylcyclotrideca-2.9-diyne-1.11-diol","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","1","NA1269","Boss, C.; Stoeckli-Evans, H.; Keese, R.","<i>meso</i>-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol","Acta Crystallographica Section C","1997","53","3","322","325","10.1107/S0108270196013789","","","0.71073","MoKα","","0.127","0.0723","","0.1997","0.1467","","","","1.159","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006010","8.1524","0.0008","9.3328","0.0004","11.4597","0.0006","66.924","0.004","78.185","0.006","83.396","0.005","784.56","0.1","293","","","","","","","","","","","5","P -1","-P 1","2","","N-bezenesulfonyl-3-methylbenz[f]indole","","- C19 H15 N O2 S -","- C19 H15 N O2 S -","- C38 H30 N2 O4 S2 -","2","1","NA1271","Yokum, T. S.; Fronczek, F. R.","<i>N</i>-Phenylsulfonyl-3-methylbenz[<i>f</i>]indole","Acta Crystallographica Section C","1997","53","3","362","363","10.1107/S0108270196014187","","","1.54184","CuKα","","","0.037","","","0.056","","","","","1.572","1.572","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006011","9.269","0.002","6.459","0.002","13.989","0.002","90","","106.43","0.02","90","","803.3","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3α,4α-epoxy-5α-androstan-17-one","","- C19 H28 O2 -","- C19 H28 O2 -","- C38 H56 O4 -","2","1","NA1273","Paixão, J. A.; Ramos Silva, M.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3α,4α-Epoxy-5α-androstan-17-one","Acta Crystallographica Section C","1997","53","3","347","349","10.1107/S0108270196014394","","","0.7093","MoKα","","0.0576","0.0348","","0.1036","0.0891","","","","1.004","1","1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006012","13.636","0.002","12.597","0.002","13.794","0.001","90","","97.875","0.009","90","","2347.1","0.5","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","fluorescein sodium","sodium 2-(3-oxo-sodioxy-3H-xanthen-9-yl)benzoate","","- C20 H26 Na2 O13 -","- C20 H26 Na2 O13 -","- C80 H104 Na8 O52 -","4","1","OA1007","Yamaguchi, K.; Tamura, Z.; Maeda, M.","Disodium Fluorescein Octahydrate","Acta Crystallographica Section C","1997","53","3","284","285","10.1107/S0108270196010487","","","1.5418","CuKα","","","0.0637","","","0.0777","","","","","2.114","2.114","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2006013","8.137","0.002","12.363","0.002","10.537","0.002","90","0.02","98.77","0.02","90","0.02","1047.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl O6 Si -","- C20 H23 Cl O6 Si -","- C40 H46 Cl2 O12 Si2 -","2","1","OA1012","White, J. M.; Riches, A. G.; Cameron, D. W.; Griffiths, P. G.","(1α,4aβ,9aβ)-4a-Acetoxy-9a-chloro-1-methoxy-3-trimethylsiloxy-1,4,4a,9,9a,10-hexahydroanthracene-9,10-dione","Acta Crystallographica Section C","1997","53","3","386","387","10.1107/S0108270196013595","","","1.5418","CuKα(Nifiltered)","","0.0438","0.0397","","0.1046","0.0977","","","","1.235","1.196","1.196","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006014","11.813","0.002","6.41","0.002","30.552","0.004","90","","91.58","0.01","90","","2312.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Substituted βeta\-lactam","N-(1'-thiophenyl)benzyl-3-phenyl-4-phenoxy-azetidine-2-one","","- C28 H23 N O2 S -","- C28 H23 N O2 S -","- C112 H92 N4 O8 S4 -","4","1","PA1239","Srirajan, V.; Bhawal, B. M.; Puranik, V. G.","Novel Protective Group in β-Lactam Chemistry: 3-Phenoxy-4-phenyl-<i>N</i>-[α-(phenylthio)benzyl]azetidin-2-one","Acta Crystallographica Section C","1997","53","3","358","360","10.1107/S0108270196011973","","","0.7093","MoKα","","0.0971","0.0677","","0.2597","0.1983","","","","1.127","1.039","1.039","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006015","11.049","0.006","17.638","0.003","15.894","0.002","90","","91.12","0.02","90","","3096.9","1.8","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H15 O10 Os3 P -","- C29 H15 O10 Os3 P -","- C116 H60 O40 Os12 P4 -","4","1","SK1030","Capparelli, M. V.; De Sanctis, Y.; Arce, A. J.; Spodine, E.","Nonacarbonyl[μ~3~-(1,2-diphenylethyl)phenylphosphinito]triosmium(2 <i>Os</i>—<i>Os</i>)","Acta Crystallographica Section C","1997","53","3","302","305","10.1107/S0108270196008219","","","0.71069","MoKα","","","0.0454","","","0.0552","","","","","3.2","3.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006016","20.7727","0.0002","20.7727","0.0002","36.6751","0.0001","90","","90","","90","","15825.5","0.2","150","","150","","","","","","","","","3","I 41/a :2","-I 4ad","88","","[Bis-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)]-phenyl-methane","","- C23 H28 O4 -","- C23 H28 O4 -","- C736 H896 O128 -","32","2","SK1062","Bolte, M.; Degen, A.; Rühl, S.","Twinned Crystal Structure of Bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)phenylmethane at 150K","Acta Crystallographica Section C","1997","53","3","340","342","10.1107/S0108270196013078","","","0.71073","MoKα","","0.0441","0.0392","","0.0855","0.0825","","","","1.18","1.178","1.178","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006017","15.279","0.004","9.812","0.003","18.178","0.004","90","","111.96","0.02","90","","2527.5","1.2","297","","24","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 N4 O5 S -","- C24 H34 N4 O5 S -","- C96 H136 N16 O20 S4 -","4","1","TA1073","Iwata, M.; Nagase, H.; Endo, T.; Ueda, H.","Glimepiride","Acta Crystallographica Section C","1997","53","3","329","331","10.1107/S0108270196002363","","","1.5418","CuKα","","","0.046","","","0.077","","","","","2.43","2.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006018","5.352","0.002","15.186","0.002","12.013","0.001","90","","95.87","0.02","90","","971.2","0.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-carbamoylmethyl-pyridinium perchlorate","","- C7 H9 Cl N2 O5 -","- C7 H9 Cl N2 O5 -","- C28 H36 Cl4 N8 O20 -","4","1","TA1092","Sakai, K.; Ikuta, Y.; Shiomi, M.; Tamane, T.; Tomita, Y.; Tsubomura, T.; Nemoto, N.","<i>N</i>-(Carbamoylmethyl)pyridinium Perchlorate and <i>N</i>-(Carbamoylmethyl)-<i>N</i>'-methyl-4,4'-bipyridinium Diperchlorate Hydrate","Acta Crystallographica Section C","1997","53","3","331","334","10.1107/S010827019601311X","","","1.54178","CuKα","","","0.0559","","","0.0766","","","","","2.9","2.9","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006019","11.528","0.003","8.643","0.003","19.141","0.002","90","","106.56","0.01","90","","1828","0.8","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-carbamoylmethyl-N'-methyl-4,4'-bipyridinium bis(perchlorate) hydrate","","- C13 H17 Cl2 N3 O10 -","- C13 H17 Cl2 N3 O10 -","- C52 H68 Cl8 N12 O40 -","4","1","TA1092","Sakai, K.; Ikuta, Y.; Shiomi, M.; Tamane, T.; Tomita, Y.; Tsubomura, T.; Nemoto, N.","<i>N</i>-(Carbamoylmethyl)pyridinium Perchlorate and <i>N</i>-(Carbamoylmethyl)-<i>N</i>'-methyl-4,4'-bipyridinium Diperchlorate Hydrate","Acta Crystallographica Section C","1997","53","3","331","334","10.1107/S010827019601311X","","","1.54178","CuKα","","","0.0569","","","0.0624","","","","","2.89","2.89","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2006020","9.447","0.001","10.037","0.002","17.04","0.002","90","","100.21","0.01","90","","1590.1","0.4","296.2","","296.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H42 O6 -","- C37 H42 O6 -","- C74 H84 O12 -","2","1","TA1108","Nishikawa, K.; Matsumoto, A.; Tsukada, H.; Shiro, M.; Toda, F.","Inclusion Complex of (<i>S</i>)-1,3-Butanediol with (<i>S</i>,<i>S</i>)-(+)-<i>trans</i>-2,3-Bis(hydroxydiphenylmethyl)-1,4-dioxaspiro[4.4]nonane","Acta Crystallographica Section C","1997","53","3","351","353","10.1107/S0108270196014175","","","1.5418","CuKα","","","0.0432","","","0.0553","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006021","13.081","0.002","13.473","0.002","17.148","0.003","90","","93.73","0.01","90","","3015.8","0.8","295.2","","295.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Cl4 N4 O5 S2 -","- C30 H18 Cl4 N4 O5 S2 -","- C120 H72 Cl16 N16 O20 S8 -","4","1","TA1116","Cox, O.; Cordero, M.; Piñeiro, S.; Huang, S. D.","Bis[(<i>E</i>)-2-(2,4-dichloro-5-nitrostyryl)-1,3-benzothiazole] Hydrate","Acta Crystallographica Section C","1997","53","3","310","311","10.1107/S0108270196013352","","","0.7107","MoKα","","","0.0706","","","0.0936","","","","","2.161","2.161","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006022","9.977","0.004","5.757","0.004","16.047","0.003","90","","96.26","0.02","90","","916.2","0.8","296","1","296","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H26 N2 O5 -","- C17 H26 N2 O5 -","- C34 H52 N4 O10 -","2","1","TA1117","Burkett, B. A.; Chai, C. L. L.; Hockless, D. C. R.","1-Acetyl-4-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-3-menthyloxycarbonyl]piperazine-2,5-dione","Acta Crystallographica Section C","1997","53","3","327","329","10.1107/S0108270196013753","","","1.5418","CuKα","","0.0983","0.0983","","0.0448","0.0448","","","","1.989","1.989","1.989","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006023","13.683","0.003","5.317","0.001","13.717","0.003","90","","119.67","0.03","90","","867.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","sodium manganese fluoride phosphate","","- F Mn Na2 O4 P -","- F Mn Na2 O4 P -","- F8 Mn8 Na16 O32 P8 -","8","2","AB1400","Yakubovich, O. V.; Karimova, O. V.; Mel'nikov, O. K.","The Mixed Anionic Framework in the Structure of Na~2~{MnF[PO~4~]}","Acta Crystallographica Section C","1997","53","4","395","397","10.1107/S0108270196014102","","","0.71069","MoKα","","0.037","0.0367","","0.0974","0.0972","","","","1.292","1.293","1.293","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006024","23.986","0.003","14.076","0.002","10.493","0.002","90","","90","","90","","3542.7","1","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C160 H200 N24 O16 -","8","1","AB1419","Tahir, M. N.; Ülkü, D.; Demir, A. S.; Mohammadi, M.; Özgül, E.","13-Phenyl-11,13,15-triazatricyclo[8.5.2.0^11,15^]heptadec-16-ene-12,14-dione","Acta Crystallographica Section C","1997","53","4","496","498","10.1107/S0108270196015284","","","0.71069","MoKα","","","0.052","","","0.056","","","","","0.86","0.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006025","7.435","0.002","18.709","0.003","7.5618","0.0013","90","","113.078","0.014","90","","967.7","0.4","294","","294","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","bis(3-methyladenine)dichlorodimethyltin(IV)","","- C14 H20 Cl2 N10 Sn -","- C14 H20 Cl2 N10 Sn -","- C28 H40 Cl4 N20 Sn2 -","2","0.5","AB1424","Hazell, A.; Ouyang, J.; Khoo, L. E.","Dichlorodimethylbis(3-methyladenine-<i>N</i>^7^)tin(IV)","Acta Crystallographica Section C","1997","53","4","406","408","10.1107/S0108270196015132","","","0.71073","MoKα","","","0.043","","","0.054","","","","","1.81","1.81","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006026","10.3121","0.0012","13.9765","0.0012","14.973","0.002","101.622","0.008","104.206","0.01","99.248","0.008","1998.3","0.4","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","11,17-Di-tert-butyl-25,26,27,28-tetrahydroxy-2,5,23-trimethyl-14-(4-nitro- phenyl)calix[4]arene Hemichloroform Solvate","","- C45.5 H49.5 Cl1.5 N O6 -","- C45.5 H49.5 Cl1.5 N O6 -","- C91 H99 Cl3 N2 O12 -","2","1","AB1430","Böhmer, V.; Ferguson, G.; Grüttner, C.; Vogt, W.","Intra- and Intermolecular Hydrogen Bonding in a Tetrahydroxycalix[4]arene","Acta Crystallographica Section C","1997","53","4","469","472","10.1107/S0108270196015508","","","0.7107","MolybdenumKα","","0.2328","0.0536","","0.1803","0.1323","","","","0.847","1.256","1.256","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006027","6.641","0.001","10.005","0.002","10.114","0.003","84.42","0.02","73.52","0.01","78.45","0.01","630.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl3 Mn N2 O -","- C10 H10 Cl3 Mn N2 O -","- C20 H20 Cl6 Mn2 N4 O2 -","2","1","AV1000","Tesouro, A.; Corbella, M.; Stoeckli-Evans, H.","Aqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')trichloromanganese(III)","Acta Crystallographica Section C","1997","53","4","430","432","10.1107/S0108270196014333","","","0.71073","MoKα","","0.1022","0.0691","","0.2508","0.192","","","","1.027","1.145","1.145","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006028","11.799","0.002","25.195","0.004","9.009","0.002","90","0.01","90","0.02","90","0.01","2678.2","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N,N'-bispentafluorophenylurea","N,N'-bispentafluorophenylurea","","- C13 H2 F10 N2 O -","- C13 H2 F10 N2 O -","- C104 H16 F80 N16 O8 -","8","1","BK1165","Jai-nhuknan, J.; Karipides, A. G.; Hughes, J. M.; Cantrell, J. S.","<i>N</i>,<i>N</i>'-Bis(pentafluorophenyl)urea","Acta Crystallographica Section C","1997","53","4","455","457","10.1107/S010827019601428X","","","0.71069","MoKα","","0.087","0.049","","0.107","0.0951","","","","1.021","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006029","7.279","0.001","8.455","0.002","11.408","0.002","67.73","0.01","85.15","0.01","84.51","0.02","645.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","adeninium-2-fluorobenzoatemonohydrate","2-aminopurinium-2-fluorobenzoatemonohydrate","","- C12 H12 F N5 O3 -","- C12 H12 F N5 O3 -","- C24 H24 F2 N10 O6 -","2","1","BK1179","Jai-nhuknan, J.; Karipides, A. G.; Cantrell, J. S.","1-Adeninium 2-Fluorobenzoate Monohydrate","Acta Crystallographica Section C","1997","53","4","454","455","10.1107/S0108270196014825","","","0.71069","MoKα","","0.0554","0.045","","0.124","0.1161","","","","1.05","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006030","9.639","0.002","16.346","0.002","24.1086","0.0014","90","","90.563","0.009","90","","3798.3","0.9","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 B8 Cl Ir P2 -","- C8 H18 B8 Cl Ir P2 -","- C64 H144 B64 Cl8 Ir8 P16 -","8","2","BK1240","Bould, J.; Rath, N. P.; Barton, L.","The <i>isonido</i>-Metalladicarbaborane [1,1,1-H{P(CH~3~)~3~}~2~-6-Cl-1,2,4-IrC~2~B~8~H~9~]","Acta Crystallographica Section C","1997","53","4","416","419","10.1107/S0108270196014199","","","0.71073","MoKα","","0.1329","0.062","","0.137","0.1102","","","","1.024","1.112","1.112","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006031","9.3531","0.0001","11.264","0.0002","14.1166","0.0002","96.705","0.001","93.814","0.001","111.296","0.001","1366.63","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H38 Cl N3 Si2 W -","- C23 H38 Cl N3 Si2 W -","- C46 H76 Cl2 N6 Si4 W2 -","2","1","BK1269","Wang, S.-Y. S.; Boncella, J. M.; Abboud, K. A.","A Chelate-Stabilized Tungsten‒Imido‒Monoalkyl Complex, [WCl(PhN)(CH~2~CMe~3~){<i>o</i>-C~6~H~4~(NSiMe~3~)~2~}]","Acta Crystallographica Section C","1997","53","4","436","438","10.1107/S0108270196014370","","","0.71073","MoKα","","0.0376","0.034","","0.091","0.085","","","","1.08","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006032","12.0128","0.001","12.0128","0.001","35.16","0.003","90","","90","","120","","4394.1","0.6","163","2","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Tetraethylammonium Bromide","EthanaminiumN,N,N-triethyl Bromide","","- C8 H20 Br N -","- C8 H20 Br N -","- C144 H360 Br18 N18 -","18","0.5","BK1293","Ralle, M.; Bryan, J. C.; Habenschuss, A.; Wunderlich, B.","Low-Temperature Phase of Tetraethylammonium Bromide","Acta Crystallographica Section C","1997","53","4","488","490","10.1107/S0108270196015399","","","0.71073","MoKα","","0.054","0.026","","0.071","0.061","","","","1.06","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006033","12.995","0.001","12.995","","7.143","0.001","90","","90","","90","","1206.24","0.19","170","","170","","","","","","","","","5","I -4","I -4","82","","","","- C24 H21 P S4 W -","- C24 H24 P S4 W -","- C48 H48 P2 S8 W2 -","2","0.25","BK1296","Parvez, M.; Boorman, P. M.; Wang, M.","Tetraphenylphosphonium (Hydrogensulfido-<i>S</i>)trisulfidotungstate(VI)","Acta Crystallographica Section C","1997","53","4","413","414","10.1107/S0108270196015405","","","0.71069","MoKα","","","0.024","","","0.023","","","","","1.4","1.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006034","14.0082","0.0008","10.803","0.001","14.581","0.001","90","","116.625","0.008","90","","1972.6","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[1-methyl-3-(2-propenyl)-2(3H)-imidazolethione]dichlorozinc(II)","","- C14 H20 Cl2 N4 S2 Zn -","- C14 H20 Cl2 N4 S2 Zn -","- C56 H80 Cl8 N16 S8 Zn4 -","4","1","BK1301","Williams, D. J.; Ly, T. A.; Mudge, J. W.; Pennington, W. T.; Schimek, G. L.","Dichlorobis[1-methyl-3-(prop-2-enyl)imidazole-2(3<i>H</i>)-thione-<i>S</i>]zinc(II)","Acta Crystallographica Section C","1997","53","4","415","416","10.1107/S0108270196013984","","","0.71073","MoKα","","0.0626","0.043","","0.0431","0.044","","","","","1.85","1.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006035","10.3344","0.0007","10.8162","0.0007","11.362","0.0007","90","","108.73","0.006","90","","1202.77","0.14","296","","296","","","","","","","","","4","P 1 21 1","","","","3α,7α,12α-Trihydroxy-5β-cholan-24-amide Dihydrate","","- C24 H45 N O6 -","- C24 H45 N O6 -","- C48 H90 N2 O12 -","2","1","BK1304","Wahle, M. C.; Fanwick, P. E.; Byrn, S. R.","Cholamide Dihydrate","Acta Crystallographica Section C","1997","53","4","480","482","10.1107/S0108270196014382","","","1.54184","CuKα","","0.054","0.042","","0.13","0.114","","","","1.062","1.02","1.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006036","20.52","0.004","10.835","0.002","12.333","0.002","90","","123.73","0.03","90","","2280.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorobis(4-methylpiperidine)(4-methylpyridine)nickel(II)","","- C18 H33 Cl2 N3 Ni -","- C18 H33 Cl2 N3 Ni -","- C72 H132 Cl8 N12 Ni4 -","4","0.5","BM1072","Koman, M.; Jóna, E.; Kopál, I.","Structural Investigation of Ni^II^ Complexes. XI. Dichlorobis(4-methylpiperidine-<i>N</i>)(4-methylpyridine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1997","53","4","443","445","10.1107/S010827019601284X","","","0.71073","MoKα","","0.0389","0.0373","","0.1022","0.0916","","","","1.106","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006037","8.814","0.006","9.992","0.009","19.774","0.018","90","","91.6","0.07","90","","1741","3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","meso-1,1'-diphenyl-2,2,2',2'-tetrachlorobicyclopropyl","","- C18 H14 Cl4 -","- C18 H14 Cl4 -","- C72 H56 Cl16 -","4","1","BM1102","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","<i>meso</i>-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and <i>meso</i>-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl","Acta Crystallographica Section C","1997","53","4","499","504","10.1107/S0108270196015090","","","0.71073","MoKα","","0.0635","0.0489","","0.0711","0.0653","","","","1.09","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006038","14.119","0.005","11.617","0.004","41.81","0.03","90","","90","","90","","6858","6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Meso-1,1'-diphenyl-2,2,2',2'-tetrachlorobicyclopropyl","","- C18 H14 Cl4 -","- C18 H14 Cl4 -","- C288 H224 Cl64 -","16","2","BM1102","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","<i>meso</i>-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and <i>meso</i>-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl","Acta Crystallographica Section C","1997","53","4","499","504","10.1107/S0108270196015090","","","0.71073","MoKα","","0.0849","0.0464","","0.0421","0.0361","","","","1.06","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006039","8.432","0.002","9.586","0.002","11.187","0.002","87.19","0.02","85.51","0.02","78.87","0.02","884","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Meso-1,1'-diphenyl-2,2,2',2'-tetrabromobicyclopropyl","","- C18 H14 Br4 -","- C18 H14 Br4 -","- C36 H28 Br8 -","2","1","BM1102","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","<i>meso</i>-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and <i>meso</i>-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl","Acta Crystallographica Section C","1997","53","4","499","504","10.1107/S0108270196015090","","","0.71073","MoKα","","0.0581","0.0421","","0.0645","0.0547","","","","0.92","0.77","0.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006040","7.4918","0.0007","11.3118","0.0013","24.245","0.003","90","","90","","90","","2054.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3aS,6R,7R,7aR)-Menthyl 1,6,7,7a-tetrahydro-3,3-dimethyl-1-oxo-3a,6- epoxyisobenzofuran-7-carboxylate","","- C21 H30 O5 -","- C21 H30 O5 -","- C84 H120 O20 -","4","1","BM1116","Breu, J.; Butz, T.; Range, K.-J.; Sauer, J.","Configurations of Cycloadducts Formed in Asymmetric Intramolecular Diels‒Alder Reactions","Acta Crystallographica Section C","1997","53","4","515","517","10.1107/S010827019601579X","","","0.71069","MoKα","","0.0504","0.0367","","0.0875","0.0821","","","","1.016","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006041","7.73","0.001","9.4267","0.001","9.9854","0.001","79.235","0.008","88.902","0.01","75.125","0.009","690.54","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(3S,3aS,6R,7R,7aR)-Menthyl-1,6,7,7a-tetrahydro-3-(1,1-dimethylethyl)-1-oxo- 3H-3a,6-epoxyisobenzofuran-7-carboxylate","","- C14 H18 O5 -","- C14 H18 O5 -","- C28 H36 O10 -","2","1","BM1116","Breu, J.; Butz, T.; Range, K.-J.; Sauer, J.","Configurations of Cycloadducts Formed in Asymmetric Intramolecular Diels‒Alder Reactions","Acta Crystallographica Section C","1997","53","4","515","517","10.1107/S010827019601579X","","","0.71069","MoKα","","0.0478","0.0402","","0.1175","0.113","","","","1.055","1.123","1.123","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006042","12.928","0.005","5.546","0.005","16.445","0.005","90","","92.392","0.005","90","","1178.1","1.2","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-Methylamino-5-chlorobenzophenone","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","BM1125","Cox, P. J.; Anisuzzaman, A. T. Md.; Skellern, G. G.; Pryce-Jones, R. H.; Florence, A. J.; Shankland, N.","2-Methylamino-5-chlorobenzophenone","Acta Crystallographica Section C","1997","53","4","476","477","10.1107/S0108270196014928","","","0.71069","MoKα","","0.0569","0.033","","0.0708","0.064","","","","0.736","0.881","0.881","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006043","12.533","0.003","7.262","0.001","11.259","0.003","90","","111.3","0.02","90","","954.7","0.4","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge12 O36 Sr12 -","12","1.5","BR1159","Nishi, F.","Strontium Metagermanate, SrGeO~3~","Acta Crystallographica Section C","1997","53","4","399","401","10.1107/S0108270196013960","","","0.71073","MoKα","","","0.048","","","0.033","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006044","7.238","0.001","22.149","0.003","11.244","0.001","90","","90","","90","","1802.6","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","trans-bisaquabis(1,1,1,5,5,5-hexafluoroacetylacetonato)manganese(II) monohydrate","","- C10 H8 F12 Mn O7 -","- C10 H8 F12 Mn O7 -","- C40 H32 F48 Mn4 O28 -","4","0.5","BS1010","Dickman, M. H.","<i>trans</i>-Diaquabis(hexafluoroacetylacetonato-<i>O</i>,<i>O</i>')manganese(II) Monohydrate","Acta Crystallographica Section C","1997","53","4","402","404","10.1107/S010827019601459X","","","0.71073","MoKα","","0.0707","0.0455","","0.1165","0.104","","","","1.075","1.141","1.141","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006045","12.815","0.009","14.798","0.012","15.584","0.014","82.648","0.01","77.869","0.01","67.661","0.01","2669","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5,11,17,23-Tetra-tert-butyl-25,27-bis((diethylthiocarbamoyl)- methoxy)-26,28-dihydroxycalix[4]arene","","- C56 H78 N2 O4 S2 -","- C56 H76 N2 O4 S2 -","- C112 H152 N4 O8 S4 -","2","1","CF1144","Drew, M. G. B.; Beer, P. D.; Ogden, M. I.","A Calix[4]arene with Diethylthiocarbamoylmethyloxy Substituents in the 1,3 Positions","Acta Crystallographica Section C","1997","53","4","472","474","10.1107/S0108270196015521","","","0.71073","MoKα","","0.1193","0.0831","","0.2928","0.244","","","","0.615","0.602","0.602","","","","","has coordinates,has disorder","201201","2020-10-21","18:00:00",""
"2006046","10.613","0.002","15.402","0.003","12.928","0.004","90","","93.35","0.03","90","","2109.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cu N4 O8 -","- C18 H26 Cu N4 O8 -","- C72 H104 Cu4 N16 O32 -","4","0.5","DE1043","Suresh, E.; Bhadbhade, M. M.","Metal‒α,ω-Dicarboxylate Complexes. II. <i>catena</i>-Poly[bis(imidazole-<i>N</i>^3^)copper(II)-di-μ-adipato(1 ‒)-<i>O</i>^1^:<i>O</i>^6^;<i>O</i>^6^:<i>O</i>^1^]","Acta Crystallographica Section C","1997","53","4","422","425","10.1107/S0108270196014138","","","0.7107","MoKα","","0.0354","0.0291","","0.0768","0.0747","","","","1.081","1.136","1.136","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006047","13.613","0.001","21.448","0.003","9.1157","0.0008","90","","103.561","0.007","90","","2587.3","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[2,4-(3H,10H)-dioxo-10-(4-tert-butylphenyl)pyrimido[4,5-b]quinolin-3-yl]- benzoic acid","","- C29 H27 N3 O5 -","- C29 H27 N3 O5 -","- C116 H108 N12 O20 -","4","1","DE1045","Kawai, Y.; Kunitomo, J.; Ohno, A.","A Novel Function of an Atropisomeric Flavin Model as a Host Compound","Acta Crystallographica Section C","1997","53","4","513","515","10.1107/S0108270197000255","","","1.5418","CuKα","","0.0516","0.0414","","0.0817","0.0682","","","","1.389","1.786","1.786","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006048","10.825","0.003","10.825","0.003","10.184","0.006","90","","90","","90","","1193.4","0.8","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Cerium Sodium Diarsenate","","- As4 Ce Na4 O14 -","- As4 Ce Na4 O14 -","- As16 Ce4 Na16 O56 -","4","0.25","DU1161","Belam, W.; Boughzala, H.; Jouini, T.","Na~4~Ce(As~2~O~7~)~2~","Acta Crystallographica Section C","1997","53","4","397","399","10.1107/S0108270196007226","","","0.71069","MoKα","","0.0398","0.0262","","0.0579","0.0548","","","","1.277","1.362","1.362","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006049","8.61","0.003","16.01","0.005","12.878","0.003","90","","104.45","0.01","90","","1719","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(propan-1,3-diammonium) diphosphate tetrahydrate","","- C6 H32 N4 O11 P2 -","- C6 H32 N4 O11 P2 -","- C24 H128 N16 O44 P8 -","4","0.5","DU1165","Charfi, M.; Jouini, A.","Bis(propane-1,3-diammonium) Diphosphate Tetrahydrate","Acta Crystallographica Section C","1997","53","4","463","465","10.1107/S0108270196012127","","","1.5418","CuKα","","0.0424","0.0424","","0.1113","0.1113","","","","1.189","1.189","1.189","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006050","8.058","0.001","14.546","0.003","12.247","0.002","90","","95.57","0.01","90","","1428.7","0.4","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(3-(η^5^-cyclopentadienylamido)propionic acid)(tricarbonyl)rhenium","","- C12 H10 N O6 Re -","- C12 H10 N O6 Re -","- C48 H40 N4 O24 Re4 -","4","1","DU1167","Bennouna, A.; Mousser, A.; Gorfti, A.; Salmain, M.; Cabestaing, C.; Jaouen, G.","Tricarbonyl[3-(η^5^-cyclopentadienylcarbonylamino)propionic acid]rhenium","Acta Crystallographica Section C","1997","53","4","447","449","10.1107/S0108270196014643","","","0.71073","MoKα","","","0.03","","","0.033","","","","","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006051","10.154","0.002","8.968","0.002","6.749","0.002","90","","104","0.2","90","","596.3","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pGlu-Pro-NH~2~","(author's name) cis-3-(2-pyrrolidone-5(S)-carbonyl)-L-prolinamide","","- C10 H17 N3 O4 -","- C10 H17 N3 O4 -","- C20 H34 N6 O8 -","2","1","DU1169","Wouters, J.; Norberg, B.; Evrard, G.","The Dipeptide pGlu‒Pro-NH~2~","Acta Crystallographica Section C","1997","53","4","477","480","10.1107/S0108270196014655","","","1.54178","CuKα","","0.0266","0.0256","","0.0764","0.0749","","","","1.084","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006052","13.576","0.004","17.947","0.003","12.262","0.003","105.11","0.02","114.19","0.02","83.55","0.02","2631","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[(μ-Acetato)(μ-oxo)(bis(tris-(2-pyridylmethyl)amine)diiron(III)](triflate) dihydrate","","- C41 H43 F9 Fe2 N8 O14 S3 -","- C40 H39 F6 Fe2 N8 O9 S2 -","- C80 H78 F12 Fe4 N16 O18 S4 -","2","1","FG1185","Norman, R. E.; Peterson, N. L.; Chang, S.-C.","μ-Acetato-<i>O</i>:<i>O</i>'-μ-oxo-bis{[tris(2-pyridylmethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']iron(III)} Tris(trifluoromethanesulfonate) Dihydrate","Acta Crystallographica Section C","1997","53","4","452","453","10.1107/S0108270196015016","","","0.71069","MoKα","","0.1098","0.0545","","0.1653","0.1445","","","","1.048","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006053","8.814","0.002","9.742","0.002","16.516","0.003","90","","99.65","0.03","90","","1398.1","0.5","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tran-Bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-N^1^, N')copper(II) tetrafluoroborate","","- C24 H20 B2 Cu F8 N12 -","- C24 H20 B2 Cu F8 N12 -","- C48 H40 B4 Cu2 F16 N24 -","2","0.5","FG1212","Jircitano, A. J.; Sommerer, S. O.; Abboud, K. A.","<i>trans</i>-Bis[4-amino-3,5-bis(2-pyridyl)-1,2,4-triazole-<i>N</i>^1^,<i>N</i>']copper(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1997","53","4","434","436","10.1107/S0108270196015028","","","0.71073","MoKα","","0.0895","0.0578","","0.169","0.1467","","","","1.043","1.14","1.14","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006054","9.988","0.002","15.154","0.005","23.193","0.007","90","","90.31","0.02","90","","3510.4","1.7","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Mer,trans-(acetonitrile)trichlorobis(triphenylphosphine)rhenium(III)","(OC-6-13)-(Acetonitrile)trichlorobis(triphenylphosphine)rhenium(III)","","- C38 H33 Cl3 N P2 Re -","- C38 H33 Cl3 N P2 Re -","- C152 H132 Cl12 N4 P8 Re4 -","4","1","FG1219","Davis, M.; Bélanger-Gariépy, F.; Zargarian, D.; Beauchamp, A. L.","Reinvestigation of <i>mer</i>,<i>trans</i>-(Acetonitrile)trichlorobis(triphenylphosphine)rhenium(III)","Acta Crystallographica Section C","1997","53","4","428","430","10.1107/S0108270196014680","","","1.5418","CuKα","","0.0588","0.0367","","0.0839","0.0791","","","","0.865","0.982","0.982","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006055","11.48","0.002","15.846","0.003","15.14","0.003","90","","91.5","0.03","90","","2753.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Me~4~N)[Hg(SCOPh)~3~]","Tetramethylammonium Tris(thiobenzoato)mercury(II)","","- C25 H27 Hg N O3 S3 -","- C25 H27 Hg N O3 S3 -","- C100 H108 Hg4 N4 O12 S12 -","4","1","FG1233","Vittal, J. J.; Dean, P. A. W.","Tetramethylammonium Tris(thiobenzoato-<i>O</i>,<i>S</i>)mercury(II)","Acta Crystallographica Section C","1997","53","4","409","410","10.1107/S0108270196014692","","","0.71073","MoKα","","0.0922","0.0485","","0.1222","0.1037","","","","1.037","1.124","1.124","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006056","10.4082","0.0017","19.453","0.004","7.3882","0.0019","90","","90","","90","","1495.9","0.5","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(SR,1R,2S)-1-(t-Butylsulfinyl)-2-(hydroxymethyl)ferrocene","","- C15 H20 Fe O2 S -","- C15 H20 Fe O2 S -","- C60 H80 Fe4 O8 S4 -","4","1","FG1237","Robinson, P. D.; Hua, D. H.; Lagneau, N. M.; Robben, P. M.; Meyers, C. Y.","(S<i>R</i>,1<i>R</i>,2<i>S</i>)-1-(<i>tert</i>-Butylsulfinyl)2-(hydroxymethyl)ferrocene","Acta Crystallographica Section C","1997","53","4","445","447","10.1107/S0108270196014916","","","0.71069","MoKα","","","0.039","","","0.036","","","","","1.17","1.17","","","","","has coordinates","191858","2020-10-21","18:00:00",""
"2006057","6.906","0.004","12.009","0.007","14.643","0.008","90","","95.88","0.04","90","","1208","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-phenylenebis(diphenylphosphine oxide)","","- C30 H24 O2 P2 -","- C30 H24 O2 P2 -","- C60 H48 O4 P4 -","2","0.5","FG1247","Alexander, N. C.; Robinson, B. H.; Simpson, J.","1,4-Phenylenebis(diphenylphosphine oxide)","Acta Crystallographica Section C","1997","53","4","465","467","10.1107/S0108270196014709","","","0.71073","MoKα","","0.0947","0.0516","","0.0451","0.0405","","","","","1.3996","1.3996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006058","9.324","0.003","17.688","0.004","17.81","0.006","90","","95.77","0.03","90","","2922.4","1.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-1,4-Bis(diphenylphosphino)phenylene-P,P'-bis[μ~3~-benzylidene-octacarbonyl- triangulo-tricobalt(3 Co—Co)]","","- C60 H34 Co6 O16 P2 -","- C60 H34 Co6 O16 P2 -","- C120 H68 Co12 O32 P4 -","2","0.5","FG1249","Alexander, N. C.; Robinson, B. H.; Simpson, J.","μ-1,4-Bis(diphenylphosphino)phenylene-<i>P</i>:<i>P</i>'-bis[μ~3~-benzylidyne-octacarbonyl-<i>triangulo</i>-tricobalt(3 <i>Co</i>—<i>Co</i>)]","Acta Crystallographica Section C","1997","53","4","425","428","10.1107/S010827019601503X","","","0.71073","MoKα","","","0.0487","","","0.0434","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006059","10.1662","0.0016","12.404","0.003","9.0923","0.0014","100.677","0.015","102.334","0.012","111.728","0.014","995.4","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","","2-Phenyl-4-(9'-fluorenoxy)-1(2H)-phthalazinone","","- C27 H18 N2 O2 -","- C27 H18 N2 O2 -","- C54 H36 N4 O4 -","2","1","FG1251","Bausch, M. J.; Robinson, P. D.; Gong, Y.","4-(9-Fluorenoxy)-2-phenylphthalazin-1(2<i>H</i>)-one","Acta Crystallographica Section C","1997","53","4","517","519","10.1107/S0108270196015156","","","0.71069","MoKα","","0.0898","0.035","","0.1097","0.0863","","","","1.022","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006060","19.67","0.006","15.904","0.003","9.485","0.006","90","","90","","90","","2967","2","295","1","295","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N3 -","- C17 H19 N3 -","- C136 H152 N24 -","8","1","FG1252","Parvez, M.","Antazoline","Acta Crystallographica Section C","1997","53","4","506","508","10.1107/S0108270196015934","","","0.71069","MoKα","","0.198","0.0493","","0.2972","0.1289","","","","1.012","1.136","1.136","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006061","7.3045","0.0002","9.8633","0.0003","10.7436","0.0004","90","","98.608","0.001","90","","765.32","0.04","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Nitroacetophenone","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C32 H28 N4 O12 -","4","1","HA1182","Bolte, M.; Scholtyssik, M.","<i>meta</i>-Nitroacetophenone at 173K","Acta Crystallographica Section C","1997","53","4","474","476","10.1107/S0108270196015545","","","0.71073","MoKα","","0.0406","0.0354","","0.1027","0.0998","","","","1.044","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006062","13.853","0.001","10.988","0.002","16.678","0.002","90","","98.703","0.007","90","","2509.4","0.6","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{S-(1-lithio-2,2-diphenylethenyl)-N-methyl-S-phenylsulfoximine- tetrahydrofuran} tetrahydrofuran solvate","","- C54 H60 Li2 N2 O5 S2 -","- C54 H60 Li2 N2 O5 S2 -","- C108 H120 Li4 N4 O10 S4 -","2","0.5","JZ1153","Zehnder, M.; Müller, J. F. K.; Neuburger, M.","Bis{μ-[1-(<i>N</i>-Methylsulfonimidoyl)-2,2-diphenylethene]}-1κ^2^<i>C</i>^1^,<i>N</i>:2κ<i>O</i>;1κ<i>O</i>:2κ^2^<i>C</i>^1^,<i>N</i>-bis[(tetrahydrofuran-<i>O</i>)lithium] Tetrahydrofuran Solvate and 1-(<i>N</i>-Methylphenylsulfonimidoyl)-2,2-diphenylethene","Acta Crystallographica Section C","1997","53","4","419","422","10.1107/S0108270196014412","","","1.5418","CuKα","","","0.0623","","","0.0702","","","","","0.97","0.97","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006063","6.0861","0.0004","11.9803","0.0007","12.4121","0.0007","97.17","0.004","90.662","0.005","99.241","0.005","885.82","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","2,2-Diphenylethenyl-N-methyl-S-phenylsulfoximine","","- C21 H19 N O S -","- C21 H19 N O S -","- C42 H38 N2 O2 S2 -","2","1","JZ1153","Zehnder, M.; Müller, J. F. K.; Neuburger, M.","Bis{μ-[1-(<i>N</i>-Methylsulfonimidoyl)-2,2-diphenylethene]}-1κ^2^<i>C</i>^1^,<i>N</i>:2κ<i>O</i>;1κ<i>O</i>:2κ^2^<i>C</i>^1^,<i>N</i>-bis[(tetrahydrofuran-<i>O</i>)lithium] Tetrahydrofuran Solvate and 1-(<i>N</i>-Methylphenylsulfonimidoyl)-2,2-diphenylethene","Acta Crystallographica Section C","1997","53","4","419","422","10.1107/S0108270196014412","","","1.5418","CuKα","","","0.0394","","","0.0473","","","","","1.03","1.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006064","17.582","0.012","9.451","0.008","24.558","0.017","90","","98.88","0.08","90","","4032","5","150","0.2","150","0.2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C8 H24 F12 N4 Ni P2 S2 -","- C8 H24 F12 N4 Ni P2 S2 -","- C64 H192 F96 N32 Ni8 P16 S16 -","8","1","JZ1164","Blake, A. J.; Danks, J. P.; Parsons, S.; Schröder, M.","Bis[bis(2-aminoethyl-<i>N</i>)sulfide-<i>S</i>]nickel(II) Bis(hexafluorophosphate)","Acta Crystallographica Section C","1997","53","4","411","413","10.1107/S0108270196013297","","","0.71073","MoKα","","0.0907","0.0647","","0.302","0.2062","","","","1.044","0.856","0.856","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006065","9.0191","0.0009","10.715","0.002","15.374","0.002","90","","94.382","0.01","90","","1481.4","0.4","293","2","293","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Diphenylphosphinoyl-1,3-dioxane ?","","- C16 H17 O3 P -","- C16 H17 O3 P -","- C64 H68 O12 P4 -","4","1","KA1181","Majzner, W. R.; Wieczorek, M. W.; Mikołajczyk, M.; Graczyk, P. P.","2-(Diphenylphosphinoyl)-1,3-dioxane","Acta Crystallographica Section C","1997","53","4","467","469","10.1107/S0108270196005604","","","1.54178","CuKα","","0.0859","0.0564","","0.156","0.1362","","","","1.067","1.135","1.135","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006066","9.363","0.001","9.363","0.001","11.015","0.002","90","","90","","120","","836.3","0.2","293","2","293","2","","","","","","","","4","P 32","P 32","145","","N'-Ethoxiyarbonyl-1-Methylpyrrole-2-carbohydrazide.","","- C9 H13 N3 O3 -","- C9 H13 N3 O3 -","- C27 H39 N9 O9 -","3","1","KA1194","Liu-Gonzalez, M.; Sanz-Ruiz, F.; Gonzalez-Rosende, M. E.; Lozano-Lucía, O.; Zaballos-García, E.; Sepulveda-Arqués, J.","Ethyl <i>N</i>-Methyl-2-pyrrolylcarbonylhydrazinocarboxylate","Acta Crystallographica Section C","1997","53","4","490","491","10.1107/S0108270196013583","","","0.71073","MoKα","","","0.036","","","0.046","","","","","1.734","1.734","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006067","8.192","0.003","19.278","0.005","16.952","0.002","90","","100.2","0.2","90","","2635","2","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F3 N3 O3 -","- C12 H12 F3 N3 O3 -","- C96 H96 F24 N24 O24 -","8","2","KA1209","Yanes, C.; Torres, M.; López-Rodríguez, M.; Núñez, P.; Brito, I.","<i>N</i>-(5-Nitro-2-pyrrolidinylphenyl)trifluoroacetamide","Acta Crystallographica Section C","1997","53","4","492","493","10.1107/S0108270196014679","","","1.54055","CuKα","","","0.0446","","","0.137","","","","","0.635","0.635","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006068","11.72","0.01","9.57","0.01","10.69","0.01","100.42","0.1","110.81","0.1","103.55","0.1","1043","2","288","","288","","","","","","","","","6","P -1","-P 1","2","","(2,2'-bipyridyl)-sesqui(trifluoroacetato-mercury(II))","","- C16 H8 F9 Hg1.5 N2 O6 -","- C16 H8 F9 Hg1.5 N2 O6 -","- C32 H16 F18 Hg3 N4 O12 -","2","1","LI1151","Halfpenny, J.; Small, R. W. H.","The Mercury(II) Trifluoroacetate‒Bipyridyl System","Acta Crystallographica Section C","1997","53","4","438","443","10.1107/S0108270196012772","","","0.7107","MoKα","","","0.046","","","0.05","","","","","2.375","2.375","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006069","12.78","0.01","16.06","0.02","10.58","0.01","86.46","0.09","90.18","0.09","80.29","0.08","2136","4","288","","288","","","","","","","","","6","P -1","-P 1","2","","tris(2,2'-bipyridyl)-bis(trifluoroacetato_mercury(II))","","- C38 H24 F12 Hg2 N6 O8 -","- C38 H24 F12 Hg2 N6 O8 -","- C76 H48 F24 Hg4 N12 O16 -","2","1","LI1151","Halfpenny, J.; Small, R. W. H.","The Mercury(II) Trifluoroacetate‒Bipyridyl System","Acta Crystallographica Section C","1997","53","4","438","443","10.1107/S0108270196012772","","","0.7107","MoKα","","","0.049","","","0.053","","","","","2.227","2.227","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006070","16.54","0.02","11.06","0.01","7.59","0.01","98.6","1","87.7","0.9","67.2","0.7","1258","9","288","","288","","","","","","","","","6","P -1","-P 1","2","","bis(2,2'-bipyridyl)-trifluoroacetato-mercury(II)","","- C24 H16 F6 Hg N4 O4 -","- C24 H16 F6 Hg N4 O4 -","- C48 H32 F12 Hg2 N8 O8 -","2","1","LI1151","Halfpenny, J.; Small, R. W. H.","The Mercury(II) Trifluoroacetate‒Bipyridyl System","Acta Crystallographica Section C","1997","53","4","438","443","10.1107/S0108270196012772","","","0.7107","MoKα","","","0.052","","","0.057","","","","","2.267","2.267","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006071","16.848","0.002","6.261","0.001","17.034","0.001","90","","132.49","0.03","90","","1325","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Sodium trans-Bis(methyliminodiacetato)chromate(III)","","- C10 H14 Cr N2 Na O8 -","- C10 H14 Cr N2 Na O8 -","- C40 H56 Cr4 N8 Na4 O32 -","4","0.5","MU1280","Suh, J.-S.; Park, S.-J.; Lee, K.-W.; Suh, I.-H.; Lee, J.-H.; Song, J.-H.; Oh, M.-R.","Sodium <i>trans</i>-Bis(methyliminodiacetato-<i>O</i>,<i>N</i>,<i>O</i>)chromate(III), Na[Cr(C~5~H~7~NO~4~)~2~]","Acta Crystallographica Section C","1997","53","4","432","434","10.1107/S0108270196013327","","","0.71069","MoKα","","0.0318","0.0284","","0.0797","0.0741","","","","0.168","0.166","0.166","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006072","10.268","0.001","13.845","0.002","11.742","0.002","90","","101.73","0.01","90","","1634.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","toluenesulfonamide 2(-)-limonene","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","NA1220","","(±)-N-[1,8(10)-menthadien-3-yl]toluenesulfonamide","Acta Crystallographica C","1997","53","","519","521","10.1107/S0108270196013777","","","1.54178","CuKα","","0.055","0.0484","","0.1401","0.133","","","","1.059","1.076","1.076","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2006073","9.484","0.005","10.949","0.007","35.744","0.02","90","0","93.87","0.04","90","0","3703","4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 As Cl3 N3 O6 S Tc -","- C34 H31 As Cl9 N3 O6 S Tc -","- C136 H124 As4 Cl36 N12 O24 S4 Tc4 -","4","1","NA1260","Blaton, N. M.; Bormans, G.; Peeters, O. M.; Verbruggen, A.","Epimer B of Tetraphenylarsonium (Mercaptoacetylalanylglycylglycinato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>S</i>)oxotechnetate(V) (^99^Tc) Chloroform Solvate","Acta Crystallographica Section C","1997","53","4","449","451","10.1107/S0108270196014874","","","0.71073","MoKα","","0.1437","0.0489","","0.1935","0.1317","","","","1.006","1.053","1.053","","","","","has coordinates","211412","2020-10-21","18:00:00",""
"2006074","10.152","0.003","9.407","0.003","19.448","0.008","90","","90.12","0.03","90","","1857.3","1.1","293","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Tris(2-hydroxymethyl)methylammonium (2,6-dichlorophenyl)amino-phenylacetate (HTRIS.D)","","- C18 H22 Cl2 N2 O5 -","- C18 H22 Cl2 N2 O5 -","- C72 H88 Cl8 N8 O20 -","4","1","NA1262","Castellari, C.; Ottani, S.","Anti-Inflammatory Drugs. V. [Tris-(2-hydroxymethyl)methyl]ammonium 2-[(2,6-Dichlorophenyl)amino]phenylacetate (TRISH. D)","Acta Crystallographica Section C","1997","53","4","482","486","10.1107/S0108270196013649","","","0.71069","MoKα","","0.1153","0.0403","","0.0866","0.067","","","","0.996","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006075","8.8435","0.001","8.7911","0.001","7.7906","0.001","90","","90","","90","","605.67","0.12","293","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","TRIS","Tris(2-hydroxymethyl)aminomethane","","- C4 H11 N O3 -","- C4 H11 N O3 -","- C16 H44 N4 O12 -","4","1","NA1262","Castellari, C.; Ottani, S.","Anti-Inflammatory Drugs. V. [Tris-(2-hydroxymethyl)methyl]ammonium 2-[(2,6-Dichlorophenyl)amino]phenylacetate (TRISH. D)","Acta Crystallographica Section C","1997","53","4","482","486","10.1107/S0108270196013649","","","0.71069","MoKα","","0.0352","0.032","","0.0883","0.0837","","","","1.042","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006076","7.17","0.001","30.766","0.001","16.91","0.001","90","","90","","90","","3730.2","0.6","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","isotretinoin","13-cis-retinoic acid","","- C20 H28 O2 -","- C20 H27.8 O2 -","- C160 H222.4 O16 -","8","","NA1267","Malpezzi, L.; Fuganti, C.; Grasselli, P.","Disorder in 13-<i>cis</i>-Retinoic Acid","Acta Crystallographica Section C","1997","53","4","508","511","10.1107/S0108270196014588","","","1.54178","CuKα","","0.0555","0.0449","","0.133","0.1216","","","","1.043","1.072","1.072","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006077","8.766","0.002","10.759","0.002","13.158","0.002","105.084","0.011","104.568","0.012","97.278","0.01","1134.9","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","4-(1,7,8,9,10,10-Hexachloro-3,5-dioxo-4-aza-tricyclo-[5.2.1.0^2,6^]dec-8- en-4-yl-butyracid","","- C20 H17 Cl6 N O4 -","- C20 H17 Cl6 N O4 -","- C40 H34 Cl12 N2 O8 -","2","1","NA1268","Bartkowska, B.; Bohnen, F. M.; Krüger, C.; Maier, W. F.","4-(1,7,8,9,10,10-Hexachloro-3,5-dioxo-4-azatricyclo[5.2.1.0^2,6^]dec-8-en-4-yl)butyric Acid Toluene Solvate","Acta Crystallographica Section C","1997","53","4","521","522","10.1107/S0108270196015569","","","0.71069","MoKα","","0.0359","0.0337","","0.1104","0.109","","","","1.134","1.159","1.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006078","3.9851","0.0005","16.547","0.003","11.841","0.002","90","","93.2","0.01","90","","779.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dibromo-5-hydroxybenzaldehyde","","- C7 H4 Br2 O2 -","- C7 H4 Br2 O2 -","- C28 H16 Br8 O8 -","4","1","NA1276","Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; d Rocha Gonsalves, A. M.; Pereira, M. M.; Serra, A. C.","2,4-Dibromo-5-hydroxybenzaldehyde","Acta Crystallographica Section C","1997","53","4","494","496","10.1107/S0108270196015296","","","0.71073","MoKα","","0.1112","0.0279","","0.0681","0.0507","","","","1.013","1.018","1.018","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006079","12.268","0.002","7.52","0.002","12.338","0.002","90","","91.86","0.01","90","","1137.6","0.4","295","1","296","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H11 Br2 N -","- C10 H11 Br2 N -","- C40 H44 Br8 N4 -","4","1","OA1016","Banwell, M. G.; Hockless, D. C. R.; Wu, A. W.","(<i>E</i>)-3-(2,2-Dibromospiro[2.4]heptan-1-yl)propenenitrile","Acta Crystallographica Section C","1997","53","4","504","506","10.1107/S0108270196014886","","","1.5418","CuKα","","0.1363","0.0774","","0.0605","0.0563","","","","1.743","2.107","2.107","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006080","11.232","0.004","9.175","0.003","10.444","0.004","90","0","107.09","0.03","90","0","1028.8","0.7","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","0.5","OH1103","Kanno, H.; Iijima, K.","4,4'-Dimethyl-2,2'-bipyridine 1,1'-Dioxide","Acta Crystallographica Section C","1997","53","4","498","499","10.1107/S010827019601548X","","","0.71073","MoKα","","","0.0572","","","0.0585","","","","","1.59","1.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006081","8.468","0.002","9.778","0.003","15.193","0.001","90","","90","","90","","1258","0.5","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-hydroxy-2-méthylpyrrolidin-2-yl] phosphonate de diéthyle","","- C9 H20 N O4 P -","- C9 H20 N O4 P -","- C36 H80 N4 O16 P4 -","4","1","PA1234","Barbati, S.; Siri, D.; Tordo, P.; Reboul, J.-P.","(<i>N</i>-Hydroxy-2-méthylpyrrolidin-2-yl)phosphonate de Diéthyle","Acta Crystallographica Section C","1997","53","4","461","463","10.1107/S0108270196014448","","","0.71069","MoKα","","0.033","0.033","","0.032","0.032","","","","0.21","0.21","0.21","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006082","6.6446","0.0005","9.4721","0.0008","35.046","0.002","90","","90","","90","","2205.7","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(thian-5-one-1,1-dioxide)-3-spiro-3'-(5'-O-tert-butyldimethylsilyl-3'- deoxy-1',2'-O-isopropylidene-alpha-D-xylo-pentofuranose)","","- C18 H32 O7 S Si -","- C18 H32 O7 S Si -","- C72 H128 O28 S4 Si4 -","4","1","PA1244","Bernardinelli, G.; Tronchet, J. M. J.; Kovacs, I.","Absolute Structure of (Thian-5-one 1,1-dioxide)-3-spiro-3'-(5'-<i>O</i>-<i>tert</i>-butyldimethylsilyl-3'-deoxy-1',2'-<i>O</i>-isopropylidene-α-<small>D</small>-<i>xylo</i>-pentofuranose), a Novel Type of Spirosugar","Acta Crystallographica Section C","1997","53","4","511","513","10.1107/S010827019601445X","","","1.54184","CuKα","","0.068","0.059","","0.048","0.041","","","","3.432","3.101","3.101","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006083","32.156","0.013","7.114","0.002","12.118","0.006","90","","101.47","0.06","90","","2717","2","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","(3R),(2'S)-2'-N-Dibenzylamino-1,2:5,6-diisopropylidène-α-D-allofuranos-3- spiro-β-propiolactone","","- C28 H33 N O7 -","- C28 H33 N O7 -","- C112 H132 N4 O28 -","4","1","PA1245","Chiaroni, A.; Riche, C.; Bouifraden, S.; Lavergne, J.-P.; Viallefont, P.","(3<i>R</i>,2'<i>S</i>)-2'-<i>N</i>-Dibenzylamino-1,2:5,6-di-<i>O</i>-isopropylidène-α-<small>D</small>-allofuranose-3-spiro-3'-β-propiolactone","Acta Crystallographica Section C","1997","53","4","457","459","10.1107/S0108270196014461","","","1.5418","CuKα","","","0.054","","","0.072","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006084","7.473","0.002","13.971","0.006","21.769","0.011","90","","90","","90","","2272.8","1.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","méthyl (2R,5S)-1-N-benzyl-5-méthoxycarbonylprolyl-(2S)-phénylalaninate","","- C24 H28 N2 O5 -","- C24 H28 N2 O5 -","- C96 H112 N8 O20 -","4","1","PA1246","Chiaroni, A.; Riche, C.; Zair, T.; Guenoun, F.; Lazaro, R.; Viallefont, P.","Méthyl <i>N</i>-[(2<i>R</i>,5<i>S</i>)-1-<i>N</i>-Benzyl-5-méthoxycarbonylprolyl]-(<i>S</i>)-phénylalaninate","Acta Crystallographica Section C","1997","53","4","459","461","10.1107/S0108270196014606","","","1.5418","CuKα","","","0.075","","","0.107","","","","","1.09","1.09","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006085","5.131","0.005","13.261","0.008","12.718","0.005","90","","94.95","0.08","90","","862.1","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[(1,2-ethanediyl)bis(nitrilopropylidyne)]bisphenol","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","0.5","PA1247","Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 1,2-Diaminoethane","Acta Crystallographica Section C","1997","53","4","486","488","10.1107/S0108270196014473","","","0.71073","MoKα","","0.0952","0.0423","","0.0927","0.0809","","","","0.723","1.002","1.002","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006086","18.53","0.008","13.443","0.01","17.737","0.008","90","","90","","90","","4418","4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,2'-[(1,2-ethanediyl)bis(nitrilobenzylidyne)]bisphenol","","- C28 H24 N2 O2 -","- C28 H24 N2 O2 -","- C224 H192 N16 O16 -","8","2","PA1247","Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","Two Schiff Base Ligands Derived from 1,2-Diaminoethane","Acta Crystallographica Section C","1997","53","4","486","488","10.1107/S0108270196014473","","","0.71073","MoKα","","0.1121","0.0394","","0.0854","0.0674","","","","0.546","0.796","0.796","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006087","17.491","0.004","14.236","0.003","18.656","0.004","90","","100.24","0.02","90","","4571.4","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-hydrido-μ-dicyclohexylphosphido-bis(dicyclohexylphosphine-tricarbonyl- rhenium)","","- C42 H69 O6 P3 Re2 -","- C42 H69 O6 P3 Re2 -","- C168 H276 O24 P12 Re8 -","4","0.5","SK1060","Flörke, U.; Haupt, H.-J.","μ-Hydrido-μ-dicyclohexylphosphido-bis[dicyclohexylphosphine(tricarbonyl)rhenium]","Acta Crystallographica Section C","1997","53","4","404","406","10.1107/S0108270196014291","","","0.71073","MoKα","","0.0784","0.0424","","0.0635","0.0575","","","","0.944","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006088","19.818","0.004","6.676","0.002","20.035","0.004","90","","109.044","0.011","90","","2505.7","1","294","","294","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(2'-Dimethylaminoethyl)-2-hydroxy-5-nitrobenzylamine","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C88 H136 N24 O24 -","8","1","AB1425","Hazell, Alan; Overgaard, Jacob; Lausen, Søren Konstmann; Hu, Hongjuan; Khoo, Lian Ee","2-[2-(Dimethylamino)ethylammoniomethyl]-4-nitrophenolate","Acta Crystallographica Section C","1997","53","5","640","641","10.1107/S0108270196015491","","","0.71073","MoKα","","","0.065","","","0.069","","","","","1.28","1.28","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2006089","10.4657","0.0006","10.8221","0.0005","11.416","0.0005","76.542","0.004","65.033","0.004","73.103","0.004","1112.49","0.1","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","Bis(2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioate)bis(pyridine)dirhodium(II)","","- C40 H62 N2 O12 Rh2 -","- C40 H62 N2 O12 Rh2 -","- C40 H62 N2 O12 Rh2 -","1","0.5","AB1452","Gallagher, John F.; Ferguson, George; McAlees, Alan J.","Bis(μ-2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioato-<i>O</i>^1^,<i>O</i>^11^:<i>O</i>^1'^,<i>O</i>^11'^)bis(pyridine-<i>N</i>)dirhodium(II)(<i>Rh</i>—<i>Rh</i>)","Acta Crystallographica Section C","1997","53","5","576","579","10.1107/S010827019700142X","","","0.7107","MolybdenumKα","","0.027","0.0195","","0.0462","0.0447","","","","1.028","1.07","1.07","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006090","11.2525","0.0011","7.095","0.0012","18.612","0.002","90","","90","","90","","1485.9","0.3","294","1","294","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,4-Diazabicyclo[2.2.2]octane‒1,3,5-benzenetricarboxylic acid (1/1). .","","- C15 H18 N2 O6 -","- C15 H18 N2 O6 -","- C60 H72 N8 O24 -","4","0.5","AB1456","Meehan, Paul R.; Ferguson, George; Glidewell, Christopher; Patterson, Iain L.J.","Molecular Tiling in the 1:1 Adduct of 1,4-Diazabicyclo[2.2.2]octane and 1,3,5-Benzenetricarboxylic Acid","Acta Crystallographica Section C","1997","53","5","628","631","10.1107/S0108270197001200","","","0.7107","MolybdenumKα","","0.0912","0.0489","","0.1531","0.1407","","","","1.06","1.288","1.288","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006091","10.358","0.002","13.627","0.003","13.872","0.003","90.16","0.01","98.47","0.01","103.23","0.01","1883.9","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Sodium (μ-hydroxo)-bis(1,10-phenanthroline-N,N')- bis(thiosulfate-S)-di-Zinc(II), 4.35 hydrate, 0.85 methanol solvate","","- C28.85 H37.1 N4 Na O12.2 S4 Zn2 -","- C28.85 H37.1 N4 Na O12.2 S4 Zn2 -","- C57.7 H74.2 N8 Na2 O24.4 S8 Zn4 -","2","1","BK1290","Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa","Sodium Bis(2,9-dimethyl-1,10-phenanthroline)-μ-hydroxo-di(thiosulfato)dizinc(II) Pentahydrate Methanol Solvate","Acta Crystallographica Section C","1997","53","5","551","554","10.1107/S0108270196015375","","","0.71073","MoKα","","0.064","0.039","","0.112","0.095","","","","0.96","0.975","0.975","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2006092","21.329","0.005","9.268","0.005","8.262","0.005","90","0.005","106.16","0.005","90","0.005","1568.7","1.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(1S,2R,3S,4R)-3-Benzamido-3-methoxycarbonylbicyclo[2.2.1]heptane-2- carboxylic acid.","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","BM1118","Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.","A Conformationally Restricted Aspartic Acid Analogue with a Norbornane Skeleton. II","Acta Crystallographica Section C","1997","53","5","626","628","10.1107/S0108270196015727","","","0.71073","MoKα","","0.0862","0.0688","","0.2488","0.1894","","","","1.117","1.152","1.152","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006093","9.8797","0.0007","12.2119","0.0008","7.6464","0.0006","90","","104.394","0.006","90","","893.58","0.11","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","Trisodium trimetaphosphimate monohydrate","Trisodium-tri-μ-imido-cyclotriphosphate monohydrate","","- H5 N3 Na3 O7 P3 -","- H5 N3 Na3 O7 P3 -","- H20 N12 Na12 O28 P12 -","4","1","BM1119","Stock, Norbert; Schnick, Wolfgang","Trisodium Trimetaphosphimate Monohydrate","Acta Crystallographica Section C","1997","53","5","532","534","10.1107/S010827019601520X","","","0.71073","MoKα","","0.0435","0.0311","","0.0663","0.0619","","","","1.031","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006094","12.761","0.002","12.1276","0.0013","7.9969","0.0009","90","","102.907","0.01","90","","1206.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-9-(Carboxymethyl)-2,6-diazidopurine methyl ester","","- C8 H6 N10 O2 -","- C8 H6 N10 O2 -","- C32 H24 N40 O8 -","4","1","BM1122","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","2,6-Diazido-9-(carboxymethyl)purine Methyl Ester","Acta Crystallographica Section C","1997","53","5","608","610","10.1107/S0108270196015764","","","1.54178","CuKα","","0.0916","0.0629","","0.1961","0.1646","","","","1.036","1.119","1.119","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006095","20.86","0.004","9.09","0.002","17.202","0.003","90","","92.23","0.03","90","","3259.3","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(1,1-bis(dimethylphosphonate)-1-hydroxyethane) praseodymium trinitrate","Bis(1,1-bis(dimethylphosphonato)-1-hydroxyethane) praseodymium (III) nitrate","","- C12 H32 N3 O23 P4 Pr -","- C12 H32 N2.5 O22.5 P4 Pr0.5 -","- C48 H128 N10 O90 P16 Pr2 -","4","0.5","BM1127","Lees, Anthony M. J.; Platt, Andrew W. G.; Kresinski, Roman A.","Bis[1-hydroxyethane-1,1-diylbis(dimethyl phosphonate-<i>O</i>)]tris(nitrato-<i>O</i>,<i>O</i>')praseodymium","Acta Crystallographica Section C","1997","53","5","581","583","10.1107/S0108270197000437","","","0.71069","MoKα","","0.0359","0.0348","","0.0881","0.0868","","","","0.825","0.836","0.836","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006096","7.761","0.001","11.513","0.003","5.5234","0.0009","90","","90","","90","","493.53","0.16","293","","","","","","","","","","","3","C m m a","-C 2a 2","67","","","","- Ba F6 Tb -","- Ba F6 Tb -","- Ba4 F24 Tb4 -","4","0.25","BR1157","Largeau, Eric; El-Ghozzi, Malika; Métin, Jacques; Avignant, Daniel","β-BaTbF~6~","Acta Crystallographica Section C","1997","53","5","530","532","10.1107/S0108270196014527","","","0.71073","MoKα","","","0.026","","","0.03","","","","","1.615","1.615","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006097","13.843","0.002","10.683","0.002","8.155","0.002","90","","99.13","0.02","90","","1190.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[N-(4-bromophenyl)salicylaldimine]copper(II)","","- C26 H18 Br2 Cu N2 O2 -","- C26 H18 Br2 Cu N2 O2 -","- C52 H36 Br4 Cu2 N4 O4 -","2","0.5","CF1096","Elerman, Yalçin; Geselle, Marcus","Bis[<i>N</i>-(4-bromophenyl)salicylaldimine]copper(II)","Acta Crystallographica Section C","1997","53","5","549","551","10.1107/S010827019601387X","","","0.71073","MoKα","","","0.0434","","","0.1208","","","","","1.117","1.117","","","","","has coordinates,has Fobs","191978","2020-10-21","18:00:00",""
"2006098","14.224","0.002","8.882","0.002","22.885","0.005","90","","101.47","0.01","90","","2833.5","1","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O12 Pb -","- C26 H28 N2 O12 Pb -","- C104 H112 N8 O48 Pb4 -","4","1","CF1121","Lin, Ching-Shan; Liu, Lilian Kao; Ueng, Chuen-Her","(Benzyl <i>sym</i>-dibenzo-16-crown-5 ether)lead(II) Dinitrate","Acta Crystallographica Section C","1997","53","5","574","576","10.1107/S0108270196015739","","","0.7107","MoKα","","","0.035","","","0.026","","","","","2.05","2.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006099","3.725","0.001","4.773","0.001","4.936","0.001","107.03","0.02","107.23","0.02","101.57","0.02","76.08","0.04","293","","293","","","","","","","","","3","P 1","P 1","1","tetrazole","α-1H-1,2,3,4-tetrazole","","- C H2 N4 -","- C H2 N4 -","- C H2 N4 -","1","1","CF1151","Goddard, Richard; Heinemann, Oliver; Krüger, Carl","α-1<i>H</i>-1,2,3,4-Tetrazole","Acta Crystallographica Section C","1997","53","5","590","592","10.1107/S0108270197000772","","","0.71069","MoKα","","0.0436","0.042","","0.101","0.099","","","","1.111","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006100","18.52","0.002","5.7602","0.0007","16.788","0.002","90","","114.78","0.02","90","","1626","0.4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(N-propionamido-β-alaninatocopper(II) hydrate","","- C12 H24 Cu N4 O7 -","- C12 H24 Cu N4 O7 -","- C48 H96 Cu4 N16 O28 -","4","0.5","DE1046","Chen, Wei; Lim, Meng-chay","Two Isomeric Bis(<i>n</i>-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O","Acta Crystallographica Section C","1997","53","5","539","543","10.1107/S0108270196015417","","","0.71073","MoKα","","0.0542","0.0339","","0.1054","0.0882","","","","0.756","0.732","0.732","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006101","18.357","0.003","5.7887","0.0004","17.728","0.003","90","","119.52","0.02","90","","1639.3","0.5","300","2","300","2","","","","","","","","5","C 1 2 1","C 2y","5","","bis(N-propionamido-α-alaninato)copper(II) hydrate","","- C12 H24 Cu N4 O7 -","- C12 H24 Cu N4 O7 -","- C48 H96 Cu4 N16 O28 -","4","1","DE1046","Chen, Wei; Lim, Meng-chay","Two Isomeric Bis(<i>n</i>-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O","Acta Crystallographica Section C","1997","53","5","539","543","10.1107/S0108270196015417","","","0.71073","MoKα","","0.0395","0.0338","","0.0776","0.073","","","","1.113","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006102","6.8175","0.0008","10.762","0.002","13.71","0.002","90","","90","","90","","1006","0.3","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Br Cu N2 O3 -","- C6 H11 Br Cu N2 O3 -","- C24 H44 Br4 Cu4 N8 O12 -","4","1","","Chen, Wei; Lim, Meng-chay","Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O","Acta Crystallographica Section C","1997","53","","539","543","","","","","","","","0.0292","","","0.0516","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2006103","7.6203","0.0004","10.2094","0.0009","14.045","0.002","90","","90","","90","","1092.7","0.2","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Br Cu N2 O4 -","- C6 H11 Br Cu N2 O4 -","- C24 H44 Br4 Cu4 N8 O16 -","4","1","DE1046","Chen, Wei; Lim, Meng-chay","Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O","Acta Crystallographica Section C","1997","53","5","539","543","10.1107/S0108270196015417","","","","","","","0.0478","","","0.1148","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2006104","12.03","0.001","19.854","0.002","17.091","0.002","90","","97.21","0.01","90","","4049.8","0.7","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","chloro(tri-n-butylphosphine)cobaloxime","trans-chlorobis(diphenylglyoximato)(tri-n-butylphosphine)cobalt(III)","","- C40 H49 Cl Co N4 O4 P -","- C40 H22 Cl Co N4 O4 P -","- C160 H88 Cl4 Co4 N16 O16 P4 -","4","1","FG1214","Barton, Richard J.; Major, Quinn; Mihichuk, Lynn M.; Robertson, Beverly E.; Seip, Candace","<i>trans</i>-Chlorobis(diphenylglyoximato)(tri-<i>n</i>-butylphosphine)cobalt(III)","Acta Crystallographica Section C","1997","53","5","568","570","10.1107/S010827019601565X","","","0.713543","MoKα","","0.101","0.085","","0.044","0.043","","","","1.322","1.352","1.352","","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2006105","11.115","0.002","15.077","0.003","17.182","0.003","65.191","0.012","87.299","0.01","79.709","0.012","2570.3","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","meso-dimethyl-bis([2.2]paracyclophan-4-yl)silane","","- C34 H36 Si -","- C34 H36 Si -","- C136 H144 Si4 -","4","2","FG1229","Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars","A Diastereomeric Pair of Cyclophane Derivatives: Planar‒Chiral and <i>meso</i>-Dimethylbis([2.2]paracyclophan-4-yl)silane","Acta Crystallographica Section C","1997","53","5","612","615","10.1107/S0108270197000085","","","0.71073","MoKα","","0.1511","0.0531","","0.1106","0.0876","","","","0.788","1.007","1.007","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006106","13.941","0.002","17.694","0.002","10.4379","0.0014","90","","93.089","0.01","90","","2571","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","chiral dimethyl-bis([2.2]paracyclophan-4-yl)silane","","- C34 H36 Si -","- C34 H36 Si -","- C136 H144 Si4 -","4","1","FG1229","Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars","A Diastereomeric Pair of Cyclophane Derivatives: Planar‒Chiral and <i>meso</i>-Dimethylbis([2.2]paracyclophan-4-yl)silane","Acta Crystallographica Section C","1997","53","5","612","615","10.1107/S0108270197000085","","","0.71073","MoKα","","0.078","0.0457","","0.1144","0.1034","","","","0.92","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006107","11.872","0.002","8.477","0.002","34.557","0.005","90","","93.36","0.006","90","","3471.8","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Au B9 Cl5 P2 -","- C27 H31 Au B9 Cl5 P2 -","- C108 H124 Au4 B36 Cl20 P8 -","4","1","FG1231","Jones, Peter G.; Villacampa, M. Dolores; Crespo, Olga; Gimeno, M. Concepcíon; Laguna, Antonio","<i>cis</i>-[7,8-Bis(diphenylphosphino)-7,8-dicarba-<i>nido</i>-undecaborato-<i>P</i>,<i>P</i>']dichlorogold(III) Chloroform Solvate","Acta Crystallographica Section C","1997","53","5","570","572","10.1107/S0108270197002059","","","0.71073","MoKα","","0.0834","0.0412","","0.07","0.0624","","","","0.82","0.942","0.942","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006108","9.142","0.004","9.687","0.004","10.449","0.005","113.07","0.03","94.14","0.03","115.15","0.03","738.3","0.7","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","trans-3,5-Dioxo-3,5-diphenyl-4-oxa-1,3,5-thia-diphosphorinane","","- C14 H14 O3 P2 S -","- C14 H14 O3 P2 S -","- C28 H28 O6 P4 S2 -","2","1","FG1232","Jones, Peter G.; Weinkauf, Andreas","<i>trans</i>-3,5-Diphenyl-1,4,2,6-oxathiadiphosphorinane-3,5-dione","Acta Crystallographica Section C","1997","53","5","615","616","10.1107/S0108270197000073","","","0.71073","MoKα","","0.0339","0.0301","","0.0811","0.0776","","","","1.038","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006109","6.78","0.001","10.229","0.003","15.991","0.002","90","","98.83","0.02","90","","1095.9","0.4","293","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(+/-)-4,5-Dihydro-1-oxo-2a(3H)-acenaphthylenecarboxylic acid","","- C13 H12 O3 -","- C13 H12 O3 -","- C52 H48 O12 -","4","1","FG1238","Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","Catemeric Hydrogen Bonding in a γ-Keto Acid: (±)-2a,3,4,5-Tetrahydro-1(2<i>H</i>)-oxoacenaphthylene-2a-carboxylic Acid","Acta Crystallographica Section C","1997","53","5","599","601","10.1107/S0108270196015144","","","0.71073","MoKα","","0.1109","0.0565","","0.1481","0.1209","","","","1.037","1.133","1.133","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006110","14.4649","0.0009","18.015","0.002","8.0881","0.0008","90","","90","","90","","2107.6","0.3","20","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[1aS]-6-amino-8{[(aminocarbonyl)oxy]methyl}-1,1a,2,8,8a,8b- hexahydro-8a-methoxy-5-phenylthiomethylazirino[2',3':3,4]- pyrrolo[1,2-a]indole-4,7-dione","","- C21 H22 N4 O5 S -","- C21 H22 N4 O5 S -","- C84 H88 N16 O20 S4 -","4","1","FR1007","Sugaya, Nobutaka; Fujii, Isao; Hirayama, Noriaki; Arai, Hitoshi; Kasai, Masaji","Structural Studies of Mitomycins. IX. 6-Demethyl-6-(phenylthiomethyl)mitomycin C","Acta Crystallographica Section C","1997","53","5","610","612","10.1107/S0108270196015612","","","1.5418","CuKα","","","0.052","","","0.08","","","","","2.38","2.38","","","","","has coordinates,has disorder","194531","2020-10-21","18:00:00",""
"2006111","14.637","0.003","16.46","0.002","6.629","0.002","90","","90","","90","","1597.1","0.6","296","","296","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H9 N O3 S -","- C7 H9 N O3 S -","- C56 H72 N8 O24 S8 -","8","1","","Sugaya, Nobutaka; Fujii, Isao; Hirayama, Noriaki; Arai, Hitoshi; Kasai, Masaji","Structural Studies of Mitomycins. IX. Structure of 6-Demethyl-6-(phenylthiomethyl)mitomycin C","Acta Crystallographica Section C","1997","53","","610","612","","","","","","","","0.058","","","0.038","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2006112","15.908","0.002","7.337","0.005","16.798","0.002","90","","117.145","0.006","90","","1744.7","1.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-aminotoluene-3-sulfonic acid hemihydrate","","- C7 H10 N O3.5 S -","- C7 H10 N O3.5 S -","- C56 H80 N8 O28 S8 -","8","2","FR1011","Leonard, Melvin A.; Squattrito, Philip J.","Anhydrous and Hydrated 4-Aminotoluene-3-sulfonic Acid","Acta Crystallographica Section C","1997","53","5","648","651","10.1107/S0108270196015600","","","0.7107","MoKα","","","0.087","","","0.045","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006113","10.246","0.002","5.524","0.002","19.973","0.001","90","","90.463","0.009","90","","1130.4","0.5","173","2","173.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","FR1017","William H. Ojala; Ramaswamy A. Iyer; Patrick E. Hanna; William B. Gleason","Heterocyclic <i>N</i>-Acetoxyarylamines, Models for the Putative Ultimate Carcinogens of Aromatic Amines: 2-Acetoxyamino-5-phenylpyridine and 2-Acetoxyaminopyridine","Acta Crystallographica Section C","1997","53","5","634","637","10.1107/S0108270196015168","","","1.5418","CuKα","","","0.0369","","","0.0464","","","","","2.165","2.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006114","9.432","0.001","5.472","0.002","14.9983","0.0009","90","","101.657","0.007","90","","758.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","FR1017","William H. Ojala; Ramaswamy A. Iyer; Patrick E. Hanna; William B. Gleason","Heterocyclic <i>N</i>-Acetoxyarylamines, Models for the Putative Ultimate Carcinogens of Aromatic Amines: 2-Acetoxyamino-5-phenylpyridine and 2-Acetoxyaminopyridine","Acta Crystallographica Section C","1997","53","5","634","637","10.1107/S0108270196015168","","","1.5418","CuKα","","","0.0359","","","0.0362","","","","","2.602","2.602","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006115","9.823","0.002","19.6","0.002","11.384","0.002","90","","93.26","0.02","90","","2188.2","0.6","292","","292","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Trifluoromethyl(cobalt) tricarbonyl triphenylphosphine","","- C22 H15 Co F3 O3 P -","- C22 H15 Co F3 O3 P -","- C88 H60 Co4 F12 O12 P4 -","4","1","FR1018","Mullica, Donald F.; Sappenfield, Eric L.; Gipson, Stephen L.; Wilkinson, Chad C.","Tricarbonyl(trifluoromethyl)(triphenylphosphine)cobalt","Acta Crystallographica Section C","1997","53","5","572","574","10.1107/S0108270196015910","","","0.71073","MoKα","","0.098","0.051","","0.729","0.065","","","","","1.59","1.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006116","7.602","0.001","8.662","0.001","7.505","0.001","94.64","0.01","96.48","0.01","67.2","0.01","452.3","0.11","296","","296","","","","","","","","","4","P -1","-P 1","2","4-aminoquinoline-2-carboxylic acid monohydrate","4-aminoquinoline-2-carboxylic acid monohydrate","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C20 H20 N4 O6 -","2","1","FR1021","Burd, Craig J.; Dobson, Allison J.; Gerkin, Roger E.","α and β Phases of 4-Aminoquinoline-2-carboxylic Acid Monohydrate","Acta Crystallographica Section C","1997","53","5","602","605","10.1107/S0108270197000565","","","0.71073","MoKα","","","0.04","","","0.055","","","","","2.3","2.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006117","7.378","0.001","7.306","0.001","16.833","0.001","90","","95.544","0.007","90","","903.12","0.18","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-aminoquinoline-2-carboxylic acid monohydrate","4-aminoquinoline-2-carboxylic acid monohydrate","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C40 H40 N8 O12 -","4","1","FR1021","Burd, Craig J.; Dobson, Allison J.; Gerkin, Roger E.","α and β Phases of 4-Aminoquinoline-2-carboxylic Acid Monohydrate","Acta Crystallographica Section C","1997","53","5","602","605","10.1107/S0108270197000565","","","0.71073","MoKα","","","0.045","","","0.054","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006118","10.839","0.002","13.519","0.003","18.939","0.004","90","","90","","90","","2775.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-Styrylsilatrane","E-1-(2-phenylethenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane","","- C14 H19 N O3 Si -","- C14 H19 N O3 Si -","- C112 H152 N8 O24 Si8 -","8","1","FR1023","Stradiotto, Mark; Crowe, Grant; Ruffolo, Ralph; Brook, Michael A.","1-Styrylsilatrane","Acta Crystallographica Section C","1997","53","5","637","639","10.1107/S0108270197000310","","","0.56086","AgKα","","0.2333","0.0554","","0.1305","0.0879","","","","0.761","1.089","1.089","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006119","12.148","0.002","20.749","0.003","13.026","0.002","90","","113.68","0.01","90","","3006.9","0.8","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis-nitrilotriacet-N-amide : lead (II) nitrate","","- C18 H36 N10 O12 Pb -","- C18 H36 N10 O12 Pb -","- C72 H144 N40 O48 Pb4 -","4","1","FR1025","Skrzypczak-Jankun, Ewa","2:1 Complex of <i>N</i>,<i>N</i>',<i>N</i>''-Trimethylnitrilotriacetamide and Pb(NO~3~)~2~","Acta Crystallographica Section C","1997","53","5","579","581","10.1107/S0108270197000693","","","0.71073","MoKα","","","0.028","","","0.035","","","","","1.114","1.114","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006120","16.353","0.009","30.264","0.009","8.461","0.008","90","","90","","90","","4187","5","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(7,9-Diphenylcyclopenta[a]acenaphtadien-6b-yl)ethylbromide","","- C29 H21 Br -","- C29 H21 Br -","- C232 H168 Br8 -","8","1","HA1185","Gerhard Jany; Marina Gustafsson; Timo Repo; Martti Klinga; Markku Leskelä","2-(7,9-Diphenylcyclopenta[<i>a</i>]acenaphthadien-6b-yl)ethylbromide","Acta Crystallographica Section C","1997","53","5","644","646","10.1107/S0108270197000632","","","0.71073","MoKα","","0.129","0.0712","","0.2757","0.1871","","","","1.119","1.188","1.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006121","14.133","0.002","8.642","0.002","8.7698","0.0011","90","","93.89","0.03","90","","1068.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-(Dimethylamino)-8-methyl-2-quinolone","5-(Dimethylamino)-8-methyl-2-quinolone","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","JZ1147","Sudha, L.; Subramanian, K.; Steiner, Thomas; Koellner, Gertraud; Ramakrishnan, V. T. R.; Sriraghavan, K.","5-Dimethylamino-8-methyl-2-quinolone","Acta Crystallographica Section C","1997","53","5","606","607","10.1107/S0108270196010621","","","1.54176","CuKα","","0.0572","0.0446","","0.127","0.1222","","","","1.095","1.197","1.197","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006122","9.556","0.003","18.257","0.003","18.629","0.003","90","","90","","90","","3250.1","1.3","293","2","293","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","3-Acetamido-4-N-cyclooctylaminonitrobenzene","","- C16 H23 N3 O3 -","- C16 H23 N3 O3 -","- C128 H184 N24 O24 -","8","2","KA1198","González-Platas, J.; Ruiz-Pérez, C.; Torres, M.; Yanes, C.","3-Acetamido-4-(cyclooctylamino)nitrobenzene","Acta Crystallographica Section C","1997","53","5","651","654","10.1107/S0108270196007202","","","0.71069","MoKα","","0.1577","0.0639","","0.2117","0.157","","","","1.034","1.157","1.157","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006123","9.32","0.002","9.9726","0.0014","17.203","0.004","90","","104.831","0.015","90","","1545.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-thienylpyridin)platin(II)","","- C18 H12 N2 Pt S2 -","- C18 H12 N2 Pt S2 -","- C72 H48 N8 Pt4 S8 -","4","1","KA1218","Breu, Josef; Range, Klaus-Jürgen; von Zelewsky, Alex; Yersin, Hartmut","Arene‒Arene Stacking in <i>cis</i>-Bis[2-(2-thienyl-<i>C</i>^3^)pyridine-<i>N</i>]platinum(II)","Acta Crystallographica Section C","1997","53","5","562","565","10.1107/S0108270196015053","","","0.71069","MoKα","","0.0298","0.0265","","0.0728","0.0714","","","","1.072","1.118","1.118","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006124","9.276","0.006","9.879","0.006","22.499","0.013","92.54","0.04","95.08","0.04","102.67","0.04","1999","2","291","1","291","1","","","","","","","","4","P -1","-P 1","2","","Bis[2-(triphenylsilyl)phenyl] Disulphide","","- C48 H38 S2 Si2 -","- C48 H38 S2 Si2 -","- C96 H76 S4 Si4 -","2","1","KA1224","Miller, John R.; Lu, Canzhong; Zheng, Yifan","Bis[2-(triphenylsilyl)phenyl] Disulfide","Acta Crystallographica Section C","1997","53","5","654","655","10.1107/S0108270197001662","","","0.71073","MoKα","","0.0677","0.0375","","0.1172","0.1018","","","","1.01","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006125","11.198","0.002","8.836","0.006","25.795","0.007","90","","98.34","0.02","90","","2525.3","1.9","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Cl2 N4 O9 -","- C16 H40 Cl2 N4 O9 -","- C64 H160 Cl8 N16 O36 -","4","1","KH1117","Hu, Huai-Ming; Sun, Hong-Sui; Huang, Xiao-Ying; Chen, Xiao-Hua; Liu, Yonyjiang; You, Xiao-Zeng","<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane Dihydroperchlorate Monohydrate","Acta Crystallographica Section C","1997","53","5","588","590","10.1107/S0108270196014667","","","0.71073","MoKα","","","0.061","","","0.07","","","","","1.76","1.76","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2006126","11.792","0.001","15.799","0.001","20.925","0.002","105.31","0.01","96.27","0.001","106.17","0.01","3540.3","0.6","289","2","289","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H82 N4 Na2 O20 S4 -","- C65 H82 N4 Na2 O20 S4 -","- C130 H164 N8 Na4 O40 S8 -","2","1","KH1122","Long, De-Liang; Jin, Qun-Hua; Xin, Xin-Quan; Yu, Kai-bei","Bis(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-pentaoxabenzo[<i>b</i>]cyclopentadecene-<i>O</i>^1^,<i>O</i>^4^,<i>O</i>^7^,<i>O</i>^10^,<i>O</i>^13^)sodium(1+) 1,1,7,7-Tetracyano-3,5-dithiahepta-1,6-diene-2,6-dithiolate(2 ‒) (2/1)","Acta Crystallographica Section C","1997","53","5","554","556","10.1107/S010827019601517X","","","0.71073","MoKα","","0.0914","0.0521","","0.1494","0.1368","","","","0.954","1.193","1.193","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006127","10.085","0.002","19.66","0.002","13.096","0.002","90","","96.683","0.008","90","","2578.9","0.7","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(p-chlorophenyl)diphenyl-N-phthaloylglycinatotin","","- C28 H22 Cl N O5 Sn -","- C28 H22.01 Cl1.01 N O5 Sn -","- C112 H88.04 Cl4.04 N4 O20 Sn4 -","4","1","KH1124","Lo, Kong Mun; Ng, Seik Weng; Kumar Das, V. G.","Aqua(<i>p</i>-chlorophenyl)diphenyl(<i>N</i>-phthaloylglycinato)tin(IV)","Acta Crystallographica Section C","1997","53","5","545","546","10.1107/S0108270196014837","","","0.71073","MoKα","","0.0501","0.0342","","0.0878","0.083","","","","1.031","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006128","11.003","0.001","13.3701","0.0009","18.408","0.002","90","","96.734","0.005","90","","2689.3","0.4","298","2","2980","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricyclohexyl-N-phthaloylglycinatotin","","- C28 H39 N O4 Sn -","- C28 H39 N O4 Sn -","- C112 H156 N4 O16 Sn4 -","4","1","KH1125","Ng, Seik Weng; Kumar Das, V. G.","Tricyclohexyl(<i>N</i>-phthaloylglycinato)tin(IV)","Acta Crystallographica Section C","1997","53","5","546","548","10.1107/S0108270196014849","","","0.71073","MoKα","","0.0706","0.0446","","0.0942","0.0862","","","","0.98","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006129","9.3375","0.0008","10.0667","0.0009","17.456","0.002","79.866","0.009","81.874","0.009","62.776","0.007","1432.8","0.3","300","","300","","","","","","","","","6","P -1","-P 1","2","","Tricyclohexyltin N,N-diethyldithiocarbamoylacetate","","- C25 H45 N O2 S2 Sn -","- C25 H45 N O2 S2 Sn -","- C50 H90 N2 O4 S4 Sn2 -","2","1","KH1130","Ng, Seik Weng; Kumar Das, V. G.","Tricyclohexyl[(<i>N</i>,<i>N</i>-diethylthiocarbamoylthio)acetato-<i>O</i>]tin(IV)","Acta Crystallographica Section C","1997","53","5","548","549","10.1107/S010827019601493X","","","0.71073","MoKα","","0.0444","0.0375","","0.1115","0.1058","","","","1.166","1.182","1.182","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006130","10.5774","0.0004","7.0688","0.0003","25.62","0.001","90","","90","","90","","1915.6","0.13","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Sulfobenzoic acid hydrate","Hydronium hydrogen 2-sulfobenzoate","","- C7 H8 O6 S -","- C7 H8 O6 S -","- C56 H64 O48 S8 -","8","1","KH1131","Ng, Seik Weng","Hydronium 2-Carboxybenzenesulfonate","Acta Crystallographica Section C","1997","53","5","633","634","10.1107/S0108270196015326","","","0.71073","MoKα","","0.0488","0.0393","","0.1121","0.1057","","","","1.032","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006131","5.795","0.004","9.059","0.004","16.081","0.007","84.24","0.04","84.2","0.04","77.85","0.05","818.3","0.8","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 O2 S4 Sb -","- C12 H15 O2 S4 Sb -","- C24 H30 O4 S8 Sb2 -","2","1","MU1305","Blake, Alexander J.; Pearson, Matthew; Sowerby, D. Bryan; Woodhead, Peter P.","Bis(ethylxanthato)phenylantimony(III)","Acta Crystallographica Section C","1997","53","5","583","585","10.1107/S0108270197000620","","","0.71073","MoKα","","0.0225","0.019","","0.0417","0.0392","","","","1.144","1.118","1.118","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006132","8.7641","0.0004","26.785","0.002","12.5316","0.0007","90","","104.412","0.004","90","","2849.2","0.3","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","cis-4-Amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]- 3-methoxy-4-piperidylium}-2-methoxybenzamide tartrate","","- C27 H35 Cl F N3 O10 -","- C27 H35 Cl F N3 O10 -","- C108 H140 Cl4 F4 N12 O40 -","4","2","NA1275","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter","Absolute Configuration of the Double Salt of <i>cis</i>-4-Amino-5-chloro-<i>N</i>-{1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-1-ium-4-yl}-2-methoxybenzamide Tartrate (Cisapride Tartrate)","Acta Crystallographica Section C","1997","53","5","597","599","10.1107/S0108270196015181","","","1.54184","CuKα","","0.0511","0.0415","","0.1092","0.1092","","","","1.032","1.032","1.032","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006133","9.405","0.002","10.195","0.003","20.783","0.006","89.05","0.02","78.86","0.02","79.87","0.02","1924.4","0.9","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H25 Cl3 Cu2 N8 O12 -","- C33 H25 Cl3 Cu2 N8 O12 -","- C66 H50 Cl6 Cu4 N16 O24 -","2","1","NA1277","Bulach, Véronique; Duval, Hugues; Fischer, Jean; Weiss, Raymond","μ-Cyano-bis(2,2':6',2''-terpyridine-<i>N</i>,<i>N</i>',<i>N</i>'')dicopper(II) Perchlorate Acetonitrile, [Cu~2~(CN)(C~15~H~11~N~3~)~2~](ClO~4~)~3~.CH~3~CN","Acta Crystallographica Section C","1997","53","5","543","545","10.1107/S0108270196015570","","","0.71073","MoKα","","0.143","0.049","","0.116","0.07","","","","2.29","1.361","1.361","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006134","10.267","0.001","8.505","0.001","14.996","0.001","90","","96.85","0.01","90","","1300.1","0.2","298","","299","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","3-acetonylbicyclo[6.3.0]undecane-2,6-dione","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","OA1017","Ohba, Shigeru; Umehara, Misao","3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1997","53","5","616","620","10.1107/S0108270196015661","","","0.71073","MoKα","","","0.0605","","","0.0529","","","","","1.16","1.16","","","","","has coordinates","208452","2020-10-21","18:00:00",""
"2006135","9.966","0.002","10.794","0.002","8.171","0.002","98.03","0.02","111.46","0.02","106.98","0.02","751.8","0.3","297","","299","","","","","","","","","3","P -1","-P 1","2","","7-acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","OA1017","Ohba, Shigeru; Umehara, Misao","3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1997","53","5","616","620","10.1107/S0108270196015661","","","0.71073","MoKα","","","0.0537","","","0.047","","","","","1","1","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006136","8.115","0.002","17.959","0.002","9.034","0.002","90","","94.71","0.02","90","","1312.1","0.5","298","","299","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,13-dihydroxy-13-methyltetracyclo[9.3.0.0^2,6^]tetradec-2-ene-4,9-dione","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","OA1017","Ohba, Shigeru; Umehara, Misao","3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1997","53","5","616","620","10.1107/S0108270196015661","","","0.71073","MoKα","","","0.0564","","","0.0538","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006137","8.689","0.002","13.862","0.002","5.96","0.001","94.12","0.01","100.47","0.01","107.7","0.01","666.3","0.2","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C32 H44 O4 -","2","1","OA1017","Ohba, Shigeru; Umehara, Misao","3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6^]tetradec-5-ene-4,10-dione, (IV)","Acta Crystallographica Section C","1997","53","5","616","620","10.1107/S0108270196015661","","","0.71073","MoKα","","","0.0439","","","0.0406","","","","","0.969","0.969","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006138","6.159","0.002","8.332","0.003","23.306","0.002","90","","90.93","0.02","90","","1195.8","0.6","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-o-stilbenecarboxylic acid","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","OA1018","Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki","(<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives","Acta Crystallographica Section C","1997","53","5","620","624","10.1107/S0108270196015673","","","0.71073","MoKα","","","0.0468","","","0.0422","","","","","1.24","1.24","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006139","7.138","0.002","12.036","0.002","14.874","0.002","90","","91.74","0.02","90","","1277.3","0.5","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","p-methyl-(E)-o-stilbenecarboxylic acid","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","OA1018","Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki","(<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives","Acta Crystallographica Section C","1997","53","5","620","624","10.1107/S0108270196015673","","","0.71073","MoKα","","","0.0456","","","0.051","","","","","1.2","1.2","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006140","12.977","0.005","8.023","0.004","25.171","0.003","90","","103.56","0.02","90","","2547.6","1.6","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","p-chloro-(E)-o-stilbenecarboxylic acid","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C120 H88 Cl8 O16 -","8","2","OA1018","Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki","(<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives","Acta Crystallographica Section C","1997","53","5","620","624","10.1107/S0108270196015673","","","0.71073","MoKα","","","0.0505","","","0.0452","","","","","1.23","1.23","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006141","11.361","0.002","5.066","0.003","22.71","0.002","90","","98.45","0.01","90","","1292.9","0.8","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","p-chloro-(E)-o-stilbenecarboxylic acid","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C60 H44 Cl4 O8 -","4","1","OA1018","Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki","(<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives","Acta Crystallographica Section C","1997","53","5","620","624","10.1107/S0108270196015673","","","0.71073","MoKα","","","0.0699","","","0.0531","","","","","1.25","1.25","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006142","11.28","0.002","5.273","0.002","22.462","0.002","90","","103","0.01","90","","1301.8","0.6","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","p-methoxy-(E)-o-stilbenecarboxylic acid","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","OA1018","Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki","(<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives","Acta Crystallographica Section C","1997","53","5","620","624","10.1107/S0108270196015673","","","0.71073","MoKα","","","0.0512","","","0.0463","","","","","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006143","6.0178","0.0006","28.449","0.003","8.0272","0.0009","90","","90","","90","","1374.3","0.3","294","1","294","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-Phenyldibenzophosphole","","- C18 H13 P -","- C18 H13 P -","- C72 H52 P4 -","4","1","QA0001","Meehan, Paul R.; Alyea, Elmer C.; Ferguson, George","5-Phenyldibenzophosphole, Polymorph 2","Acta Crystallographica Section C","1997","53","5","IUC9700001","","10.1107/S0108270197099526","","","0.7107","MolybdenumKα","","0.0909","0.0495","","0.1473","","0.1297","","","0.971","","","1.09","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006144","6.1276","0.0007","12.1791","0.0012","8.9973","0.0012","90","","105.07","0.01","90","","648.36","0.13","294","1","294","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium Hexaaquanickel(II)/Hexaaquairon(II)(0.93/0.07) Sulfate","","- Fe0.07 H12 K2 Ni0.93 O14 S2 -","- Fe0.07 H12 K2 Ni0.93 O14 S2 -","- Fe0.14 H24 K4 Ni1.86 O28 S4 -","2","0.5","QA0002","Ferguson, George; Spalding, Trevor R.; Herlihy, Emmet A.","Dipotassium Hexaaquairon(II) Bis(sulfate)‒Dipotassium Hexaaquanickel(II) Bis(sulfate) (0.07/0.93)","Acta Crystallographica Section C","1997","53","5","IUC9700002","","10.1107/S010827019709954X","","","0.7107","MolybdenumKα","","0.022","0.0204","","0.0572","","0.0567","","","1.176","","","1.197","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006145","8.54","0.0011","5.2249","0.0014","10.2686","0.0008","90","","97.191","0.008","90","","454.59","0.14","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-deoxy-α-L-erythro-pentopyranosyl) 1-(S),2-(S), 4-triazolidine-3,5-dione","","- C7 H11 N3 O5 -","- C7 H11 N3 O5 -","- C14 H22 N6 O10 -","2","1","QB0001","Robinson, Paul D.; Kolb, Vera M.; Colloton, Patricia A.; Meyers, Cal Y.","First Example of a Crystalline Urazole Nucleoside with an <small>L</small>-Configured Sugar. (1<i>S</i>,2<i>S</i>)-Urazole α-<small>L</small>-Pyranosyl-2-deoxyriboside","Acta Crystallographica Section C","1997","53","5","IUC9700003","","10.1107/S0108270197099514","","","0.71069","MoKα","","0.0526","0.0341","","0.1019","","0.0914","","","1.042","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006146","8.804","0.002","14.208","0.001","13.931","0.001","90","","103.57","0.01","90","","1693.9","0.4","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-(2-pyridyl)-4,4,5,5-tetramethyl-4,5-dihydro-[H-imidazolyl-1-oxy 3-oxide)dichlorocopper(II) Bis(methylene chloride) Solvate","","- C26 H36 Cl6 Cu N6 O4 -","- C26 H36 Cl6 Cu N6 O4 -","- C52 H72 Cl12 Cu2 N12 O8 -","2","0.5","QB0002","Ohba, Shigeru; Kato, Takanari; Yoshioka, Naoki; Inoue, Hidenari","Dichlorobis[4,4,5,5-tetramethyl-2-(2-pyridyl)-4,5-dihydro-1<i>H</i>-imidazol-1-yloxy 3-oxide]copper(II) Bis(dichloromethane) Solvate","Acta Crystallographica Section C","1997","53","5","IUC9700004","","10.1107/S0108270197099538","","","0.71073","MoKα","","","0.0417","","","0.0374","","","","","1.18","1.18","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006147","8.94","0.003","14.259","0.004","25.929","0.007","90","","90","","90","","3305.3","1.7","158","2","158","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,3-Dimethyl-1,8,11-triaza-5-azoniumcyclotridecane Perchlorate Water.","","- C11 H29 Cl N4 O5 -","- C11 H29 Cl N4 O5 -","- C88 H232 Cl8 N32 O40 -","8","1","SK1026","Gladkikh, Olga P.; Curtis, Neil F.; Turnbull, Mark M.","A 13-Membered Cyclic Tetraamine Salt: 12,12-Dimethyl-4,7,10-triaza-1-azoniacyclotridecane Perchlorate Hydrate","Acta Crystallographica Section C","1997","53","5","586","587","10.1107/S0108270196015193","","","0.71073","MoKα","","0.0777","0.0468","","0.1115","0.1039","","","","0.878","1.067","1.067","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006148","13.798","0.005","20.533","0.009","13.85","0.006","90","","104.5","0.03","90","","3799","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(triphenylphospine)1,1,2,3,3-pentacyanpropenide copper(I)","","- C88 H60 Cu2 N10 P4 -","- C88 H60 Cu2 N10 P4 -","- C176 H120 Cu4 N20 P8 -","2","0.5","SK1037","Dvorský, Andrej; Kožíšek, Jozef; Jäger, Lothar; Tretner, Carola","Bis[(1,1,2,3,3-pentacyanopropenido-<i>N</i>^1^:<i>N</i>^2^)bis(triphenylphosphine-<i>P</i>)copper(I)]","Acta Crystallographica Section C","1997","53","5","556","559","10.1107/S0108270196015211","","","0.71073","MoKα","","0.1307","0.0436","","0.1034","0.0815","","","","0.907","1.074","1.074","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006149","6.811","0.002","11.079","0.002","14.907","0.002","91.82","0.03","96.53","0.03","105.41","0.03","1075.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C46 H44 N4 O8 S2 -","2","1","SK1039","Işık, Şamil; Aygün, Muhittin; Şaşmaz, Selami; Kendi, Engin; Büyükgüngör, Orhan; Erdönmez, Ahmet","5-Allyl-3-methoxy-2-(<i>p</i>-tolylsulfonyloxy)azobenzene","Acta Crystallographica Section C","1997","53","5","593","594","10.1107/S0108270196011596","","","0.71069","MoKα","","0.0534","0.044","","0.1234","0.117","","","","1.063","1.092","1.092","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006150","7.812","0.001","12","0.001","17.161","0.001","78.92","0.02","84.32","0.02","72.23","0.02","1502","0.3","293","3","293","3","","","","","","","","5","P -1","-P 1","2","","1:1:1 methanol . [2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine] . [4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzene-sulfonamide]","","- C27 H36 N8 O6 S -","- C27 H36 N8 O6 S -","- C54 H72 N16 O12 S2 -","2","1","SK1047","Bettinetti, Giampiero; Sardone, Nicola","Methanol Solvate of the 1:1 Molecular Complex of Trimethoprim and Sulfadimidine","Acta Crystallographica Section C","1997","53","5","594","597","10.1107/S0108270196014783","","","1.54184","CuKα","","0.044","0.042","","","0.041","","","","","0.632","0.632","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006151","15.543","0.002","14.025","0.001","14.676","0.005","90","","112.42","0.02","90","","2957.4","1.2","292","","292","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Hexakis(Thiourea)cadmium perrhenate monohydrate","","- C6 H26 Cd N12 O9 Re2 S6 -","- C6 H26 Cd N12 O9 Re2 S6 -","- C24 H104 Cd4 N48 O36 Re8 S24 -","4","0.5","SK1053","Rosica Petrova; Olyana Angelova; Josef Macíček","Molecular Adducts of Inorganic Salts. VII. Cadmium Tetraoxorhenium Hexakis(thiourea) Hydrate","Acta Crystallographica Section C","1997","53","5","565","568","10.1107/S0108270196015107","","","0.71073","MoKα","","0.068","0.032","","0.035","0.035","","","","1.264","1.286","1.286","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006152","10.338","0.002","8.687","0.002","10.756","0.002","90","","95.05","0.01","90","","962.2","0.3","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","SK1068","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K","Acta Crystallographica Section C","1997","53","5","523","526","10.1107/S0108270196014205","","","0.71073","MoKα","","0.0208","0.0175","","0.0479","0.0464","","","","0.984","0.994","0.994","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006153","10.215","0.003","8.697","0.004","10.748","0.003","90","","95.41","0.02","90","","950.6","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) chloride","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","0.5","SK1068","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K","Acta Crystallographica Section C","1997","53","5","523","526","10.1107/S0108270196014205","","","0.71073","MoKα","","0.0174","0.0152","","0.0379","0.0372","","","","1.106","1.124","1.124","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006154","10.68","0.003","8.838","0.004","10.99","0.003","90","","94.7","0.02","90","","1033.9","0.6","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) bromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","SK1068","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K","Acta Crystallographica Section C","1997","53","5","523","526","10.1107/S0108270196014205","","","0.71073","MoKα","","0.0395","0.0214","","0.0522","0.049","","","","1.036","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006155","10.575","0.002","8.815","0.005","10.97","0.002","90","","94.97","0.02","90","","1018.8","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","nitropentaammine Co(III) bromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","SK1068","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K","Acta Crystallographica Section C","1997","53","5","523","526","10.1107/S0108270196014205","","","0.71073","MoKα","","0.0294","0.0188","","0.0485","0.0465","","","","1.1","1.156","1.156","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006156","12.736","0.005","12.911","0.002","9.805","0.002","102.62","0.01","100.02","0.02","71.58","0.02","1483.1","0.7","294","","294","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H28 Cu F6 N4 O8 S2 -","- C23 H28 Cu F6 N4 O8 S2 -","- C46 H56 Cu2 F12 N8 O16 S4 -","2","1","SK1069","Alilou, El Houssine; El Hallaoui, Abdelilah; El Ghadraoui, El Houssine; Giorgi, Michel; Pierrot, Marcel; Réglier, Marius","Two TEPA‒Copper(II) Complexes {TEPA is Tris[2-(2-pyridyl)ethyl]amine}","Acta Crystallographica Section C","1997","53","5","559","562","10.1107/S0108270196015223","","","0.71073","MoKα","","0.137","0.05","","","0.05","","","","","1.319","1.319","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006157","18.168","0.002","7.867","0.002","21.908","0.003","90","","125.58","0.04","90","","2546.7","1.5","294","","294","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cu F6 N4 O2 P -","- C23 H27 Cu F6 N4 O2 P -","- C92 H108 Cu4 F24 N16 O8 P4 -","4","1","SK1069","Alilou, El Houssine; El Hallaoui, Abdelilah; El Ghadraoui, El Houssine; Giorgi, Michel; Pierrot, Marcel; Réglier, Marius","Two TEPA‒Copper(II) Complexes {TEPA is Tris[2-(2-pyridyl)ethyl]amine}","Acta Crystallographica Section C","1997","53","5","559","562","10.1107/S0108270196015223","","","0.71073","MoKα","","0.081","0.075","","","0.098","","","","","3.208","3.208","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"2006158","14.814","0.003","9.623","0.002","7.309","0.002","90","","90","","90","","1041.9","0.4","290","","290","","","","","","","","","5","P n a m","-P 2c 2n","62","","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","SK1070","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Chloride Nitrate at 290K and 150K","Acta Crystallographica Section C","1997","53","5","526","528","10.1107/S0108270196014217","","","0.71073","MoKα","","0.0407","0.024","","0.0674","0.0623","","","","0.993","1.051","1.051","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006159","14.726","0.005","9.646","0.007","7.219","0.003","90","","90","","90","","1025.4","0.9","150","","150","","","","","","","","","5","P n a m","-P 2c 2n","62","","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","SK1070","Boldyreva, Elena V.; Kivikoski, Jussi; Howard, J. A. K.","Pentaamminenitrocobalt(III) Chloride Nitrate at 290K and 150K","Acta Crystallographica Section C","1997","53","5","526","528","10.1107/S0108270196014217","","","0.71073","MoKα","","0.0374","0.0233","","0.0619","0.057","","","","1.042","1.089","1.089","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006160","9.7232","0.0011","9.2506","0.0013","10.6178","0.0013","90","","90","","90","","955","0.2","130","1","130","1","","","","","","","","5","P n a 21","P 2c -2n","33","","N-butylthiophen-3-carboxamide","","- C9 H13 N O S -","- C9 H13 N O S -","- C36 H52 N4 O4 S4 -","4","1","SK1076","Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H.","<i>N</i>-Butylthiophene-3-carboxamide and 2-Benzylseleno-<i>N</i>-butylthiophene-3-carboxamide at 130K","Acta Crystallographica Section C","1997","53","5","641","644","10.1107/S0108270196015788","","","1.5418","CuKα(nickelfiltered)","","0.0363","0.036","","0.1045","0.1042","","","","1.072","1.077","1.077","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006161","8.4701","0.0009","21.624","0.002","9.34","0.0009","90","","114.497","0.008","90","","1556.7","0.3","130","1","130","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-benzylseleno-N-butylthiophen-3-carboxamide","","- C16 H19 N O S Se -","- C16 H19 N O S Se -","- C64 H76 N4 O4 S4 Se4 -","4","1","SK1076","Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H.","<i>N</i>-Butylthiophene-3-carboxamide and 2-Benzylseleno-<i>N</i>-butylthiophene-3-carboxamide at 130K","Acta Crystallographica Section C","1997","53","5","641","644","10.1107/S0108270196015788","","","1.5418","CuKα(nickelfiltered)","","0.0303","0.0293","","0.0777","0.0771","","","","1.169","1.176","1.176","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006162","8.467","0.002","11.154","0.002","9.654","0.002","90","","92.24","0.02","90","","911","0.3","295","","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","1α,5α-Dihydroxymanoyl oxide","","- C20 H34 O3 -","- C20 H34 O3 -","- C40 H68 O6 -","2","1","SX1001","Manríquez, V.; Labbé, C.; Castillo, M.; Wittke, O.","1α,5α-Dihydroxymanoyl Oxide, a Novel Diterpene from <i>Satureja gilliesii</i>","Acta Crystallographica Section C","1997","53","5","624","626","10.1107/S0108270197000048","","","0.71073","MoKα","","0.0487","0.038","","0.0441","0.0423","","","","","1.24","1.24","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006163","10.356","0.002","15.35","0.003","13.394","0.003","90","","96.38","0.04","90","","2116","0.8","293","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 N5 O11 -","- C20 H17 N5 O11 -","- C80 H68 N20 O44 -","4","1","TA1106","In, Yasuko; Nagata, Hiroomi; Doi, Mitsunobu; Ishida, Toshimasa; Wakahara, Akio","Anthranilic Acid‒Picric Acid (2/1) Complex","Acta Crystallographica Section C","1997","53","5","646","648","10.1107/S0108270196011262","","","1.5418","CuKα","","","0.059","","","0.067","","","","","1.7187","1.7187","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006164","7.405","0.002","18.481","0.002","8.1246","0.0009","90","","111.14","0.01","90","","1037","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(n-butyl)-3,4-dibromomaleimide","","- C8 H9 Br2 N O2 -","- C8 H9 Br2 N O2 -","- C32 H36 Br8 N4 O8 -","4","1","TA1129","Chen, Wei; Yang, Jia-xiang; Bai, Zhi-ping; Wang Zou-xiang; You Xiao-zeng","<i>N</i>-(<i>n</i>-Butyl)-3,4-dibromomaleimide","Acta Crystallographica Section C","1997","53","5","631","633","10.1107/S0108270197000024","","","0.71073","MoKα","","0.0713","0.0456","","0.1095","0.0983","","","","1.092","1.15","1.15","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006165","11.857","0.006","3.66","0.002","10.909","0.006","90","","100.43","0.04","90","","465.6","0.4","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","","","","","- Li2 O13 V6 -","- Li2 O13 V6 -","- Li4 O26 V12 -","2","0.25","TA1132","Bergström, Örjan; Gustafsson, Torbjörn; Thomas, John O.","Electrochemically Lithiated Vanadium Oxide, Li~2~V~6~O~13~","Acta Crystallographica Section C","1997","53","5","528","530","10.1107/S0108270196015235","","","0.7107","MolybdenumKα","","0.04","0.04","","0.055","0.055","","","","2.69","2.69","2.69","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006166","12.333","0.002","7.146","0.001","10.885","0.001","90","","111.57","0.01","90","","892.1","0.2","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- O3 Si Sr -","- O3 Si Sr -","- O36 Si12 Sr12 -","12","1.5","TA1133","Nishi, Fumito","Strontium Metasilicate, SrSiO~3~","Acta Crystallographica Section C","1997","53","5","534","536","10.1107/S0108270196015338","","","0.71073","MoKα","","","0.056","","","0.067","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006167","9.844","0.007","3.901","0.003","17.245","0.015","90","","93.17","0.06","90","","661.2","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","MTNPH","5-methylthiophenecarboxaldehyde-4-nitrophenylhydrazone monohydrate","","- C12 H13 N3 O3 S -","- C12 H13 N3 O3 S -","- C24 H26 N6 O6 S2 -","2","1","AB1423","Wong, Man Shing; Gramlich, Volker; Pan, Feng; Bosshard, Christian; Günter, Peter","5-Methylthiophene-2-carboxaldehyde 4-Nitrophenylhydrazone‒Water (1/1)","Acta Crystallographica Section C","1997","53","6","757","759","10.1107/S0108270197002552","","","0.71073","MoKα","","0.0943","0.0385","","0.0815","0.0748","","","","0.674","0.996","0.996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006168","12.231","0.002","13.643","0.003","7.733","0.003","90","","90","","90","","1290.4","0.6","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","AB1426","Kennedy, Alan R.; Khalaf, Abedawn I.","<i>N</i>,<i>N</i>-Diacetyl-2,5-dimethyl-6-nitroaniline","Acta Crystallographica Section C","1997","53","6","744","746","10.1107/S0108270197002564","","","0.71069","MoKα","","0.1372","0.0682","","0.0537","0.0456","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006169","7.473","0.0011","8.286","0.0011","17.527","0.002","90","","90","","90","","1085.3","0.2","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Benzo[b]thien-2-yl-5,6-dihydro-1,4,2-oxathiazine, 4-oxide","","- C11 H9 N O2 S2 -","- C11 H9 N O2 S2 -","- C44 H36 N4 O8 S8 -","4","1","AB1427","Gallagher, John F.; Ferguson, George; Brouwer, Walter G.","3-(Benzo[<i>b</i>]thien-2-yl)-5,6-dihydro-1,4,2-oxathiazine 4-Oxide","Acta Crystallographica Section C","1997","53","6","823","825","10.1107/S0108270196014539","","","0.7107","MolybdenumKα","","0.0307","0.0257","","0.0732","0.0714","","","","1.06","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006170","11.065","0.001","5.614","0.002","24.225","0.002","90","","90.728","0.006","90","","1504.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-chlorobenzyl)-2-(1H-imidazol-1-ylmethyl)aniline","","- C17 H16 Cl N3 -","- C17 H16 Cl N3 -","- C68 H64 Cl4 N12 -","4","1","AB1428","Ettorre, Alessandro; Biava, Mariangela; Fioravanti, Rossella; Porretta, Giulio Cesare","The Antifungal Agent 1-[2-(4-Chlorobenzylamino)benzyl]-1<i>H</i>-imidazole","Acta Crystallographica Section C","1997","53","6","761","762","10.1107/S0108270197000784","","","1.54178","CuKα","","","0.0441","","0.1531","0.1531","","","","0.657","0.657","0.657","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006171","8.111","0.002","6.146","0.001","10.242","0.001","90","","103.19","0.01","90","","497.1","0.16","293","","293.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","meso-3,3'-bi(1,2,4-trithiacyclohex-5-enyl)","","","- C6 H6 S6 -","- C6 H6 S6 -","- C12 H12 S12 -","2","0.5","AB1429","Shimizu, Toshio; Iwata, Kazuko; Kondo, Mitsuru; Kitagawa, Susumu; Kamigata, Nobumasa","<i>meso</i>-3,3'-Bi(1,2,4-trithiacyclohex-5-enyl)","Acta Crystallographica Section C","1997","53","6","748","749","10.1107/S0108270197002230","","","0.7107","MoKα","","","0.0286","","","0.0345","","","","","3.901","3.901","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006172","6.1863","0.0002","12.5481","0.0004","19.8831","0.0006","90","","90","","90","","1543.45","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-leucyl-L-alanine tetrahydrate","","- C9 H26 N2 O7 -","- C9 H26 N2 O7 -","- C36 H104 N8 O28 -","4","1","AB1443","Görbitz, Carl Henrik","Cyclic Water Pentamers in <small>L</small>-Leucyl-<small>L</small>-alanine Tetrahydrate","Acta Crystallographica Section C","1997","53","6","736","739","10.1107/S0108270196015946","","","0.71073","MoKα","","0.0455","0.038","","0.0905","0.0857","","","","1.142","1.137","1.137","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006173","11.959","0.003","14.696","0.004","20.203","0.004","90","","91.54","0.02","90","","3549.4","1.5","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{7,8-μ-thiobenzate}-{7,11-μ-thiobenzate}-10-(triphenylphosphine)- nido-7-nickelaundecaborane","","- C32 H33 B10 Ni O2 P S2 -","- C32 H33 B10 Ni O2 P S2 -","- C128 H132 B40 Ni4 O8 P4 S8 -","4","1","AB1444","Dou, Jian-Min; Hu, Chun-Hua; Yao, Hai-Jun; Li, Wen; Jin, Ruo-Shui; Zheng, Pei-Ju","A Cycloboronated Nickelaundecaborane: [(PhCOS)~2~NiB~10~H~8~(PPh~3~)]","Acta Crystallographica Section C","1997","53","6","693","695","10.1107/S0108270197002242","","","0.71073","MoKα","","0.0639","0.0321","","0.106","0.0857","","","","1.065","1.042","1.042","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006174","11.043","0.005","15.524","0.003","23.016","0.003","90","0.02","91.28","0.02","90","0.03","3945","2","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2,7-μ-thiobenzoate}-{3,7-μ-thiobenzoate}-7-(triphenyl-phosphine)-nido- 7-nickelaundecaborane","","- C36 H42 B10 Ni O2 P S2 -","- C35 H35 B10 Ni O2 P S2 -","- C140 H140 B40 Ni4 O8 P4 S8 -","4","1","AB1447","Chun-Hua Hu; Jian-Min Dou; Hai-Jun Yao; Wen Li; Ruo-Shui Jin; Pei-Ju Zheng","<i>ortho</i>-Cycloboronation of a Thiobenzoate Cluster: [(PPh~3~)(PhCṟidge{OS)_{2}NiB}{12.5mm}~10~H~10~].0.5C~6~H~14~","Acta Crystallographica Section C","1997","53","6","695","697","10.1107/S0108270197002254","","","0.71073","MoKα","","0.074","0.0428","","0.1578","0.1253","","","","0.986","0.936","0.936","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006175","9.054","0.005","11.467","0.004","8.512","0.003","110.66","0.03","109.01","0.04","76.51","0.04","774.8","0.6","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","N-acridinium-9-yl-N'-propylidenehydrazine thiocyanate","","- C17 H16 N4 S -","- C17 H16 N4 S -","- C34 H32 N8 S2 -","2","1","AB1449","Linden, Anthony; Guspanová, Jana; Bernát, Juraj; Kristian, Pavol","9-Propylidenehydrazino-10-acridinium Thiocyanate at 173K","Acta Crystallographica Section C","1997","53","6","732","734","10.1107/S010827019700108X","","","0.71069","MoKα","","0.0923","0.0524","","0.0556","0.0526","","","","","2.145","2.145","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006176","16.178","0.002","16.178","0.002","12.462","0.003","90","","90","","90","","3261.7","1","160","2","160","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","benzyltrimethylammonium tetramethoxyborate","","- C14 H28 B N O4 -","- C14 H28 B N O4 -","- C112 H224 B8 N8 O32 -","8","1","AB1461","Clegg, William; Errington, R. John; Carmalt, Claire J.","Benzyltrimethylammonium Tetramethoxoborate","Acta Crystallographica Section C","1997","53","6","751","753","10.1107/S0108270197003508","","","0.71073","MoKα","","0.0898","0.0496","","0.1423","0.1125","","","","1.033","1.009","1.009","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006177","10.969","0.002","20.492","0.004","11.637","0.002","90","","99.13","0.01","90","","2582.6","0.8","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorobis(1,10-phenanthroline-N1,N10)cobalt(II) Acetonitrile sesquisolvate","","- C27 H20.5 Cl2 Co N5.5 -","- C27 H16 Cl2 Co N5.5 -","- C108 H64 Cl8 Co4 N22 -","4","1","AB1462","Alan Hazell; John McGinley; Christine J. McKenzie","Dichlorobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')cobalt(II)‒Acetonitrile (1/1.5)","Acta Crystallographica Section C","1997","53","6","723","725","10.1107/S0108270197004150","","","0.71073","MoKα","","","0.045","","","0.056","","","","","1.176","1.176","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006178","13.811","0.002","14.0419","0.0015","22.409","0.003","90","","97.391","0.011","90","","4309.7","1","294","1","294","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","9,12-dibromo-3,3-bis(triphenylphosphine-P)-1,2-dicarba-3-hydrido-3-rhoda- closo-dodecaborane‒dichloromethane(1/1)","","- C39 H42 B9 Br2 Cl2 P2 Rh -","- C39 H42 B9 Br2 Cl2 P2 Rh -","- C156 H168 B36 Br8 Cl8 P8 Rh4 -","4","1","AB1472","McEneaney, Patricia A.; Spalding, Trevor R.; Meehan, Paul R.; Ferguson, George","9,12-Dibromo-3,3-bis(triphenylphosphine-<i>P</i>)-1,2-dicarba-3-hydrido-3-rhoda-<i>closo</i>-dodecaborane‒Dichloromethane (1/1)","Acta Crystallographica Section C","1997","53","6","685","687","10.1107/S0108270197003715","","","0.7107","MolybdenumKα","","0.1302","0.0656","","0.1346","","0.1152","","","0.919","","","1.099","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006179","11.437","0.002","7.579","0.001","17.335","0.002","90","","95.09","0.03","90","","1496.7","0.4","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cl4 N2 O -","- C14 H8 Cl4 N2 O -","- C56 H32 Cl16 N8 O4 -","4","1","AB1474","Clegg, William; Elsegood, Mark R. J.; Jackson, Richard F. W.; Fraser, Joanne L.; Emsden, Lee J.","<i>N</i>-(2,3,5,6-Tetrachloropyrid-4-yl)cinnamide","Acta Crystallographica Section C","1997","53","6","797","799","10.1107/S0108270197004162","","","0.71073","MoKα","","0.057","0.0464","","0.1267","0.1177","","","","1.061","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006180","32.403","0.006","7.668","0.002","14.127","0.003","90","","109.2","0.03","90","","3314.8","1.4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-Methylbenzothiazole-2(3H)-selone","","- C8 H7 N S Se -","- C8 H7 N S Se -","- C128 H112 N16 S16 Se16 -","16","2","AV1002","Husebye, Steinar; Lindeman, Sergey V.; Rudd, Martin D.","<i>N</i>-Methylbenzothiazole-2(3<i>H</i>)-selone, C~8~H~7~NSSe","Acta Crystallographica Section C","1997","53","6","809","811","10.1107/S0108270197000309","","","0.71069","MoKα","","0.0895","0.0529","","0.1648","0.1244","","","","1.091","1.085","1.085","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006181","25.372","0.001","25.372","0.001","12.726","0.002","90","","90","","90","","8192.2","1.4","183","2","183","2","","","","","","","","7","P 43","P 4cw","78","","","","- C40 H32 F12 N7 O0.5 P2 Ru -","- C40 H32 F12 N7 O0.5 P2 Ru -","- C320 H256 F96 N56 O4 P16 Ru8 -","8","2","BK1256","Maloney, David J.; MacDonnell, Frederick M.","Λ-Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')ruthenium(II) Bis(hexafluorophosphate)‒Acetonitrile‒Diethyl Ether (1/1/0.5)","Acta Crystallographica Section C","1997","53","6","705","707","10.1107/S0108270197001091","","","0.71073","MoKα","","0.01","0.063","","0.16","0.139","","","","1.04","1.07","1.07","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006182","24.612","0.002","3.8302","0.0004","8.501","0.0005","90","","90","","90","","801.38","0.12","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","Theophylline","3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","BK1284","Ebisuzaki, Yukiko; Boyle, Paul D.; Smith, Jennifer A.","Methylxanthines. I. Anhydrous Theophylline","Acta Crystallographica Section C","1997","53","6","777","779","10.1107/S0108270197001960","","","0.71073","MolybdenumKα","","0.053","0.053","","0.056","0.056","","","","","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006183","10.199","0.002","6.543","0.001","18.145","0.003","90","","104.77","0.01","90","","1170.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cd N2 O3 S2 -","- C10 H8 Cd N2 O3 S2 -","- C40 H32 Cd4 N8 O12 S8 -","4","1","BK1303","Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa","(2,2'-Bipyridine-<i>N</i>,<i>N</i>')(μ-thiosulfato)cadmium(II)","Acta Crystallographica Section C","1997","53","6","727","729","10.1107/S0108270197001972","","","0.71073","MoKα","","0.0286","0.022","","0.0534","0.0506","","","","1.067","1.084","1.084","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006184","11.049","0.001","4.7982","0.0009","22.682","0.001","90","","90.108","0.006","90","","1202.5","0.3","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,8-bis(hydroxymethyl)anthracene","1,8-bis(hydroxymethyl)anthracene","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","BK1309","Aumiller, Wade D.; Gerkin, Roger E.","1,8-Bis(hydroxymethyl)anthracene","Acta Crystallographica Section C","1997","53","6","769","771","10.1107/S0108270197001108","","","0.71073","MoKα","","","0.06","","","0.06","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006185","7.4948","0.0003","11.5989","0.0006","27.147","0.003","90","","90","","90","","2359.9","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,3-benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione.H~2O. picrate complex","","- C20 H24 N6 O12 -","- C20 H24 N6 O12 -","- C80 H96 N24 O48 -","4","1","BM1115","Hundal, Geeta; Kumar, Subodh; Hundal, Maninder Singh; Singh, Harjit; Sanz-Aparicio, Julia; Martinez-Ripoll, Martin","10<i>H</i>^+^-2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione Picrate Hydrate (1/1/1)","Acta Crystallographica Section C","1997","53","6","799","801","10.1107/S0108270196015041","","","1.5418","CuKα","","0.045","0.0399","","0.1071","0.0997","","","","1.089","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006186","9.854","0.004","6.352","0.004","19.372","0.006","90","","90.52","0.03","90","","1212.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methylhexamethylenetetramine fluoride tetrahydrate","","- C7 H23 F N4 O4 -","- C7 H23 F N4 O4 -","- C28 H92 F4 N16 O16 -","4","1","BM1129","Nightingale, David J.; Cronin, Leroy; Clark, James H.","Methylhexamethylenetetramine Fluoride Tetrahydrate, MeHMTAF.4H~2~O","Acta Crystallographica Section C","1997","53","6","789","791","10.1107/S0108270197000541","","","0.71069","MoKα","","0.2852","0.0828","","0.2541","0.1769","","","","0.993","1.301","1.301","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2006187","8.648","0.004","11.561","0.008","8.189","0.004","90","","114.43","0.04","90","","745.4","0.8","220","0.2","220","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","BM1136","Clelland, Iain C.; McNab, Hamish; Parsons, Simon","α-Formylphenylacetonitrile in the Solid State at 220K","Acta Crystallographica Section C","1997","53","6","807","809","10.1107/S0108270197002382","","","1.54178","CuKα","","0.0454","0.0359","","0.0976","0.0922","","","","1.045","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006188","6.107","0.001","17.653","0.004","14.448","0.003","90","","94.8","0.03","90","","1552.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Chloro-penta(ammine)]cobalt(III) [(hydroxy)(nitroso)tetra(nitro)]ruthenoate","","- Cl Co H16 N10 O10 Ru -","- Cl Co H16 N10 O10 Ru -","- Cl4 Co4 H64 N40 O40 Ru4 -","4","1","BR1156","Belsky, Vitaly K.; Kokunova, Vera N.","Pentaamminechlorocobalt(III) Hydroxotetranitronitrosylruthenate(III)","Acta Crystallographica Section C","1997","53","6","659","661","10.1107/S0108270196014631","","","0.71069","MoKα","","0.0198","0.0198","","0.0557","0.0557","","","","1.088","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006189","9.091","0.001","5.231","0.001","5.57","0.001","90","","90.94","0.01","90","","264.85","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Magnesium hydrogen selenite","Magnesium bis[hydrogentrioxoselenate(IV)]","","- H2 Mg O6 Se2 -","- H2 Mg O6 Se2 -","- H4 Mg2 O12 Se4 -","2","0.5","BR1165","Boldt, Kai; Engelen, Bernward; Unterderweide, Klaus","A New Acid Selenite: Mg(HSeO~3~)~2~","Acta Crystallographica Section C","1997","53","6","666","668","10.1107/S0108270197000462","","","0.71069","MoKα","","0.0366","0.0235","","0.056","0.0547","","","","1.184","1.262","1.262","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006190","6.0341","0.0004","6.0341","0.0004","7.7888","0.0006","90","","90","","90","","283.59","0.03","295","","295","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cr2 Cu O4 -","- Cr2 Cu O4 -","- Cr8 Cu4 O16 -","4","0.125","BR1169","W.A. Dollase; H.St.C. O'Neill","The Spinels CuCr~2~O~4~ and CuRh~2~O~4~","Acta Crystallographica Section C","1997","53","6","657","659","10.1107/S0108270197000486","","","1.54184","CuKα","","","","","","","","","","1.36","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006191","6.1756","0.0005","6.1756","0.0005","7.9006","0.0006","90","","90","","90","","301.31","0.04","295","","295","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cu O4 Rh2 -","- Cu O4 Rh2 -","- Cu4 O16 Rh8 -","4","0.125","BR1169","W.A. Dollase; H.St.C. O'Neill","The Spinels CuCr~2~O~4~ and CuRh~2~O~4~","Acta Crystallographica Section C","1997","53","6","657","659","10.1107/S0108270197000486","","","1.54184","CuKα","","","","","","","","","","2.12","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006192","19.903","0.006","13.757","0.005","10.966","0.004","90","","90.39","0.02","90","","3002.5","1.8","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","Asperchrome A","","","- C41 H92 Fe N9 O30 -","- C41 H92 Fe N9 O30 -","- C82 H184 Fe2 N18 O60 -","2","1","BS1004","Hossain, M. Bilayet; Jalal, Mahbubul A. F.; van der Helm, Dick","6-<small>L</small>-Alanineferrirubin, a Ferrichrome-type Siderophore from the Fungus <i>Aspergillus ochraceous</i>","Acta Crystallographica Section C","1997","53","6","716","718","10.1107/S0108270196015909","","","0.71073","MoKα","","0.0783","0.0648","","0.183","0.1628","","","","1.061","1.079","1.079","","","","","has coordinates","199470","2020-10-21","18:00:00",""
"2006193","19.244","0.003","8.882","0.001","9.736","0.002","90","","103.99","0.01","90","","1614.8","0.5","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ferrocenylbenzonitrile","","","- C20 H19 Fe N O -","- C20 H19 Fe N O -","- C80 H76 Fe4 N4 O4 -","4","1","BS1011","Zhang, Hongming; Lu, Yingchun; Biehl, Ed","2-(Ferrocenylmethyl)-6-methoxy-3-methylbenzonitrile and 10-(Ferrocenylmethyl)phenanthrene-9-carbonitrile","Acta Crystallographica Section C","1997","53","6","720","723","10.1107/S0108270196015958","","","0.71073","MoKα","","0.0527","0.0367","","0.1068","0.0919","","","","1.063","1.102","1.102","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006194","12.328","0.003","19.923","0.005","7.71","0.002","90","","96.63","0.02","90","","1881","0.8","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ferrocenylphenanthrenecarbonitrile","","","- C26 H19 Fe N -","- C26 H19 Fe N -","- C104 H76 Fe4 N4 -","4","1","BS1011","Zhang, Hongming; Lu, Yingchun; Biehl, Ed","2-(Ferrocenylmethyl)-6-methoxy-3-methylbenzonitrile and 10-(Ferrocenylmethyl)phenanthrene-9-carbonitrile","Acta Crystallographica Section C","1997","53","6","720","723","10.1107/S0108270196015958","","","0.71073","MoKα","","0.0992","0.0501","","0.1294","0.1007","","","","1.027","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006195","7.39","0.001","12.49","0.002","19.223","0.003","90","","91.75","0.01","90","","1773.5","0.5","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","BS1017","Kennedy, Alan R.; Kerr, William J.; McKendry, Sharon","4-Cyclohexanespiro{3-[2-methoxy-2-(2,6-dimethoxyphenyl)ethenyl]oxetan-2-one}","Acta Crystallographica Section C","1997","53","6","746","748","10.1107/S0108270197001418","","","0.71069","MoKα","","0.1305","0.0605","","0.0617","0.0539","","","","","1.517","1.517","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006196","11.364","0.003","11.372","0.003","11.668","0.004","76.13","0.02","89.66","0.03","65.21","0.02","1321.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Dichloro-tetrabiphenylcarboxylate-dirhenium","Dichloro tetrakis(μ~2~-2-biphenylcarboxylato) dirhenium(III) - dichloromethane solvate","","- C54 H40 Cl6 O8 Re2 -","- C54 H40 Cl6 O8 Re2 -","- C54 H40 Cl6 O8 Re2 -","1","0.5","BS1024","Cotton, F. Albert; Daniels, Lee M.; Liu, Jian; Ren, Tong","Tetrakis(μ-2-biphenylcarboxylato-<i>O</i>:<i>O</i>')bis[chlororhenium(III)] Bis(dichloromethane) Solvate","Acta Crystallographica Section C","1997","53","6","714","716","10.1107/S0108270197001480","","","1.54184","CuKα","","0.0338","0.0314","","0.0842","0.0826","","","","1.079","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006198","16.179","0.002","10.992","0.002","16.695","0.002","90","","106.42","0.01","90","","2847.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,6,10,12-tetraphenyl-1,3-dithia-7,9-dioxacyclododecane","","- C32 H32 O2 S2 -","- C32 H32 O2 S2 -","- C128 H128 O8 S8 -","4","1","CF1105","Llorca, Jordi; Molins, Elies; Flores-Vela, Abelardo; Cruz-Sanchez, Samuel; Juaristi, Eusebio","4,6,10,12-Tetraphenyl-7,9-dioxa-1,3-dithiacyclododecane","Acta Crystallographica Section C","1997","53","6","816","818","10.1107/S0108270197000759","","","0.71069","MoKα","","0.1996","0.0457","","0.1828","0.1363","","","","0.684","0.807","0.807","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006199","8.002","0.005","12.286","0.002","17.38","0.004","90","","91.1","0.02","90","","1708.4","1.2","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","9-oxo-2-phenoxy-1,3,8,10-tetraaza-2λ^5^- phosphatricyclo[8.4.0.0^3,8^]tetradecane-2-sulfide","","- C15 H21 N4 O2 P S -","- C15 H21 N4 O2 P S -","- C60 H84 N16 O8 P4 S4 -","4","1","CF1146","Engelhardt, Udo; Rosefid, Mehdi","A Tricyclic Phosphorus(V)‒Hydrazine System with Twist Conformation of the Central Heterocycle","Acta Crystallographica Section C","1997","53","6","773","775","10.1107/S0108270196014898","","","0.71069","MoKα","","0.067","0.048","","0.03","0.029","","","","2.48","2.8","2.8","","","","","has coordinates","190439","2020-10-21","18:00:00",""
"2006200","11.344","0.001","7.437","0.001","15.542","0.002","90","","108.39","0.01","90","","1244.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H11 F N2 S -","- C15 H11 F N2 S -","- C60 H44 F4 N8 S4 -","4","1","CF1149","Bruno, Giuseppe; Grasso, Silvana; Monforte, Pietro; Nicoló, Francesco; Scopelliti, Rosario","1-(2-Fluorophenyl)-and 1-(3-Fluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","1997","53","6","764","767","10.1107/S0108270197000760","","","0.71073","MoKα","","0.0414","0.0288","","0.075","0.0721","","","","0.933","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006201","11.249","0.001","7.421","0.001","15.867","0.002","90","","107.56","0.01","90","","1262.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H11 F N2 S -","- C15 H11 F N2 S -","- C60 H44 F4 N8 S4 -","4","1","CF1149","Bruno, Giuseppe; Grasso, Silvana; Monforte, Pietro; Nicoló, Francesco; Scopelliti, Rosario","1-(2-Fluorophenyl)-and 1-(3-Fluorophenyl)-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole","Acta Crystallographica Section C","1997","53","6","764","767","10.1107/S0108270197000760","","","0.71073","MoKα","","0.0455","0.0347","","0.1011","0.0977","","","","1.049","1.171","1.171","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006202","9.193","0.0004","9.9973","0.0009","11.1516","0.0008","90","","90","","90","","1024.89","0.13","293","2","293","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- Mo8 O14 Sm -","- Mo8 O14 Sm -","- Mo32 O56 Sm4 -","4","","DU1168","Tortelier, J.; Gougeon, P.","SmMo~8~O~14~","Acta Crystallographica Section C","1997","53","6","668","671","10.1107/S0108270196015533","","","0.71073","MoKα","","0.0232","0.0202","","0.046","0.0453","","","","1.285","1.299","1.299","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006203","12.5928","0.0007","10.6943","0.001","16.0674","0.0005","90","","93.168","0.003","90","","2160.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5,7-dichlorokynurenic acid hydrate","4-oxo-1,4-dihydro-5,7-dichloroquinoline-2-carboxylic acid hydrate","","- C10 H7 Cl2 N O4 -","- C10 H7 Cl2 N O4 -","- C80 H56 Cl16 N8 O32 -","8","1","FG1216","Kubicki, Maciej; Bassyouni, Hanan A.R.; Codding, Penelope W.","5,7-Dichlorokynurenic Acid Hydrate, an Antagonist for the Glycine Binding Site on the NMDA Receptor","Acta Crystallographica Section C","1997","53","6","739","742","10.1107/S010827019700005X","","","1.54178","CuKα","","0.0483","0.0406","","0.14","0.1123","","","","1.229","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006204","14.814","0.003","12.372","0.002","14.306","0.002","90","","91.08","0.01","90","","2621.5","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2,2'-dipyridylmethanediol-N,N')palladium(II) Chloride Tetrahydrate","","- C22 H28 Cl2 N4 O8 Pd -","- C22 H28 Cl2 N4 O8 Pd -","- C88 H112 Cl8 N16 O32 Pd4 -","4","0.5","FG1220","Sommerer, Shaun O.; Jircitano, Alan J.; Westcott, Barry L.; Abboud, Khalil A.; Bauer, Jeanette A. Krause","Bis(di-2-pyridylmethanediol-<i>N</i>,<i>N</i>')palladium(II) Dichloride Tetrahydrate and Dichloro(di-2-pyridylmethanediol-<i>N</i>,<i>N</i>')gold(III) Chloride","Acta Crystallographica Section C","1997","53","6","707","710","10.1107/S0108270197000218","","","0.71073","MoKα","","0.0429","0.0364","","0.1206","0.1144","","","","1.054","1.098","1.098","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2006205","9.233","0.002","12.271","0.003","12.627","0.003","90","","95.58","0.03","90","","1423.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro(2,2'-dipyridylmethanediol-N,N')gold(III) Chloride","","- C11 H10 Au Cl3 N2 O2 -","- C11 H10 Au Cl3 N2 O2 -","- C44 H40 Au4 Cl12 N8 O8 -","4","1","FG1220","Sommerer, Shaun O.; Jircitano, Alan J.; Westcott, Barry L.; Abboud, Khalil A.; Bauer, Jeanette A. Krause","Bis(di-2-pyridylmethanediol-<i>N</i>,<i>N</i>')palladium(II) Dichloride Tetrahydrate and Dichloro(di-2-pyridylmethanediol-<i>N</i>,<i>N</i>')gold(III) Chloride","Acta Crystallographica Section C","1997","53","6","707","710","10.1107/S0108270197000218","","","0.71073","MoKα","","0.046","0.0365","","0.0938","0.0898","","","","1.008","1.061","1.061","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006206","11.4438","0.0012","9.5077","0.001","21.497","0.003","90","","98.245","0.01","90","","2314.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","7,8-Bis(2-pyridiniumthio)-7,8-dicarba-nido-undecaborate trifluoromethanesulfonate","","- C13 H20 B9 F3 N2 O3 S3 -","- C13 H20 B9 F3 N2 O3 S3 -","- C52 H80 B36 F12 N8 O12 S12 -","4","1","FG1234","Jones, Peter G.; Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio","7,8-Bis(pyridinium-2-ylthio)-7,8-dicarba-<i>nido</i>-undecaborate Trifluoromethanesulfonate","Acta Crystallographica Section C","1997","53","6","767","768","10.1107/S0108270197002497","","","0.71073","MoKα","","0.0664","0.0349","","0.0807","0.0737","","","","0.872","1.001","1.001","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006207","10.646","0.003","11.286","0.003","14.205","0.004","78.2","0.02","80.64","0.02","71.77","0.02","1577.9","0.8","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","2,13-dithia[3]orthocyclo[3](2,3)-naphthalenophane","","- C20 H18 S2 -","- C20 H18 S2 -","- C80 H72 S8 -","4","2","FG1236","Jones, Peter G.; Kuś, Piotr","2,13-Dithia[3]orthocyclo[3](2,3)naphthalenophane","Acta Crystallographica Section C","1997","53","6","786","787","10.1107/S0108270197000061","","","0.71073","MoKα","","0.0594","0.0397","","0.1072","0.0916","","","","1.053","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006208","7.7374","0.0013","8.5142","0.0014","9.0238","0.0009","65.777","0.012","69.777","0.011","83.54","0.013","508.41","0.14","288","1","288","1","","","","","","","","7","P -1","-P 1","2","trans-diisothiocyanato(cyclam)chromium(III) perchlorate","trans-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate","","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","1","0.5","FG1243","Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.","<i>cis</i>-and <i>trans</i>-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate","Acta Crystallographica Section C","1997","53","6","687","691","10.1107/S0108270197002503","","","1.5418","CopperKα","","0.0395","0.0387","","0.1037","0.1029","","","","1.045","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006209","7.6925","0.0014","8.471","0.002","8.9387","0.0008","65.93","0.015","69.87","0.012","83.86","0.02","498.96","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","trans-diisothiocyanato(cyclam)chromium(III) perchlorate","trans-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate","","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","1","0.5","FG1243","Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.","<i>cis</i>-and <i>trans</i>-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate","Acta Crystallographica Section C","1997","53","6","687","691","10.1107/S0108270197002503","","","1.5418","CuKα","","0.0306","0.03","","0.0817","0.0811","","","","1.079","1.079","1.079","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006210","11.0105","0.0011","8.6361","0.0011","21.645","0.002","90","","90.105","0.008","90","","2058.2","0.4","288","1","288","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cis-diisothiocyanato(cyclam)chromium(III) perchlorate","cis-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate","","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","- C48 H96 Cl4 Cr4 N24 O16 S8 -","4","1","FG1243","Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.","<i>cis</i>-and <i>trans</i>-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate","Acta Crystallographica Section C","1997","53","6","687","691","10.1107/S0108270197002503","","","0.71073","MoKα","","0.1197","0.0523","","0.1665","0.1362","","","","0.999","1.188","1.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006211","10.975","0.002","8.69","0.002","21.144","0.004","90","","90.607","0.014","90","","2016.4","0.7","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cis-diisothiocyanato(cyclam)chromium(III) perchlorate","cis-diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) perchlorate","","- C12 H24 Cl Cr N6 O4 S2 -","- C12 H24 Cl Cr N6 O4 S2 -","- C48 H96 Cl4 Cr4 N24 O16 S8 -","4","1","FG1243","Friesen, Duane A.; Quail, J. Wilson; Waltz, William L.; Nashiem, Rodney E.","<i>cis</i>-and <i>trans</i>-Diisothiocyanato(1,4,8,11-tetraazacyclotetradecane)chromium(III) Perchlorate","Acta Crystallographica Section C","1997","53","6","687","691","10.1107/S0108270197002503","","","0.71073","MoKα","","0.0837","0.045","","0.1482","0.1172","","","","1.06","1.125","1.125","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006212","7.0923","0.0002","23.1347","0.0005","15.1181","0.0003","90","","94.297","0.001","90","","2473.58","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H50 N2 O20 -","- C51 H50 N2 O20 -","- C102 H100 N4 O40 -","2","1","FG1246","Abboud, Khalil A.; Toporek, Stan S.; Horenstein, Benjamin A.","2,3-Di-<i>O</i>-benzoyl-1-<i>O</i>-<i>p</i>-nitrophenyl-6-<i>O</i>-pivaloyl-4-<i>O</i>-(3',4',6'-tri-<i>O</i>-acetyl-2'-deoxy-2'-<i>N</i>-phthalimido-β-<small>D</small>-1'-glucopyranosyl)-β-<small>D</small>-glucopyranose","Acta Crystallographica Section C","1997","53","6","742","744","10.1107/S0108270197000097","","","0.71073","MoKα","","0.0602","0.045","","0.1201","0.1028","","","","1.044","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006213","9.595","0.005","14.008","0.004","9.413","0.005","93.53","0.03","117.14","0.04","85.03","0.03","1121.3","1","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 Cl5 Cu N3 -","- C19 H22 Cl5 Cu N3 -","- C38 H44 Cl10 Cu2 N6 -","2","1","FG1248","Parvez, Masood; Sabir, Aaliya P.","Clemizole Tetrachlorocuprate(II) and Clemizole Tetrachlorocobaltate(II)","Acta Crystallographica Section C","1997","53","6","675","677","10.1107/S0108270196015922","","","0.71069","MoKα","","0.0834","0.0572","","0.0942","0.0747","","","","1.89","1.96","1.96","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006214","7.04","0.001","23.282","0.003","13.73","0.001","90","","91.11","0.01","90","","2250","0.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl5 Co N3 -","- C19 H22 Cl5 Co N3 -","- C76 H88 Cl20 Co4 N12 -","4","1","FG1248","Parvez, Masood; Sabir, Aaliya P.","Clemizole Tetrachlorocuprate(II) and Clemizole Tetrachlorocobaltate(II)","Acta Crystallographica Section C","1997","53","6","675","677","10.1107/S0108270196015922","","","0.71069","MoKα","","0.1134","0.0566","","0.1568","0.0809","","","","2.31","1.67","1.67","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006215","9.17","0.003","15.54","0.007","9.339","0.002","90","","99.14","0.02","90","","1313.9","0.8","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cl2 S2 Zn -","- C8 H18 Cl2 S2 Zn -","- C32 H72 Cl8 S8 Zn4 -","4","1","FG1260","Parvez, Masood; Mesher, Shaun T. E.; Clark, Peter D.","<i>trans</i>-[2,3-Bis(methylthio)hexane-<i>S</i>,<i>S</i>']dichlorozinc(II), <i>trans</i>-[1,2-Bis(methylthio)cyclohexane-<i>S</i>,<i>S</i>']dichlorozinc(II) and <i>cis</i>-[5,6-Bis(methylthio)-1,3-cycloheptadiene-<i>S</i>,<i>S</i>']dichlorozinc(II)","Acta Crystallographica Section C","1997","53","6","681","685","10.1107/S0108270197002631","","","0.71069","MoKα","","","0.027","","","0.022","","","","","1.403","1.403","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006216","12.325","0.002","13.196","0.002","8.535","0.001","107.69","0.01","92.31","0.01","98.63","0.01","1302.1","0.3","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 Cl2 S2 Zn -","- C8 H16 Cl2 S2 Zn -","- C32 H64 Cl8 S8 Zn4 -","4","2","FG1260","Parvez, Masood; Mesher, Shaun T. E.; Clark, Peter D.","<i>trans</i>-[2,3-Bis(methylthio)hexane-<i>S</i>,<i>S</i>']dichlorozinc(II), <i>trans</i>-[1,2-Bis(methylthio)cyclohexane-<i>S</i>,<i>S</i>']dichlorozinc(II) and <i>cis</i>-[5,6-Bis(methylthio)-1,3-cycloheptadiene-<i>S</i>,<i>S</i>']dichlorozinc(II)","Acta Crystallographica Section C","1997","53","6","681","685","10.1107/S0108270197002631","","","0.71069","MoKα","","0.082","0.029","","0.214","0.06","","","","0.999","0.998","0.998","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006217","7.513","0.006","12.044","0.007","7.47","0.004","95.15","0.02","93.67","0.03","103.66","0.04","651.6","0.7","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 Cl2 S2 Zn -","- C9 H14 Cl2 S2 Zn -","- C18 H28 Cl4 S4 Zn2 -","2","1","FG1260","Parvez, Masood; Mesher, Shaun T. E.; Clark, Peter D.","<i>trans</i>-[2,3-Bis(methylthio)hexane-<i>S</i>,<i>S</i>']dichlorozinc(II), <i>trans</i>-[1,2-Bis(methylthio)cyclohexane-<i>S</i>,<i>S</i>']dichlorozinc(II) and <i>cis</i>-[5,6-Bis(methylthio)-1,3-cycloheptadiene-<i>S</i>,<i>S</i>']dichlorozinc(II)","Acta Crystallographica Section C","1997","53","6","681","685","10.1107/S0108270197002631","","","0.71069","MoKα","","0.079","0.038","","0.109","0.09","","","","1.047","1.085","1.085","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006218","14.355","0.002","7.836","0.002","20.353","0.002","90","","106.74","0.01","90","","2192.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 Cl5 Cu N3 -","- C16 H22 Cl5 Cu N3 -","- C64 H88 Cl20 Cu4 N12 -","4","1","FG1261","Parvez, Masood; Sabir, Aaliya P.","Chloropyramine Tetrachlorocuprate(II)","Acta Crystallographica Section C","1997","53","6","678","679","10.1107/S0108270197002060","","","0.71069","MoKα","","0.255","0.041","","0.212","0.099","","","","0.933","0.907","0.907","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006219","10.106","0.004","11.8","0.005","18.301","0.004","90","","94.42","0.02","90","","2175.9","1.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 Cl4 Cu N2 -","- C19 H24 Cl4 Cu N2 -","- C76 H96 Cl16 Cu4 N8 -","4","1","FG1262","Parvez, Masood; Sabir, Aaliya P.","Triprolidine Tetrachlorocuprate(II)","Acta Crystallographica Section C","1997","53","6","679","681","10.1107/S0108270197002072","","","0.71069","MoKα","","0.185","0.041","","0.193","0.092","","","","1.015","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006220","5.7618","0.0006","14.4939","0.0018","14.5031","0.0018","90","","90","","90","","1211.2","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Thieno[2,3-c]pyridine","","- C7 H5 N S -","- C7 H5 N S -","- C56 H40 N8 S8 -","8","1","FG1264","Nerenz, Heiko; Grahn, Walter; Jones, Peter G.","Thieno[2,3-<i>c</i>]pyridine, the First Structure of a Thienopyridine","Acta Crystallographica Section C","1997","53","6","787","789","10.1107/S0108270197002084","","","0.71073","MoKα","","0.0329","0.0263","","0.0776","0.0756","","","","1.06","1.139","1.139","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006221","8.939","0.002","9.36","0.002","11.438","0.002","90","","90","","90","","957","0.3","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Oxalyl chloride dimesylamide","","- C4 H6 Cl N O6 S2 -","- C4 H6 Cl N O6 S2 -","- C16 H24 Cl4 N4 O24 S8 -","4","1","FG1267","Dalluhn, Jörg; Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXII. Oxalyl Chloride Dimesylamide","Acta Crystallographica Section C","1997","53","6","781","783","10.1107/S0108270197002096","","","0.71073","MoKα","","0.0208","0.0201","","0.0575","0.0526","","","","1.073","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006222","9.1599","0.0013","9.1599","0.0013","5.445","0.003","90","","90","","120","","395.6","0.2","143","2","143","2","","","","","","","","3","P 63/m","-P 6c","176","","2,4,6-Tris(diazo)-cyclohexane-1,3,5-trione","","- C6 N6 O3 -","- C6 N6 O3 -","- C12 N12 O6 -","2","0.166667","FG1274","Jones, Peter G.; Ahrens, Birte; Höpfner, Thomas; Hopf, Henning","2,4,6-Tris(diazo)cyclohexane-1,3,5-trione","Acta Crystallographica Section C","1997","53","6","783","786","10.1107/S0108270197002114","","","0.71073","MoKα","","0.0306","0.0291","","0.0933","0.0885","","","","1.184","1.196","1.196","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006223","5.0997","0.0009","9.174","0.001","28.375","0.005","90","","90","","90","","1327.5","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,5-diaziridinyl-3-phenylquinone","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","HA1183","Hargreaves, Rob H. J.; Mayalarp, Stephen P.; Butler, John; Lee, Moses; Pennington, William T.","2,5-Diaziridinyl-3-phenyl-<i>p</i>-benzoquinone","Acta Crystallographica Section C","1997","53","6","749","751","10.1107/S0108270197001224","","","1.54178","CuKα","","0.0759","0.0451","","0.1226","0.1094","","","","0.861","1.029","1.029","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006224","6.212","0.001","10.162","0.005","27.589","0.006","90","","90","","90","","1741.6","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O5 -","- C19 H30 O5 -","- C76 H120 O20 -","4","1","HA1184","Damas, Ana M.; Kijjoa, Anake; Pinto, Madalena","Two Dolabrane-type Diterpenoids","Acta Crystallographica Section C","1997","53","6","755","757","10.1107/S0108270196015752","","","0.71069","MoKa","","0.0422","0.0366","","0.1156","0.0996","","","","1.047","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006225","6.257","0.001","15.137","0.003","9.819","0.002","90","","96.56","0.02","90","","923.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H31 Cl O4 -","- C19 H31 Cl O4 -","- C38 H62 Cl2 O8 -","2","1","HA1184","Damas, Ana M.; Kijjoa, Anake; Pinto, Madalena","Two Dolabrane-type Diterpenoids","Acta Crystallographica Section C","1997","53","6","755","757","10.1107/S0108270196015752","","","0.71069","MoKa","","0.0336","0.0316","","0.0801","0.0775","","","","1.057","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006226","8.96","0.004","20.536","0.011","8.146","0.004","90","","102.97","0.04","90","","1460.6","1.3","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanidinium hydrogen squarate","","","- C5 H7 N3 O4 -","- C5 H7 N3 O4 -","- C40 H56 N24 O32 -","8","2","JZ1154","Tsonko Kolev; Hans Preut; Paul Bleckmann; Valentina Radomirska","Guanidinium Hydrogen Squarate","Acta Crystallographica Section C","1997","53","6","805","807","10.1107/S0108270197001182","","","0.71073","MoKα","","0.0848","0.0562","","0.1983","0.1528","","","","0.988","1.171","1.171","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006227","8.9054","0.0013","8.9054","0.0013","37.978","0.008","90","","90","","90","","3011.9","0.9","293","2","","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C30 H50 Cl2 Pd2 -","- C30 H50 Cl2 Pd2 -","- C120 H200 Cl8 Pd8 -","4","0.5","","Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós; Yves Castanet; André Mortreux","Bis(π-allyl-6,7-dihydrohimachalene)-α,α-dichlorodipalladium","Acta Crystallographica Section C","1997","53","","710","712","","","","","","","","0.0738","","","0.153","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2006228","5.6211","0.0009","7.356","0.001","18.144","0.003","98.956","0.009","97.03","0.01","99.326","0.009","722.9","0.2","295.2","","295.2","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Br N2 O3 S -","- C15 H9 Br N2 O3 S -","- C30 H18 Br2 N4 O6 S2 -","2","1","JZ1178","Ruiwu, Tao; Barnes, Charles L.; Cox, Osvaldo; Hernàndez, Wigberto J.; Cardona, Damaris; Huang, Songping D.","1-(1,3-Benzothiazol-2-yl)-2-(2-bromo-5-nitrophenyl)ethanone","Acta Crystallographica Section C","1997","53","6","801","803","10.1107/S0108270197000656","","","0.7107","MoKα","","","0.0317","","","0.0375","","","","","1.766","1.766","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006229","28.663","0.0007","28.663","0.0007","7.25719","0.0001","90","","90","","90","","5962.3","0.2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","(4-Ethylpyridine)(N-salicylideneglycinato)copper(II) Tetramer","","- C64 H64 Cu4 N8 O12 -","- C64 H64 Cu4 N8 O12 -","- C256 H256 Cu16 N32 O48 -","4","0.25","JZ1191","Warda, Salam A.","A (4-Ethylpyridine)(<i>N</i>-salicylideneglycinato)copper(II) Tetramer","Acta Crystallographica Section C","1997","53","6","697","699","10.1107/S0108270197002692","","","1.54178","CuKα","","0.0475","0.0435","","0.1254","0.1225","","","","1.124","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006230","13.8156","0.0012","6.947","0.002","12.4225","0.0014","90","","111.66","0.01","90","","1108.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium 3-Dithiocarboxy-3-Aza-5-Amino Pentanoate Dihydrate","","- C5 H13 K N2 O4 S2 -","- C5 H12 K N2 O4 S2 -","- C20 H48 K4 N8 O16 S8 -","4","1","KA1221","Bogdan Prelesnik; Katarina Andjelković; Zorica Marković; Tibor Sabo; Srećko Trifunović","Potassium 3-Dithiocarboxy-3-aza-5-aminopentanoate Dihydrate","Acta Crystallographica Section C","1997","53","6","719","720","10.1107/S0108270197001650","","","0.71073","MoKα","","","0.039","","","0.041","","","","","0.957","0.957","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006231","9.2523","0.0007","30.116","0.001","10.2195","0.0007","90","","95.203","0.003","90","","2835.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicyclohexylammonium (N,N-Dicyclohexylthiocarbamoylthio)acetate","","- C27 H48 N2 O2 S2 -","- C27 H48 N2 O2 S2 -","- C108 H192 N8 O8 S8 -","4","1","KH1126","Ng, Seik Weng","Dicyclohexylammonium (<i>N</i>,<i>N</i>-Dicyclohexylthiocarbamoylthio)acetate","Acta Crystallographica Section C","1997","53","6","779","781","10.1107/S0108270197000644","","","0.71073","MoKα","","0.0646","0.0453","","0.1249","0.115","","","","1.04","1.135","1.135","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006232","6.797","0.002","13.558","0.006","7.217","0.002","90","","96.58","0.03","90","","660.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(cyanamidonitrate)bis(imidazole) copper(II) complex, C~8~H~8~N~10~O~4~Cu~1~","","- C8 H8 Cu N10 O4 -","- C8 H8 Cu N10 O4 -","- C16 H16 Cu2 N20 O8 -","2","0.5","MU1302","Kožíšek, Jozef; Jesús García Díaz; Mária Hvastijová; Lothar Jäger","<i>trans</i>-Bis(cyanamidonitrato-<i>N</i>:<i>O</i>)bis(imidazole-<i>N</i>^3^)copper(II), [Cu(CN~3~O~2~)~2~(C~3~H~4~N~2~)~2~]","Acta Crystallographica Section C","1997","53","6","703","705","10.1107/S010827019700111X","","","0.71073","MoKα","","0.0706","0.0359","","0.102","0.0963","","","","0.975","1.174","1.174","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006233","7.4538","0.0006","12.563","0.002","12.983","0.001","90","","90","","90","","1215.8","0.2","297","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 I N O -","- C13 H10 I N O -","- C52 H40 I4 N4 O4 -","4","1","MU1303","Elmali, Ayhan; Elerman, Yalc̨in","2-[(2-Iodophenyl)iminomethyl]phenol","Acta Crystallographica Section C","1997","53","6","791","793","10.1107/S0108270197000619","","","0.71069","MoKα","","0.0235","0.0217","","0.0589","0.0577","","","","1.093","1.093","1.093","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006234","9.722","0.003","7.475","0.002","20.255","0.005","90","","99.75","0.01","90","","1450.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","onysilin","2,3-dihydro-5-hydroxy-6,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","MU1306","Chantrapromma, Kan; Seechamnanturakit, Vatcharee; Ponglimanont, Chanita; Pakawatchai, Chaveng; Fun, Hoong-Kun; Sivakumar, Kandasamy","2,3-Dihydro-5-hydroxy-6,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one (Onysilin)","Acta Crystallographica Section C","1997","53","6","734","736","10.1107/S0108270197001121","","","0.71073","MoKα","","0.0698","0.0517","","0.1655","0.1516","","","","1.086","1.202","1.202","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006235","10.75","0.002","26.735","0.006","10.533","0.001","90","","90","","90","","3027.2","0.9","293","","20","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O11 -","- C31 H50 O11 -","- C124 H200 O44 -","4","1","NA1249","Chen, Hao; Tan, Ren-Xiang; Liu, Zhi-Li; Zhao, Cong-Yuan; Sun, Jie","A Clerodane Diterpene with Antibacterial Activity from <i>Ajuga lupulina</i>","Acta Crystallographica Section C","1997","53","6","814","816","10.1107/S0108270196013637","","","0.7107","MoKα","","0.0679","0.0465","","0.137","0.0614","","","","","2.38","2.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006236","10.838","0.001","9.347","0.001","13.456","0.001","90","","92.3","0.01","90","","1362","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4R,5R)-5,6-diacetoxy-4-(t-butyldiphenylsilyloxy)-3-hydroxy -4-methylhex-1-en","","- C27 H36 O6 Si -","- C27 H36 O6 Si -","- C54 H72 O12 Si2 -","2","1","NA1274","Lewinski, Krzysztof","(2<i>R</i>,3<i>R</i>,4<i>S</i>)-3-(<i>tert</i>-Butyldiphenylsiloxy)-4-hydroxy-3-methylhex-5-ene-1,2-diyl Diacetate","Acta Crystallographica Section C","1997","53","6","753","755","10.1107/S0108270197000498","","","0.71069","MoKα","","0.0345","0.0317","","0.0869","0.0856","","","","1.021","1.037","1.037","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006237","11.3664","0.0002","8.8648","0.0002","5.72","0.0001","90","","90","","90","","576.352","0.019","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","catena-Cyclopentadienylcesium","","","- C5 H5 Cs -","- C5 H5 Cs -","- C20 H20 Cs4 -","4","0.5","NA1280","Robert E. Dinnebier; Falk Olbrich; Götz M. Bendele","Cyclopentadienylcaesium by High-Resolution X-ray Powder Diffraction","Acta Crystallographica Section C","1997","53","6","699","701","10.1107/S0108270197001984","","","0.69006","Synchrotron","","0.0545","0.0545","","","0.0746","","","","","1.406","1.406","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006238","25.31","0.01","9.242","0.002","23.006","0.002","90","0.01","117.58","0.02","90","0.02","4770","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(propionato)[tetra(p-chlorophenyl)porphryinatotin(IV) Dichloromethane solvate","","- C51 H36 Cl6 N4 O4 Sn -","- C51 H34 Cl6 N4 O4 Sn -","- C204 H136 Cl24 N16 O16 Sn4 -","4","0.5","NA1286","Belcher, Warwick J.; Brothers, Penelope J.; Rickard, Clifton E. F.","Bis(propionato-<i>O</i>)[5,10,15,20-tetra(<i>p</i>-chlorophenyl)porphyrinato-κ^4^<i>N</i>]tin(IV) Dichloromethane Solvate","Acta Crystallographica Section C","1997","53","6","725","726","10.1107/S0108270197002333","","","0.71069","MoKα","","0.1011","0.0482","","0.1375","0.1127","","","","1.063","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006239","8.284","0.001","8.284","0.001","12.092","0.002","90","","90","","90","","829.8","0.2","297","","297","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au2 Cs2 I6 -","- Au2 Cs2 I6 -","- Au4 Cs4 I12 -","2","0.0625","OA1010","Matsushita, Nobuyuki; Kitagawa, Hiroshi; Kojima, Norimichi","A Three-Dimensional Iodo-Bridged Mixed-Valence Gold(I, III) Compound, Cs~2~Au^I^Au^III^I~6~","Acta Crystallographica Section C","1997","53","6","663","666","10.1107/S0108270197000279","","","0.71069","MoKα","","","0.0698","","","0.0851","","","","","2.66","2.66","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2006240","15.866","0.002","17.32","0.002","10.3158","0.0009","90","","90","","90","","2834.8","0.5","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O7 -","- C31 H46 O7 -","- C124 H184 O28 -","4","1","OA1013","Limmatvapirat, Sontaya; Yamaguchi, Kentaro; Yonemochi, Etsuo; Oguchi, Toshio; Yamamoto, Keiji","A 1:1 Deoxycholic Acid‒Salicylic Acid Complex","Acta Crystallographica Section C","1997","53","6","803","805","10.1107/S0108270197000899","","","1.5418","CuKα","","","0.0413","","","0.0444","","","","","1.867","1.867","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006241","8.307","0.002","6.7435","0.0009","10.102","0.002","90","","118.576","0.006","90","","496.96","0.17","296","","296","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C6 H12 N2 O6 V -","- C6 H10 N2 O6 V -","- C12 H20 N4 O12 V2 -","2","1","OA1014","Kan Kanamori; Kazuhito Ino; Ken-Ichi Okamoto","Aqua(ethylenediamine-<i>N</i>,<i>N</i>'-diacetato-<i>O</i>,<i>O</i>')oxovanadium(IV)","Acta Crystallographica Section C","1997","53","6","672","673","10.1107/S0108270197000231","","","0.7107","MoKα","","","0.0309","","","0.045","","","","","1.417","1.417","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006242","17.329","0.005","13.631","0.003","6.943","0.002","90","","101.4","0.01","90","","1607.7","0.7","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H21 N2 Na O10 V -","- C10 H21 N2 Na O10 V -","- C40 H84 N8 Na4 O40 V4 -","4","1","OA1015","Kan Kanamori; Keisuke Miyazaki; Ken-Ichi Okamoto","Sodium (<i>N</i>-Ethylethylenediamine-<i>N</i>,<i>N</i>',<i>N</i>'-triacetato)oxovanadium(IV) Trihydrate","Acta Crystallographica Section C","1997","53","6","673","675","10.1107/S0108270197000243","","","0.7107","MoKα","","","0.0381","","","0.0617","","","","","1.398","1.398","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2006243","13.476","0.002","14.04","0.001","10.3145","0.0009","103.953","0.008","105.2","0.008","67.291","0.008","1715.7","0.3","296","","296","","","","","","","","","3","P -1","-P 1","2","","2,2-diphenyl-1,3,6,9-tetraoxacycloundecane","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","2","OA1021","Hatsue Tamura; Shinya Ueno; Kazuhide Ogawa; Toshikazu Nagai; Takumi Oshima","Planar Chirality in 2,2-Diphenyl-1,3,6,9-tetraoxacycloundecane","Acta Crystallographica Section C","1997","53","6","759","761","10.1107/S0108270197000905","","","1.5418","CuKα","","","0.046","","","0.049","","","","","1.69","1.69","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006244","6.286","0.003","12.033","0.005","24.523","0.014","90","","95.31","0.04","90","","1846.9","1.6","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Methylbenzothiazolinospiro-2,3'-(2-methyl-[3H]phenanthr[9,10-b][1,4]oxazine)","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C96 H72 N8 O4 S4 -","4","1","PA1249","Xiaodong Sun; Yongchao Liang; Meigong Fan; Edward T. Knobbe; Elizabeth M. Holt","1-Methylbenzothiazolinospiro-2,3'-(2-methyl[3<i>H</i>]phenanthr[9,10-<i>b</i>][1,4]oxazine) and 1-Methylbenzothiazolinospiro-2,3'-(2'-methyl[3<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine)","Acta Crystallographica Section C","1997","53","6","820","823","10.1107/S0108270197000012","","","0.71073","MoKα","","","0.0545","","","0.057","","","","","1.3","1.3","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006245","10.237","0.003","13.364","0.007","12.296","0.007","90","","102.16","0.03","90","","1644.4","1.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-methylbenzothiazolinospiro-2,3'-(2'-methyl-[3H]naphth[2,1-b][1,4]oxazine)","","- C20 H16 N2 O S -","- C20 H16 N2 O S -","- C80 H64 N8 O4 S4 -","4","1","PA1249","Xiaodong Sun; Yongchao Liang; Meigong Fan; Edward T. Knobbe; Elizabeth M. Holt","1-Methylbenzothiazolinospiro-2,3'-(2-methyl[3<i>H</i>]phenanthr[9,10-<i>b</i>][1,4]oxazine) and 1-Methylbenzothiazolinospiro-2,3'-(2'-methyl[3<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine)","Acta Crystallographica Section C","1997","53","6","820","823","10.1107/S0108270197000012","","","0.71073","MoKα","","","0.0462","","","0.0541","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006246","19.133","0.002","10.2247","0.001","20.0835","0.0014","90","","107.55","0.02","90","","3746","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,5,6,7,8,9-Hexamethoxy-indeno[1,2,3-ij]isoquinoline","","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C168 H168 N8 O48 -","8","1","QA0003","Scherowsky, Günter; Frackowiak, Esther; Adam, David","4,5,6,7,8,9-Hexamethoxyindeno[1,2,3-<i>ij</i>]isoquinoline","Acta Crystallographica Section C","1997","53","6","IUC9700005","","10.1107/S0108270197007695","","","0.71073","MoKα","","0.1498","0.0691","","0.2177","0.1663","","","","1.191","1.319","1.319","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006247","9.356","0.002","9.609","0.002","20.529","0.004","92.16","0.03","92.81","0.03","98.73","0.03","1820.1","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","bis(triphenylphosphine)palladium bromide","trans-dibromobis(triphenylphosphine)palladium(II)","","- C40 H38 Br2 O P2 Pd -","- C40 H38 Br2 O P2 Pd -","- C80 H76 Br4 O2 P4 Pd2 -","2","1","QA0004","Stark, Joseph L.; Whitmire, Kenton H.","<i>trans</i>-Dibromobis(triphenylphosphine)palladium(II) Tetrahydrofuran Solvate and <i>trans</i>-Dichlorobis(triphenylphosphine)palladium(II) Bis(chloroform) Solvate","Acta Crystallographica Section C","1997","53","6","IUC9700007","","10.1107/S0108270197099502","","","0.71073","MoKα","","0.0592","0.047","","0.1418","0.1316","","","","1.051","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006248","7.88","0.002","11.201","0.002","12.043","0.002","89.19","0.03","76.76","0.03","74.65","0.03","996.6","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","Bis(triphenylphosphine)palladium chloride","trans-dichlorobis-(triphenylphosphine)palladium(II)","","- C38 H32 Cl8 P2 Pd -","- C38 H32 Cl8 P2 Pd -","- C38 H32 Cl8 P2 Pd -","1","0.5","QA0004","Stark, Joseph L.; Whitmire, Kenton H.","<i>trans</i>-Dibromobis(triphenylphosphine)palladium(II) Tetrahydrofuran Solvate and <i>trans</i>-Dichlorobis(triphenylphosphine)palladium(II) Bis(chloroform) Solvate","Acta Crystallographica Section C","1997","53","6","IUC9700007","","10.1107/S0108270197099502","","","0.71073","MoKα","","0.0579","0.0525","","0.1399","0.1353","","","","1.032","1.047","1.047","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2006249","13.602","0.004","14.924","0.005","22.77","0.006","90","","105.76","0.02","90","","4448","2","299","2","299","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1-dimethyl-1-tert-butyl-2,2,2-triphenyldisilane","","- C24 H30 Si2 -","- C24 H30 Si2 -","- C192 H240 Si16 -","8","1","QB0006","Stark, Joseph L.; Whitmire, Kenton H.","[2-(<i>tert</i>-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yloxy)silane and its Disilane Precursor, 1-<i>tert</i>-Butyl-1,1-dimethyl-2,2,2-triphenyldisilane","Acta Crystallographica Section C","1997","53","6","IUC9700006","","10.1107/S0108270197099496","","","0.71073","MoKα","","0.0946","0.0614","","0.2228","0.1781","","","","0.821","0.806","0.806","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006250","25.977","0.003","25.978","0.007","9.437","0.004","90","","90","","90","","6368","3","293","","293","2","","","","","","","","4","I -4","I -4","82","","[2-(tert-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yl- oxy)silane","","- C33 H48 O Si2 -","- C33 H48 O Si2 -","- C264 H384 O8 Si16 -","8","1","QB0006","Leigh, William J.; Kroll, Elizabeth C.; Toltl, Nicholas P.; Britten, James F.","[2-(<i>tert</i>-Butyldimethylsilyl)phenyl]diphenyl(2,2,4,4-tetramethylpent-3-yloxy)silane and its Disilane Precursor, 1-<i>tert</i>-Butyl-1,1-dimethyl-2,2,2-triphenyldisilane","Acta Crystallographica Section C","1997","53","6","IUC9700006","","10.1107/S0108270197099496","","","1.54178","CopperKα","","0.1514","0.0797","","0.2631","0.19","","","","1.009","0.983","0.983","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006251","7.29","0.003","7.926","0.003","14.654","0.004","90","","92.94","0.07","90","","845.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","α-PNM","4'-nitrophenyl-α-D-mannopyranoside","","- C14 H21 N O9 -","- C14.02 H15 N O9.01 -","- C28.04 H30 N2 O18.02 -","2","1","SK1000","Agianian, Bogos; Perrakis, Anastassis; Kanellopoulos, Panagiotis N.; Sheldrick, Bernard; Hamodrakas, Stavros J.","<i>p</i>-Nitrophenyl α-<small>D</small>-Mannopyranoside Ethanol Solvate","Acta Crystallographica Section C","1997","53","6","811","814","10.1107/S0108270196015776","","","1.5418","CuKα","","0.0682","0.0647","","0.1767","0.1702","","","","1.084","1.087","1.087","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006252","8.384","0.002","10.898","0.002","14.822","0.005","90","","92.76","0.02","90","","1352.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diclofenac acid","(2-((2,6-Dichlorophenyl)amino-phenyl)acetic acid (HD)","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C56 H44 Cl8 N4 O8 -","4","1","SK1077","Carlo Castellari; Stefano Ottani","Two Monoclinic Forms of Diclofenac Acid","Acta Crystallographica Section C","1997","53","6","794","797","10.1107/S0108270197002126","","","0.71069","MoKα","","0.1569","0.0397","","0.1206","0.0859","","","","1.005","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006253","20.226","0.004","6.971","0.003","20.061","0.004","90","","109.64","0.02","90","","2664","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Diclofenac acid","(2-((2,6-Dichlorophenyl)amino-phenyl)acetic acid (HD)","","- C14 H11 Cl2 N O2 -","- C14 H11 Cl2 N O2 -","- C112 H88 Cl16 N8 O16 -","8","1","SK1077","Carlo Castellari; Stefano Ottani","Two Monoclinic Forms of Diclofenac Acid","Acta Crystallographica Section C","1997","53","6","794","797","10.1107/S0108270197002126","","","0.71069","MoKα","","0.0711","0.0374","","0.1126","0.0992","","","","1.057","1.178","1.178","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006254","16.698","0.002","7.0361","0.0005","9.7093","0.0013","90","","108.754","0.011","90","","1080.2","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","His-Gly hydrochloride","L-Histidyl-glycinium Chloride","","- C8 H13 Cl N4 O3 -","- C8 H13 Cl N4 O3 -","- C32 H52 Cl4 N16 O12 -","4","1","SX1019","Steiner, Thomas","<small>L</small>-Histidylglycinium Chloride, C~8~H~13~N~4~O~3~^+^.Cl^{-^}","Acta Crystallographica Section C","1997","53","6","730","732","10.1107/S0108270197000590","","","1.54176","CuKα","","0.0333","0.0318","","0.0864","0.0854","","","","1.072","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006255","7.313","0.003","7.122","0.002","7.0719","0.0015","90","","94","0.03","90","","367.4","0.2","158","2","158","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","N-Methylmorpholinium chloride","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C10 H24 Cl2 N2 O2 -","2","0.5","TA1080","Turnbull, Mark M.","<i>N</i>-Methylmorpholinium Chloride","Acta Crystallographica Section C","1997","53","6","818","820","10.1107/S0108270197002710","","","0.71073","MoKα","","0.0329","0.0293","","0.0823","0.0812","","","","1.059","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006256","11.81","0.001","13.8044","0.0007","8.925","0.001","90","","101.32","0.008","90","","1426.7","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-dimethoxybenzylideneisonicotinoylhydrazone","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","TA1119","Chen, Wei; Zhang, X.; Shan, B.; You, X.","3,4-Dimethoxybenzaldehyde Isonicotinoylhydrazone","Acta Crystallographica Section C","1997","53","6","775","777","10.1107/S0108270197000516","","","0.71073","MoKα","","0.0955","0.0595","","0.1405","0.1265","","","","0.973","1.158","1.158","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006257","13.731","0.001","10.294","0.001","17.23","0.001","90","","103.06","0.01","90","","2372.4","0.3","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 N3 S6 V -","- C15 H30 N3 S6 V -","- C60 H120 N12 S24 V4 -","4","1","TA1121","Zhu, Hong-Ping; Deng, Yu-Heng; Huang, Xiao-Ying; Chen, Chang-Neng; Liu, Qiu-Tian","Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')vanadium(III)","Acta Crystallographica Section C","1997","53","6","692","693","10.1107/S0108270196015065","","","0.71073","MoKα","","","0.0393","","","0.0456","","","","","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006258","8.9289","0.0006","8.9289","0.0006","11.3327","0.0007","90","","90","","120","","782.46","0.09","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","Tris(ethylenediamine)zinc(II) Nitrate","","- C6 H24 N8 O6 Zn -","- C6 H24 N8 O6 Zn -","- C12 H48 N16 O12 Zn2 -","2","0.166667","TA1128","Neill, Debbie; Riley, Mark J.; Kennard, Colin H. L.","Tris(ethylenediamine-<i>N</i>,<i>N</i>')zinc(II) Dinitrate","Acta Crystallographica Section C","1997","53","6","701","703","10.1107/S0108270197001996","","","0.71069","MoKα","","0.0253","0.0246","","0.059","0.0584","","","","1.209","1.213","1.213","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006259","7.094","0.001","13.77","0.003","12.648","0.002","90","","90.57","0.02","90","","1235.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","hexaamminecobalt(III) thiosulfate monohydrate","hexaamminecobalt(III) thiosulfate chloride monohydrate","","- Cl Co H20 N6 O4 S2 -","- Cl Co H20 N6 O4 S2 -","- Cl4 Co4 H80 N24 O16 S8 -","4","1","TA1152","Sobolev, Alexander N.; Figgis, Brian N.","Hexaamminecobalt(III) Thiosulfate Chloride Monohydrate","Acta Crystallographica Section C","1997","53","6","661","663","10.1107/S0108270197002722","","","0.71069","MoKα","","0.046","0.0322","","0.0816","0.0736","","","","1.078","1.102","1.102","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006260","12.868","0.001","14.951","0.001","20.436","0.001","90","","105.58","0.01","90","","3787.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O5 S -","- C21 H17 N O5 S -","- C168 H136 N8 O40 S8 -","8","2","VJ1042","Govindasamy, L.; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A.K.","4-Hydroxy-6-methoxy-9-phenylsulfonylcarbazol-3-yl Methyl Ketone","Acta Crystallographica Section C","1997","53","6","771","773","10.1107/S0108270196015624","","","0.71073","MoKα","","0.0746","0.0457","","0.1332","0.1149","","","","1.071","1.133","1.133","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006261","8.4247","0.0007","9.482","0.001","10.634","0.001","93.565","0.01","104.462","0.009","101.452","0.008","800.57","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Trimethoprim nitrate","[2,4,-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine] nitrate.","","- C14 H19 N5 O6 -","- C14 H19 N5 O6 -","- C28 H38 N10 O12 -","2","1","VJ1045","Murugesan, S.; Thomas Muthiah, P.","Hydrogen-Bonding Patterns in Trimethoprim Nitrate, an Antifolate Drug","Acta Crystallographica Section C","1997","53","6","763","764","10.1107/S0108270196015636","","","0.7093","MoKα","","0.0671","0.0503","","0.1297","0.1219","","","","1.134","1.217","1.217","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006262","9.89","0.003","14.122","0.003","11.856","0.003","90","","98.04","0.02","90","","1639.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-phenylsulfonyl-3(2-propenyl)chroman-4-one","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C72 H64 O16 S4 -","4","1","VJ1050","Sriram, D.; Srinivasan, S.; Santhosh, K.C.","3-Phenylsulfonyl-3-(2-propenyl)chroman-4-one","Acta Crystallographica Section C","1997","53","6","793","794","10.1107/S0108270197001261","","","0.71073","MoKα","","0.0591","0.0502","","0.1337","0.1274","","","","1.088","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006263","8.3549","0.0011","9.1092","0.0014","10.29","0.002","64.196","0.016","77.525","0.014","82.951","0.011","688","0.2","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 I8 S4 -","- C10 H20 I8 S4 -","- C10 H20 I8 S4 -","1","0.5","AB1440","Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin","1,4,8,11-Tetrakis(diiodine)-1,4,8,11-tetrathiacyclotetradecane","Acta Crystallographica Section C","1997","53","7","886","888","10.1107/S010827019700067X","","","0.71073","MoKα","","0.0396","0.0312","","0.0689","0.0631","","","","1.156","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006264","8.754","0.002","15.055","0.003","26.742","0.005","90","","90","","90","","3524.4","1.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Anhydride of diacetoxyboric and 1-cyclopropyl-6-fluoro-7-chloro-4-oxo-1,4- dihydroquinoline-3-carboxylic acid","","- C17 H14 B Cl F N O7 -","- C17 H14 B Cl F N O7 -","- C136 H112 B8 Cl8 F8 N8 O56 -","8","1","AB1445","Turel, Iztok; Leban, Ivan; Bukovec, Peter; Barbo, Martin","Boron Complex of a Member of the Quinolone Family","Acta Crystallographica Section C","1997","53","7","942","943","10.1107/S0108270197003491","","","0.71073","MoKα","","0.1014","0.0534","","0.1395","0.1128","","","","1.076","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006265","40.266","0.014","7.044","0.0013","7.1203","0.0013","90","","90","","90","","2019.6","0.9","294","1","294","1","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","0.5","AB1460","Meehan, Paul R.; Alyea, Elmer C.; Ferguson, George","2,6-Diacetylpyridinebis(<i>p</i>-methoxyaniline), a Terdentate <i>NNN</i> Donor Ligand","Acta Crystallographica Section C","1997","53","7","888","890","10.1107/S0108270197002035","","","0.7107","MoKα","","0.0973","0.052","","0.1436","0.127","","","","0.94","1.14","1.14","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006266","9.2739","0.0013","16.682","0.002","14.69","0.002","90","","90","","90","","2272.6","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine Dihydrate","","- C7 H13 N5 O6 -","- C7 H13 N5 O6 -","- C56 H104 N40 O48 -","8","1","AB1473","Low, John N.; Ferguson, George; López, Rafael; Arranz, Paloma; Cobo, Justo; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine‒Water (1/2)","Acta Crystallographica Section C","1997","53","7","890","892","10.1107/S0108270197003934","","","0.7107","MolybdenumKα","","0.121","0.0482","","0.1205","0.1043","","","","0.889","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006267","10.6524","0.0012","10.6524","0.0012","25.548","0.004","90","","90","","90","","2899","0.6","293","","293","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C34 H42 O2 -","- C34 H42 O2 -","- C136 H168 O8 -","4","0.5","BK1252","Suh, Il-Hwan; Choi, Sungjo; Lewis, David E.; Jensen, William P.","Two Related Benzylcamphor Dimers","Acta Crystallographica Section C","1997","53","7","963","967","10.1107/S0108270197000371","","","0.7093","MolybdenumKα","","0.047","0.047","","0.027","0.027","","","","","2.18","2.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006268","13.453","0.003","10.1847","0.0016","10.2639","0.0018","90","","101.012","0.017","90","","1380.4","0.5","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H42 O2 -","- C34 H42 O2 -","- C68 H84 O4 -","2","1","BK1252","Suh, Il-Hwan; Choi, Sungjo; Lewis, David E.; Jensen, William P.","Two Related Benzylcamphor Dimers","Acta Crystallographica Section C","1997","53","7","963","967","10.1107/S0108270197000371","","","1.54056","CopperKα","","0.08","0.08","","0.067","0.067","","","","","7.32","7.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006269","9.51","0.002","13.75","0.003","13.41","0.002","90","","107.58","0.01","90","","1671.6","0.6","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[1,3-dimethyl-2(3H)-imidazoleselone]dichlorocobalt(II)","","- C10 H16 Cl2 Co N4 Se2 -","- C10 H16 Cl2 Co N4 Se2 -","- C40 H64 Cl8 Co4 N16 Se8 -","4","1","BK1302","Williams, Daniel J.; Jones, Timothy A.; Rice, Edward D.; Davis, Kerri J.; Ritchie, John A.; Pennington, William T.; Schimek, George L.","Dichlorobis[1,3-dimethylimidazole-2(3<i>H</i>)selone-<i>Se</i>]cobalt(II)","Acta Crystallographica Section C","1997","53","7","837","838","10.1107/S0108270196013947","","","0.71073","MoKα","","0.0626","0.0333","","0.0431","0.0398","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006270","17.762","0.002","6.7914","0.0008","8.5267","0.0011","90","","90","","90","","1028.6","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","0.5","BK1307","Rath, Nigam P.; Gu, Hong; Murray, Robert W.","1-Acetyl-3-hydroxyadamantane and 1-Carboxy-3-hydroxyadamantane","Acta Crystallographica Section C","1997","53","7","944","946","10.1107/S010827019700245X","","","0.71073","MoKα","","0.0855","0.0551","","0.1581","0.1395","","","","1.04","1.146","1.146","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006271","6.675","0.006","20.767","0.019","7.109","0.007","90","","106.08","0.06","90","","946.9","1.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","BK1307","Rath, Nigam P.; Gu, Hong; Murray, Robert W.","1-Acetyl-3-hydroxyadamantane and 1-Carboxy-3-hydroxyadamantane","Acta Crystallographica Section C","1997","53","7","944","946","10.1107/S010827019700245X","","","0.71073","MoKα","","0.1438","0.065","","0.1473","0.1138","","","","1.051","1.201","1.201","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006272","11.188","0.001","4.746","0.001","23.012","0.002","90","0.01","92.05","0.01","90","0.01","1221.1","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","","","2-(2-thienylmethylidenehydrazino)quinoline","","- C14 H11 N3 S -","- C14 H11 N3 S -","- C56 H44 N12 S4 -","4","1","BK1314","Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.","Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline","Acta Crystallographica Section C","1997","53","7","973","979","10.1107/S0108270197001212","","","0.71073","MoKα","","0.084","0.039","","","0.048","","","","","1.45","1.45","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006273","9.8543","0.0007","9.854","0.002","28.457","0.004","90","0.01","90","0.009","90","0.009","2763.3","0.7","293","","293","","","","","","","","","4","P 43 21 2","P 41n 2abw","","","2-(methyl(2-thienyl)methylidenehydrazino)quinoline","","- C15 H13 N3 S -","- C15 H13 N3 S -","- C120 H104 N24 S8 -","8","1","BK1314","Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.","Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline","Acta Crystallographica Section C","1997","53","7","973","979","10.1107/S0108270197001212","","","0.71073","MoKα","","0.119","0.037","","","0.043","","","","","1.242","1.242","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006274","9.585","0.0007","9.585","0.001","29.939","0.004","90","0.01","90","0.008","90","0.008","2750.6","0.5","293","","293","","","","","","","","","5","P 41 21 2","P 43n 2nw","","","2-(5-bromothien-2-ylmethylidenehydrazono)quinoline","","- C14 H10 Br N3 S -","- C14 H10 Br N3 S -","- C112 H80 Br8 N24 S8 -","8","1","BK1314","Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.","Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline","Acta Crystallographica Section C","1997","53","7","973","979","10.1107/S0108270197001212","","","0.71073","MoKα","","0.065","0.026","","","0.033","","","","","1.06","1.06","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006275","4.6689","0.0008","11.603","0.001","23.744","0.002","90","0.008","90","0.01","90","0.01","1286.3","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","2-(5-chlorothien-2-ylmethylidenehydrazino)quinoline","","- C14 H10 Cl N3 S -","- C14 H10 Cl N3 S -","- C56 H40 Cl4 N12 S4 -","4","1","BK1314","Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.","Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline","Acta Crystallographica Section C","1997","53","7","973","979","10.1107/S0108270197001212","","","0.71073","MoKα","","0.041","0.027","","","0.038","","","","","1.38","1.38","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006276","6.904","0.003","8.431","0.003","9.555","0.006","111.21","0.04","92.02","0.04","107.74","0.04","487.2","0.5","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H10 N4 O -","- C9 H10 N4 O -","- C18 H20 N8 O2 -","2","1","BM1034","Cunningham, Ian D.; Wan, Nan Chi; Povey, David C.; Smith, Gallienus W.; Cox, Brian G.","<i>N</i>-Cyano-<i>N</i>'-(4-methoxyphenyl)guanidine","Acta Crystallographica Section C","1997","53","7","984","985","10.1107/S0108270197003065","","","0.71073","MoKα","","","0.058","","","0.076","","","","","1.026","1.026","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006277","8.5261","0.0007","10.012","0.0007","10.2216","0.0014","90","","90","","90","","872.55","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(N-Boc-amino)acetonitrile","","- C7 H12 N2 O2 -","- C7 H12 N2 O2 -","- C28 H48 N8 O8 -","4","1","BM1121","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","(<i>tert</i>-Butoxycarbonylamino)acetonitrile","Acta Crystallographica Section C","1997","53","7","959","961","10.1107/S0108270197002795","","","1.54178","CuKα","","0.0295","0.0286","","0.0843","0.0831","","","","1.084","1.082","1.082","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006278","14.397","0.008","7.818","0.004","10.506","0.006","90","","99.7","0.03","90","","1165.6","1.1","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ibuprofen","2-(4-Isobutylphenyl)propanoic acid","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","BM1126","Shankland, Norman; Wilson, Chick C.; Florence, Alastair J.; Cox, Philip J.","Refinement of Ibuprofen at 100 K by Single-Crystal Pulsed Neutron Diffraction","Acta Crystallographica Section C","1997","53","","951","954","10.1107/S0108270197003193","","","","","","","0.077","","","0.053","","","","","","","","","","","has coordinates","202021","2020-10-21","18:00:00",""
"2006279","9.186","0.002","22.603","0.006","13.685","0.003","90","","101.6","0.01","90","","2783.4","1.1","143","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(η^6^‒toluene)thallium(I)7,8,9,10,11,12-hexabromo-closo-1-carbaun- decaborate","","- C15 H22 B11 Br6 Tl -","- C15 H22 B11 Br6 Tl -","- C60 H88 B44 Br24 Tl4 -","4","1","BM1128","Mathur, Rajeev S.; Drovetskaya, Tatiana; Reed, Christopher A.","Bis(η^6^-toluene)thallium(I) 7,8,9,10,11,12-Hexabromo-<i>closo</i>-1-carbadodecaborate: a Halocarborane-Bridged Dimer with Heavy Metal‒Arene Interactions","Acta Crystallographica Section C","1997","53","7","881","883","10.1107/S010827019700320X","","","0.71073","MoKα","","0.0741","0.0439","","0.0923","0.082","","","","0.843","1.034","1.034","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006280","15.24","0.002","17.22","0.002","7.8492","0.0008","90.236","0.01","104.33","0.01","79.41","0.01","1960","0.4","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N3 O2 S -","- C21 H25 N3 O2 S -","- C84 H100 N12 O8 S4 -","4","2","BM1130","Helliwell, Madeleine; Zhao, Yuekun; Joule, John A.","An Atypical Conformation of a Toluenesulfonamide","Acta Crystallographica Section C","1997","53","7","884","886","10.1107/S0108270197001492","","","0.7107","MoKα","","0.1037","0.0477","","0.0386","0.0343","","","","1.731","2.024","2.024","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006281","9.616","0.002","10.672","0.002","12.344","0.003","112.87","0.002","100.174","0.003","90.257","0.002","1145.1","0.4","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cd N6 Ni2 O10 -","- C44 H52 Cd N6 Ni2 O10 -","- C44 H52 Cd N6 Ni2 O10 -","1","0.5","BM1135","Ülkü, Dinçer; Tahir, M. Nawaz; Atakol, Orhan; Nazir, Hasan","Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato](<i>N</i>,<i>N</i>-dimethylformamide)nickel(II)}cadmium(II)","Acta Crystallographica Section C","1997","53","7","872","874","10.1107/S0108270197002047","","","0.71073","MoKα","","","0.022","","","0.031","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006282","8.97","0.02","18.89","0.03","8.355","0.008","90","","90","","90","","1416","4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Tetraethyleneneglycol succinate","","- C12 H20 O7 -","- C12 H20 O7 -","- C48 H80 O28 -","4","1","BM1137","Cronin, Leroy; Moore, Madeleine H.; Semlyen, J. Anthony; Wood, Barry R.","A Cyclic Monomer of Tetraethyleneglycol Succinate","Acta Crystallographica Section C","1997","53","7","940","942","10.1107/S0108270197002928","","","0.71069","MoKα","","0.1552","0.0527","","0.3111","0.1395","","","","1.053","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006283","10.838","0.002","18.347","0.004","8.948","0.001","90","","103.34","0.01","90","","1731.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 Ni O2 -","- C19 H21 N2 Ni O2 -","- C76 H84 N8 Ni4 O8 -","4","1","BM1142","Kabak, Mehmet; Elmali, Ayhan; Elerman, Yalçın","[<i>N</i>-(2-Hydroxybenzyl)salicylaldiminato](piperidine)nickel(II)","Acta Crystallographica Section C","1997","53","7","868","870","10.1107/S0108270197004174","","","0.71073","MoKα","","0.0497","0.0433","","0.1289","0.1233","","","","0.736","0.759","0.759","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006284","7.389","0.001","16.073","0.003","12.161","0.002","90","","106.1","0.03","90","","1387.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(20S)-6β-methoxy-20-(p-toluenesulfonoxymethyl)-3α,5- cyclo-5α-pregnane","","- C30 H44 O4 S -","- C30 H44 O4 S -","- C60 H88 O8 S2 -","2","1","BM1146","Ketuly, Kamal A.; Yufit, Dmitrii S.; Brooks, Charles J.W.; Freer, Andrew A.","(20<i>S</i>)-6β-Methoxy-20-(<i>p</i>-toluenesulfonyloxymethyl)-3α,5-cyclo-5α-pregnane","Acta Crystallographica Section C","1997","53","7","981","982","10.1107/S0108270197003570","","","0.71069","MoKα","","0.0942","0.0395","","0.119","0.0948","","","","1.025","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006285","5.335","0.003","7.144","0.004","12.438","0.004","90","","90","","90","","474.1","0.4","298","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ca2 F Na O4 Si -","- Ca1.92 F Na1.08 O4 Si -","- Ca7.68 F4 Na4.32 O16 Si4 -","4","0.5","BR1103","Andaχ c, Ö.; Glasser, F. P.; Howie, R. A.","Dicalcium Sodium Fluoride Silicate","Acta Crystallographica Section C","1997","53","7","831","833","10.1107/S0108270197000449","","","0.71073","MoKα","","","0.047","","","0.06","","","","","0.81","0.81","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006286","18.4783","0.0005","6.5523","0.0002","8.4268","0.0003","90","","91.132","0.002","90","","1020.08","0.06","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetramethylammonium trivanadius heptaoxide","","- C4 H12 N O7 V3 -","- C4 N O7 V3 -","- C16 N4 O28 V12 -","4","1","BR1166","Zavalij, Peter Y.; Chirayil, Thomas; Whittingham, M. Stanley","Layered Tetramethylammonium Vanadium Oxide [N(CH~3~)~4~]V~3~O~7~ by X-ray Rietveld Refinement","Acta Crystallographica Section C","1997","53","7","879","881","10.1107/S0108270197000474","","","1.54178","CuKα","","","0.078","","0.094","0.094","","","","","","","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006287","6.661","0.001","13.652","0.002","15.613","0.002","90","","94.281","0.002","90","","1415.8","0.3","15","","15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 D8 S8 -","- C10 D8 S8 -","- C40 D32 S32 -","4","1","BR1170","Dianna M. Young; Arthur J. Schultz; Aravinda M. Kini; Jack M. Williams","Isotopically Substituted Bis(ethylenedithio)tetrathiafulvalene at 15K by Time-of-Flight Neutron Diffraction","Acta Crystallographica Section C","1997","53","7","961","963","10.1107/S0108270197003077","","neutron","","Pulsedneutron","","","0.062","","","0.058","","","","","1.2","1.2","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006288","7.0565","0.0007","7.0565","0.0007","25.371","0.004","90","","90","","90","","1263.3","0.3","153","2","153","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ba3 S7 Zr2 -","- Ba3 S7 Zr2 -","- Ba12 S28 Zr8 -","4","0.25","BR1173","Yi-Chung Hung; James C. Fettinger; Bryan W. Eichhorn","Ba~3~Zr~2~S~7~, the Low-Temperature Polymorph","Acta Crystallographica Section C","1997","53","7","827","829","10.1107/S0108270197003089","","","0.71073","MoKα","","0.0591","0.0366","","0.0937","0.0846","","","","1.027","1.129","1.129","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006289","16.1059","0.0004","11.5721","0.0002","17.6135","0.0003","90","","90","","90","","3282.79","0.11","296","","","","","","","","","","","5","P b c a","","","","","","- C18 H18 Cu N2 O2 -","- C18 H18 Cu N2 O2 -","- C144 H144 Cu8 N16 O16 -","8","1","CF1145","Jem-Mau Lo; Hsueh-Hua Yao; Fen-Ling Liao; Sue-Lein Wang; Tian-Huey Lu","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-diimino-2-methylpropane]copper(II)","Acta Crystallographica Section C","1997","53","7","848","850","10.1107/S010827019700262X","","","0.71073","MoKα","","","0.0343","","","0.0408","","","","","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006290","18.848","0.004","14.692","0.003","7.333","0.002","90","","92.58","0.03","90","","2028.6","0.8","293.2","","293.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 F12 N4 P2 Pt -","- C12 H16 F12 N4 P2 Pt0.5 -","- C48 H64 F48 N16 P8 Pt2 -","4","0.5","CF1148","Kato, Masako; Kosuge, Chizuko; Yano, Shigenobu; Kimura, Masaru","π-Stacking of [Pt(2,2'-bipyridine)(ethylenediamine)]^2+^ as its Hexafluorophosphate Salt","Acta Crystallographica Section C","1997","53","7","838","840","10.1107/S0108270197002618","","","0.71073","MoKα","","","0.0406","","","0.0511","","","","","1.044","1.044","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006291","10.732","0.002","8.945","0.001","10.145","0.001","90","","115.81","0.01","90","","876.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","E-3,5-Dichloro-3,5-bis(chloromethyl)-1,2,4-trioxolane","","- C4 H4 Cl4 O3 -","- C4 H4 Cl4 O3 -","- C16 H16 Cl16 O12 -","4","1","CF1150","Griesbaum, Karl; McCullough, Kevin J.; Perner, Iris; Quinkert, Ralf-Olaf; Rosair, Georgina M.","(<i>E</i>)-3,5-Dichloro-3,5-bis(chloromethyl)-1,2,4-trioxolane","Acta Crystallographica Section C","1997","53","7","911","913","10.1107/S0108270197003661","","","0.71073","MoKα","","0.0487","0.0362","","0.095","0.0873","","","","1.061","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006292","13.301","0.002","32.674","0.006","20.381","0.005","90","","91.29","0.02","90","","8855","3","210","0.2","210","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[N-(2,6-Diisopropylphenyl)imido-N] bis[N-(2,6-Diisopropylphenyl)amido-N] bis(pyridine-N) zirconium","","- C46 H63 N5 Zr -","- C46 H63 N5 Zr -","- C368 H504 N40 Zr8 -","8","2","CF1159","Blake, Alexander J.; Nikonov, Georgii I.; Mountford, Philip","Bis[<i>N</i>-(2,6-diisopropylphenyl)amido][<i>N</i>-(2,6-diisopropylphenyl)imido]bis(pyridine-<i>N</i>)zirconium","Acta Crystallographica Section C","1997","53","7","874","876","10.1107/S0108270197002606","","","0.71073","MoKα","","0.1324","0.0987","","0.1126","0.0981","","","","","1.14","1.14","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006293","10.161","0.002","15.585","0.003","12.519","0.003","90","","103.95","0.02","90","","1924","0.7","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine","","- C25 H26 N2 -","- C25 H26 N2 -","- C100 H104 N8 -","4","1","DE1050","Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng","1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives","Acta Crystallographica Section C","1997","53","7","956","959","10.1107/S0108270197002746","","","0.71069","MoKα","","0.069","0.047","","0.042","0.041","","","","","4.03","4.03","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006294","10.196","0.001","15.478","0.001","12.664","0.003","90","","106.36","0.01","90","","1917.6","0.5","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Diphenyl-2-tricyclo[3,3,1,1^3,7^]dec -2-ylidenepropane-1-imino-3-one","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","DE1050","Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng","1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives","Acta Crystallographica Section C","1997","53","7","956","959","10.1107/S0108270197002746","","","0.71069","MoKα","","0.08","0.043","","0.034","0.033","","","","","2.8","2.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006295","15.46","0.007","10.128","0.002","12.68","0.003","90","","101.67","0.02","90","","1944.4","1.1","298","","298","","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","1,3-Diphenyl-2-tricyclo[3,3,1,1^3,7^]dec -2-ylidenepropane-1,3-dione","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","0.5","DE1050","Ching-Fa Yao; Yuh-Shih Chen; Wen-Chang Chen; Ren-Shyang Sheu; Jen-Kou Lai; Chuen-Her Ueng","1,3-Diphenyl-2-tricyclo[3.3.1.1^3,7^]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives","Acta Crystallographica Section C","1997","53","7","956","959","10.1107/S0108270197002746","","","0.71069","MoKα","","0.068","0.048","","0.042","0.042","","","","","4.7","4.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006296","8.293","0.001","9.589","0.002","22.698","0.004","90","","90","","90","","1805","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6α,7β-dihydroxyvouacapan-17β-oic acid","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","FG1165","Ruggiero, Silvana Guilardi; Rodrigues, Bernardo Lages; Fernandes, Nelson Goncalves; Stefani, Guglielmo Marconi; Veloso, Dorila Pilo","6α,7β-Dihydroxyvouacapan-17β-oic Acid","Acta Crystallographica Section C","1997","53","7","982","984","10.1107/S0108270196014904","","","0.71073","MoKα","","0.075","0.0492","","0.1581","0.1357","","","","1.216","1.215","1.215","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006297","19.239","0.003","10.5","0.002","15.696","0.002","90","","90","","90","","3170.7","0.9","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Cyclotetra[iodo-methylcyclopentadienyl-μ-oxo-titanium (IV)]","","- C24 H28 I4 O4 Ti4 -","- C24 H28 I4 O4 Ti4 -","- C96 H112 I16 O16 Ti16 -","4","1","FG1201","Kienitz, Carsten O.; Thöne, Carsten; Jones, Peter G.","<i>cyclo</i>-Tetrakis(μ-oxo)tetrakis[iodo(η^5^-methylcyclopentadienyl)titanium(IV)]","Acta Crystallographica Section C","1997","53","7","843","845","10.1107/S0108270196007524","","","0.71073","MoKα","","0.1167","0.0766","","0.186","0.1578","","","","1.018","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006298","7.638","0.002","10.603","0.003","14.364","0.005","107.63","0.02","94.57","0.02","107.12","0.02","1041.2","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","bis(phenyl)-1-carbamoylguanidinium phenylcarbamidonitrilate","","- C22 H21 N7 O2 -","- C22 H21 N7 O2 -","- C44 H42 N14 O4 -","2","1","FG1255","Frank H. Herbstein; Moshe Kapon; Quin-Chuang Yang","Bis(phenyl)-1-carbamoylguanidinium <i>N</i>-Phenylcarbamidonitrilate. Revision of an Earlier Proposal","Acta Crystallographica Section C","1997","53","7","922","925","10.1107/S0108270197003259","","","0.71073","MoKα","","0.0519","0.0389","","0.1007","0.092","","","","1.062","1.091","1.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006299","17.489","0.01","5.415","0.004","21.805","0.012","90","","95.08","0.02","90","","2057","2","178","2","178","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-1-Cyclohexyl-6-methylene-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan- 4-methyl 3'5'-Dintrobenzoate","","- C22 H24 N2 O7 -","- C22 H24 N2 O7 -","- C88 H96 N8 O28 -","4","1","FG1257","Lautens, Mark; Lough, Alan J.; Ren, Yi","(<i>cis</i>-1-Cyclohexyl-6-methylene-3,5,6,6a-tetrahydro-1<i>H</i>-cyclopenta[<i>c</i>]furan-4-yl)methyl 3,5-Dinitrobenzoate","Acta Crystallographica Section C","1997","53","7","936","938","10.1107/S0108270197000917","","","0.71073","MoKα","","0.216","0.076","","0.1038","0.0832","","","","1.141","1.65","1.65","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006300","6.988","0.001","11.254","0.001","11.48","0.002","90","","102.06","0.01","90","","882.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-4-Androsten-3-one-17β-carboxylic Acid","(+)-3-Oxoandrost-4-ene-17β-carboxylic Acid","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","FG1258","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(+)-3-Oxoandrost-4-ene-17β-carboxylic Acid: Catemeric Hydrogen Bonding in a Steroidal Keto Acid","Acta Crystallographica Section C","1997","53","7","903","906","10.1107/S0108270197002515","","","0.71073","MoKα","","0.088","0.053","","0.13","0.113","","","","1.02","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006301","9.994","0.002","4.798","0.002","24.16","0.003","90","","92.94","0.02","90","","1157","0.6","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","benzene-1,3,5-triacetic acid","","","- C12 H12 O6 -","- C12 H12 O6 -","- C48 H48 O24 -","4","1","FG1266","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Interwoven Hydrogen-Bonding Networks in Benzene-1,3,5-triacetic Acid","Acta Crystallographica Section C","1997","53","7","967","969","10.1107/S0108270197002886","","","0.71073","MoKα","","","0.057","","","0.093","","","","","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006302","7.52","0.003","12.03","0.003","13.789","0.005","73.25","0.03","89.47","0.02","89.82","0.02","1194.5","0.7","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","Heptaaquacalcium 1,2-Benzenedisulfonimide","","- C12 H22 Ca N2 O15 S4 -","- C12 H22 Ca N2 O15 S4 -","- C24 H44 Ca2 N4 O30 S8 -","2","1","FG1272","Moers, Oliver; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXIII. Heptaaquacalcium 1,2-Benzenedisulfonimide","Acta Crystallographica Section C","1997","53","7","845","848","10.1107/S0108270197002102","","","0.71073","MoKα","","0.0612","0.0424","","0.1068","0.0928","","","","1.045","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006303","19.515","0.003","5.8352","0.0009","22.854","0.003","90","","90.669","0.009","90","","2602.3","0.7","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Spiro[3-carboxy-1',3'-dihydro-2-methyl-6-oxo-2-cyclohexene-1,2'-[2H]indene]","","- C16 H16 O3 -","- C16 H16 O3 -","- C128 H128 O24 -","8","1","FG1273","Lalancette, Roger A.; Thompson, Hugh W.; Coté, Marie L.","Hydrogen-Bonding Pattern of an α,β-Unsaturated δ-Keto Acid: 1',3'-Dihydro-2-methyl-6-oxospiro[2-cyclohexene-1,2'-2'<i>H</i>-indene]-3-carboxylic Acid","Acta Crystallographica Section C","1997","53","7","901","903","10.1107/S0108270197003260","","","0.71073","MoKα","","0.092","0.0555","","0.148","0.1328","","","","0.904","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006304","13.943","0.002","8.0371","0.0007","14.374","0.001","90","","108.03","0.01","90","","1531.7","0.3","293","2","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","FG1275","Zukerman-Schpector, J.; Caracelli, I.; Malvestiti, Ivani; Cass, Quezia B.; Battiste, Merle A.","Intermediates in the Synthesis of Forskolin. I","Acta Crystallographica Section C","1997","53","7","969","971","10.1107/S0108270197002965","","","0.71073","MoKα","","0.0797","0.046","","0.14","0.1113","","","","1.083","1.065","1.065","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2006305","19.578","0.005","14.508","0.003","7.979","0.002","90","","106.21","0.02","90","","2176.2","0.9","178","2","178","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","1,2,3,4,5,6-hexakispropylidene-cyclohexane","","- C24 H36 -","- C24 H36 -","- C96 H144 -","4","0.5","FG1289","Jones, Peter G.; Bubenitschek, Peter; Höpfner, Thomas; Hopf, Henning","All-<i>E</i>-7,8,9,10,11,12-hexaethyl[6]radialene","Acta Crystallographica Section C","1997","53","7","920","921","10.1107/S0108270197003582","","","0.71073","MoKα","","0.1408","0.0635","","0.2205","0.1576","","","","1.008","0.996","0.996","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006306","12.614","0.004","6.607","0.002","12.921","0.004","90","","94.59","0.03","90","","1073.4","0.6","143","2","143","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,4-Diido-2,5-dimethylhexa-2,4-diene","","- C8 H12 I2 -","- C8 H12 I2 -","- C32 H48 I8 -","4","0.5","FG1291","Jones, Peter G.; Bubenitschek, Peter; Höpfner, Thomas; Hopf, Henning","3,4-Diiodo-2,5-dimethylhexa-2,4-diene","Acta Crystallographica Section C","1997","53","7","918","920","10.1107/S0108270197003594","","","0.71073","MoKα","","0.0228","0.0215","","0.0552","0.054","","","","1.109","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006307","27.001","0.002","27.001","0.002","21.525","0.004","90","","90","","120","","13590","3","173","","173","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C26 H36 I N2 Nd Si2 -","- C26 H36 I N2 Nd Si2 -","- C468 H648 I18 N36 Nd18 Si36 -","18","0.5","FR1006","Clark, David L.; Gordon, John C.; Scott, Brian L.; Watkin, John G.","Iodobis(pyridine-<i>N</i>)bis(η^5^-trimethylsilylcyclopentadienyl)neodymium","Acta Crystallographica Section C","1997","53","7","850","852","10.1107/S0108270196014552","","","0.71073","MoKα","","0.0254","0.0197","","0.043","0.0413","","","","1.058","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006308","8.101","0.002","10.321","0.002","11.145","0.002","65.96","0.03","72.4","0.03","65.93","0.03","766.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C34 H30 Cl2 O6 -","2","1","FR1013","Aygün, Muhi̇tti̇n; Işik, Şami̇l; Şaşmaz, Selami̇; Tahi̇r, M. Nawaz; Erdönmez, Ahmet; Büyükgüngör, Orhan","1-(4-Chlorobenzoyloxy)-2-methoxy-4-(2-propenyl)benzene","Acta Crystallographica Section C","1997","53","7","897","899","10.1107/S0108270197000553","","","0.7107","MoKα","","0.0736","0.0658","","0.1883","0.1785","","","","1.084","1.13","1.13","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006309","10.033","0.009","20.54","0.018","15.464","0.017","90","","94.14","0.07","90","","3178","5","294","1","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Bis(tributylphosphine-1κP)-tetra(benzyl-1κC)-octa- μ3-chloro-octahedro-hexamolybdenum(12 Mo-Mo)","","- C52 H82 Cl8 Mo6 P2 -","- C52 H82 Cl8 Mo6 P2 -","- C104 H164 Cl16 Mo12 P4 -","2","0.5","FR1022","Yamagata, Tsuneaki; Okiyama, Hiroshi; Imoto, Hideo; Saito, Taro","<i>trans</i>-[(Mo~6~Cl~8~)(C~7~H~7~)~4~{P(<i>n</i>-C~4~H~9~)~3~}~2~] and <i>trans</i>-[(Mo~6~Cl~8~)(C~8~H~5~)~4~{P(<i>n</i>-C~5~H~11~)~3~}~2~].2C~7~H~8~","Acta Crystallographica Section C","1997","53","7","859","862","10.1107/S0108270197002266","","","0.71069","Mo_Kα","","","0.062","","","0.0452","","","","","1.111","1.111","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006310","25.241","0.006","10.962","0.001","15.18","0.002","90","","98.78","0.02","90","","4151","1.2","294","1","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H102 Cl8 Mo6 P2 -","- C76 H102 Cl8 Mo6 P2 -","- C152 H204 Cl16 Mo12 P4 -","2","0.5","FR1022","Yamagata, Tsuneaki; Okiyama, Hiroshi; Imoto, Hideo; Saito, Taro","<i>trans</i>-[(Mo~6~Cl~8~)(C~7~H~7~)~4~{P(<i>n</i>-C~4~H~9~)~3~}~2~] and <i>trans</i>-[(Mo~6~Cl~8~)(C~8~H~5~)~4~{P(<i>n</i>-C~5~H~11~)~3~}~2~].2C~7~H~8~","Acta Crystallographica Section C","1997","53","7","859","862","10.1107/S0108270197002266","","","0.71069","Mo_Kα","","","0.057","","","0.0451","","","","","1.205","1.205","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006311","8.567","0.002","12.189","0.002","12.557","0.003","90","","98.05","0.03","90","","1298.3","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","trans,cis,cis,cis-[5,5,5,5]fenestrane","rel-(4S,6R,9S,11S)-1-hydroxy-16-methyl-14-oxapentacyclo- [7.4.3.0^4,15^.0^11,15^.0^6,16^]hexadeca-7-ene","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","FR1026","Wender, Paul A.; deLong, Mitch A.; Wireko, Fred C.","Novel Oxidative Rearrangement Product of the First <i>trans</i>,<i>cis</i>,<i>cis</i>,<i>cis</i>-[5.5.5.5]Fenestrane Derivative","Acta Crystallographica Section C","1997","53","7","954","956","10.1107/S0108270197002278","","","1.54059","CopperKα","","0.0504","0.0469","","0.1257","0.1226","","","","1.08","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006312","10.028","0.006","13.118","0.007","7.321","0.005","90","","107.33","0.04","90","","919.3","1","296","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Mn N2 O6 -","- C20 H16 Mn N2 O6 -","- C40 H32 Mn2 N4 O12 -","2","0.5","FR1028","Okabe, Nobuo; Koizumi, Makiko","Diaquabis(2-quinolinecarboxylato-<i>N</i>,<i>O</i>)manganese(II)","Acta Crystallographica Section C","1997","53","7","852","854","10.1107/S0108270197002801","","","0.71069","MoKα","","","0.035","","","0.043","","","","","1.67","1.67","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006313","21.574","0.001","4.5576","0.0009","17.039","0.002","90","","104.238","0.005","90","","1623.9","0.4","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","Methyl 2-aza-2-deoxy-4,6-di-O-methyl-2-N-(p-nitrophenylamino)-β-D-erythro- hexopyranosid-3-ulose.","","- C14 H19 N3 O7 -","- C14 H19 N3 O7 -","- C56 H76 N12 O28 -","4","1","HA1186","Bernardinelli, Gérald; Tronchet, Jeannine F.; Tronchet, Jean M.J.","Methyl 2-Aza-2-deoxy-4,6-di-<i>O</i>-methyl-2-<i>N</i>-(<i>p</i>-nitrophenylamino)-β-<small>D</small>-<i>erythro</i>-hexopyranosid-3-ulose","Acta Crystallographica Section C","1997","53","7","950","951","10.1107/S0108270197002345","","","1.5418","CuKα","","0.12","0.076","","0.083","0.074","","","","2.172","2.342","2.342","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006314","7.956","0.001","8.456","0.003","24.587","0.004","90","","96.15","0.02","90","","1644.6","0.7","298.2","","298.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl N3 O2 -","- C18 H14 Cl N3 O2 -","- C72 H56 Cl4 N12 O8 -","4","1","HA1188","Daniel E. Bacelo; Osvaldo Cox; Luis A. Rivera; Marisol Cordero; Songping D. Huang","(<i>E</i>,<i>Z</i>)-2-(2-Chloro-5-nitrostyryl)-1-(1-propenyl)benzimidazole","Acta Crystallographica Section C","1997","53","7","907","909","10.1107/S0108270197004071","","","0.7107","MoKα","","","0.0538","","","0.0731","","","","","1.626","1.626","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006315","14.025","0.002","14.025","0.002","14.025","0.002","90","","90","","90","","2758.7","0.7","293","","293","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Be4 N6 O19 -","- Be4 N6 O19 -","- Be32 N48 O152 -","8","0.333333","JZ1166","Haley, Martin J.; Wallwork, Stephen C.; Duffin, Bryan; Logan, Norman; Addison, C. Clifford","Hexa-μ-nitrato-μ~4~-oxo-tetraberyllium","Acta Crystallographica Section C","1997","53","7","829","830","10.1107/S010827019700303X","","","1.54184","CuKα","","","0.047","","","0.025","","","","","1.076","1.076","","","","","has coordinates","207077","2020-10-21","18:00:00",""
"2006316","7.254","0.004","11.914","0.002","14.953","0.002","90","","100.34","0.03","90","","1271.3","0.8","295.2","","295.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Cl N3 O3 -","- C11 H14 Cl N3 O3 -","- C44 H56 Cl4 N12 O12 -","4","1","JZ1177","Chunqiu P. Lai; Liu Bo; Songping D. Huang","4-Amino-2-chloro-6,7-dimethoxyquinazoline Methanol Solvate","Acta Crystallographica Section C","1997","53","7","906","907","10.1107/S0108270197001236","","","0.7107","MoKα","","","0.0416","","","0.0546","","","","","1.484","1.484","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006317","9.933","0.002","17.111","0.003","12.076","0.002","90","","108.21","0.02","90","","1949.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese)","","- C14 H12 Br Mn2 O8 P -","- C14 H12 Br Mn2 O8 P -","- C56 H48 Br4 Mn8 O32 P4 -","4","1","KA1213","Flörke, Ulrich; Haupt, Hans-Jürgen","μ-Bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese) and μ-Bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)","Acta Crystallographica Section C","1997","53","7","876","879","10.1107/S0108270197000735","","","0.71073","MoKα","","0.1277","0.0448","","0.0994","0.0723","","","","1.032","1.069","1.069","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2006318","8.735","0.002","8.953","0.001","13.837","0.004","81.57","0.02","84.59","0.02","74.68","0.02","1030.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","μ-bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)","","- C13 H Br Mn3 O13 P -","- C13 H Br Mn3 O13 P -","- C26 H2 Br2 Mn6 O26 P2 -","2","1","KA1213","Flörke, Ulrich; Haupt, Hans-Jürgen","μ-Bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese) and μ-Bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)","Acta Crystallographica Section C","1997","53","7","876","879","10.1107/S0108270197000735","","","0.71073","MoKα","","0.0616","0.0398","","0.0951","0.0861","","","","1.018","1.067","1.067","","","","","has coordinates","198601","2020-10-21","18:00:00",""
"2006319","10.579","0.001","18.1356","0.0009","17.507","0.002","90","","106.044","0.006","90","","3228","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(dicyclohexylammonium) 2,6-pyridinedicarboxylate dihydrate","","- C31 H55 N3 O6 -","- C31 H55 N3 O6 -","- C124 H220 N12 O24 -","4","1","KH1129","Ng, Seik Weng","Bis(dicyclohexylammonium) 2,6-Pyridinedicarboxylate Dihydrate","Acta Crystallographica Section C","1997","53","7","986","987","10.1107/S010827019700293X","","","0.71073","MoKα","","0.1082","0.0672","","0.1953","0.1748","","","","1.107","1.317","1.317","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006320","7.929","0.001","11.001","0.002","12.436","0.002","75.54","0.01","83.54","0.01","89.78","0.01","1043.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O6 S -","- C23 H21 N O6 S -","- C46 H42 N2 O12 S2 -","2","1","KH1141","Lakshmanan Govindasamy; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A.K.","Ethyl 4,6-Dimethoxy-9-phenylsulfonylcarbazole-3-carboxylate","Acta Crystallographica Section C","1997","53","7","929","931","10.1107/S010827019700351X","","","0.71073","MoKα","","0.046","0.0383","","0.128","0.111","","","","0.626","0.598","0.598","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006321","26.162","0.007","26.162","0.007","13.633","0.005","90","","90","","120","","8081","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","tetrakis(μ-benzoato-O:O')-bis(urea-O')dicopper(II),","","- C30 H28 Cu2 N4 O10 -","- C30 H28 Cu2 N4 O10 -","- C270 H252 Cu18 N36 O90 -","9","0.5","MU1294","Leban, Ivan; Grgurevič, Nikolaj; Sieler, Joachim; Šegedin, Primož","Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis(urea)-1κ<i>O</i>,2κ<i>O</i>-dicopper(II)","Acta Crystallographica Section C","1997","53","7","854","856","10.1107/S0108270197003387","","","0.71073","MoKα","","0.1588","0.0621","","0.2588","0.1985","","","","0.99","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006322","9.673","0.008","11.935","0.009","11.478","0.008","90","","105.22","","90","","1278.6","1.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H29 Cl3 Mo N2 O4 -","- C23 H28 Cl3 Mo N2 O4 -","- C46 H56 Cl6 Mo2 N4 O8 -","2","1","MU1300","Elias, Horst; Stock, Frank; Röhr, Caroline","A Dioxomolybdenum(VI) Complex with a New Enantiomerically Pure Tetrahydrosalen Ligand","Acta Crystallographica Section C","1997","53","7","862","864","10.1107/S0108270197003375","","","0.7107","MoKα","","0.0391","0.0389","","0.1014","0.101","","","","1.066","1.068","1.068","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006323","15.0089","0.0014","16.952","0.002","22.124","0.002","90","","96.172","0.006","90","","5596.4","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,7-dihydro-8-(4-methyl-1-piperazinyl)[1]benzoxepino[4,5-c]quinoline","","- C22 H23.26 N3 O1.13 -","- C22 H23.2867 N3 O1.14333 -","- C264 H279.44 N36 O13.72 -","12","3","NA1266","Giorgi, Gianluca; Cappelli, Andrea; Anzini, Maurizio; Vomero, Salvatore; Marchetti, Fabio","Characterization of Quinoline Derivatives. I. 6,7-Dihydro-8-(4-methyl-1-piperazinyl)[1]benzoxepino[4,5-<i>c</i>]quinoline 0.13-Hydrate","Acta Crystallographica Section C","1997","53","7","987","990","10.1107/S0108270196014564","","","0.71073","MoKα","","0.1875","0.0694","","0.1628","0.1143","","","","0.934","1.212","1.212","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2006324","11.52","0.001","4.7","0.001","12.04","0.001","90","","95.44","0.01","90","","648.96","0.16","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C13 H24 N2 O -","- C13 H24 N2 O -","- C26 H48 N4 O2 -","2","0.5","NA1270","Govindasamy, L.; Subramanian, E.","<i>N</i>,<i>N</i>'-Dicyclohexylurea","Acta Crystallographica Section C","1997","53","7","927","928","10.1107/S0108270197003399","","","1.5418","CuKα","","0.123","0.0646","","0.1807","0.161","","","","0.93","1.127","1.127","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006325","10.956","0.001","14.626","0.001","7.606","0.001","93.66","0.01","92.06","0.01","92.59","0.01","1214.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N2 O6 S2 -","- C26 H22 N2 O6 S2 -","- C52 H44 N4 O12 S4 -","2","1","NA1278","Subramanian, E.; Govindasamy, L.; Ravichandran, K.","<i>trans</i>-Methyl 2,9-Bis(phenylsulfonyl)-1,2,3,4-tetrahydro-4-β-carbolinylideneacetate","Acta Crystallographica Section C","1997","53","7","925","927","10.1107/S010827019700228X","","","0.71069","MoKα","","0.0798","0.0435","","0.1657","0.1037","","","","1.074","0.833","0.833","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006326","9.826","0.002","17.899","0.004","10.307","0.002","90","","115.56","0.03","90","","1635.3","0.7","291","1","291","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,7-Bis[4'-chlorophenyl]-3,8-dihydro-1,2,5,6-dithiadiazocine","","- C16 H12 Cl2 N2 S2 -","- C16 H12 Cl2 N2 S2 -","- C64 H48 Cl8 N8 S8 -","4","1","NA1282","Beate M. Rymarczyk; Hans Preut; Richard P. Kreher","An Eight-Membered N,N,S,S-Heterocyclic Compound: 4,7-Bis(4-chlorophenyl)-3,8-dihydro-1,2,5,6-dithiadiazocine","Acta Crystallographica Section C","1997","53","7","931","933","10.1107/S0108270197002588","","","0.71069","MoKα","","0.0908","0.0629","","0.177","0.1637","","","","0.988","1.166","1.166","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006327","8.8496","0.0013","14.8198","0.0019","8.3661","0.0014","90","","92.221","0.005","90","","1096.4","0.3","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl6 O2 -","- C18 H22 Cl6 O2 -","- C36 H44 Cl12 O4 -","2","1","NA1283","Ülkü, Dinçer; Tahir, M. Nawaz; Demir, Ayhan S.; Akhmedov, Idris, M.; Tanyeli, Cihangir","Configuration of the Diels‒Alder Adduct of Hexachlorocyclopentadiene with <small>L</small>-Menthyl Acrylate","Acta Crystallographica Section C","1997","53","7","899","901","10.1107/S0108270197003533","","","0.71069","MoKα","","","0.049","","","0.056","","","","","1.18","1.18","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006328","9.672","0.003","9.672","0.003","9.834","0.003","90","","90","","120","","796.7","0.4","298","","298","","","","","","","","","5","P -3","-P 3","147","manganese fluorosilicate hexahydrate","manganese hexafluorosilicate-water (1/6)","","- F6 H12 Mn O6 Si -","- F6 H12 Mn O6 Si -","- F18 H36 Mn3 O18 Si3 -","3","0.5","OH1098","Torii, Akira; Ogawa, Kazuhide; Tamura, Hatsue; Osaki, Kenji","Room-Temperature Form of Manganese Hexafluorosilicate Hexahydrate: a New Model with Submicroscopic Twinning","Acta Crystallographica Section C","1997","53","7","833","836","10.1107/S0108270196015454","","","1.5418","CuKα","","","0.04","","","0.04","","","","","1.39","1.39","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006329","5.7009","0.0008","10.509","0.002","9.42","0.002","123.78","0.01","102.66","0.01","94.08","0.01","444.53","0.16","293","","293","","","","","","","","","2","P -1","-P 1","2","","","","- C18 F16 -","- C18 F16 -","- C18 F16 -","1","0.5","PA1195","Swenson, Dale C.; Morken, Peter A.; Burton, Donald J.","Three <i>trans</i>-Diphenylperfluorotrienes","Acta Crystallographica Section C","1997","53","7","946","950","10.1107/S0108270197000504","","","0.71073","MoKα","","0","0.053","","","0.061","","","","","1.031","1.031","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006330","5.899","0.0007","9.509","0.001","9.304","0.001","102.75","0.01","94.62","0.01","115.92","0.01","448.4","0.1","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H10 F10 -","- C20 H10 F10 -","- C20 H10 F10 -","1","0.5","PA1195","Swenson, Dale C.; Morken, Peter A.; Burton, Donald J.","Three <i>trans</i>-Diphenylperfluorotrienes","Acta Crystallographica Section C","1997","53","7","946","950","10.1107/S0108270197000504","","","1.54184","CuKα","","0","0.042","","","0.067","","","","","1.194","1.194","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006331","10.2071","","17.6882","","5.9376","","90","","97.52","","90","","1062.79","","291","","291","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F14 -","- C22 H10 F14 -","- C44 H20 F28 -","2","0.5","PA1195","Swenson, Dale C.; Morken, Peter A.; Burton, Donald J.","Three <i>trans</i>-Diphenylperfluorotrienes","Acta Crystallographica Section C","1997","53","7","946","950","10.1107/S0108270197000504","","","0.71073","MoKα","","0","0.052","","","0.065","","","","","1.057","1.057","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006332","14.156","0.001","19.536","0.003","9.2244","0.0004","90","","105.01","0.003","90","","2464","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","di-μ-bromo-bis{[(2,4,6-tris-tert-butylphenyl)phosphanediylmethyl-P]phenyl)- dipalladium","","- C50 H68 Br2 P2 Pd2 -","- C50 H68 Br2 P2 Pd2 -","- C100 H136 Br4 P4 Pd4 -","2","0.5","PA1251","Chentit, Mostafa; Geoffroy, Michel; Bernardinelli, Gérald","Di-μ-bromo-bis{[(2,4,6-tris-<i>tert</i>-butylphenyl)phosphanediylmethyl-<i>P</i>]phenyl-<i>C</i>^2^}dipalladium","Acta Crystallographica Section C","1997","53","7","866","868","10.1107/S0108270197003235","","","1.54183","CuKα","","0.055","0.043","","0.035","0.034","","","","2.228","2.399","2.399","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006333","11.379","0.002","21.004","0.004","15.488","0.003","90","","94.26","0.03","90","","3691.5","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis bistriphenylphosphineimine dodecasulfurdiirion","","- C72 H60 Fe2 N2 P4 S12 -","- C72 H60 Fe2 N2 P4 S12 -","- C144 H120 Fe4 N4 P8 S24 -","2","0.5","QB0004","van Hal, Jaap W.; Whitmire, Kenton H.","Bis[bis(triphenylphosphine)iminium] Di-μ-thio-bis[(pentasulfido)ferrate(III)]","Acta Crystallographica Section C","1997","53","7","IUC9700008","","10.1107/S0108270197099484","","","0.71073","MoKα","","0.0701","0.0398","","0.1176","0.0946","","","","1.037","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006334","7.318","0.0015","5.673","0.0011","9.989","0.002","90","","110.79","0.03","90","","387.69","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","oxazolidinone","2-oxazolidinone","","- C3 H5 N O2 -","- C3 H5 N O2 -","- C12 H20 N4 O8 -","4","1","SK1055","Wouters, Johan; Ooms, Frederic; Durant, Francois","2-Oxazolidinone","Acta Crystallographica Section C","1997","53","7","895","897","10.1107/S0108270197003752","","","1.54178","CuKα","","0.0395","0.039","","0.1","0.0995","","","","1.12","1.134","1.134","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006335","11.735","0.001","9.683","0.001","11.985","0.001","90","","118.87","0.01","90","","1192.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S)-cis-1-benzyloxycarbonyl-(5R)-(2S-hydroxyphenylethyl)-proline tert-butyl ester","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C50 H62 N2 O10 -","2","1","SK1080","Soave, Raffaella; Roversi, Pietro; Destro, Riccardo","Two 1,5-Disubstituted Proline Esters","Acta Crystallographica Section C","1997","53","7","933","936","10.1107/S0108270197001248","","","0.71073","MoKa","","0.0354","0.0299","","0.0827","0.0802","","","","1.018","1.067","1.067","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2006336","11.456","0.001","9.708","0.001","12.024","0.001","90","","116.79","0.01","90","","1193.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S)-cis-1-benzyloxycarbonyl-(5R)-(2R-hydroxyphenylethyl)-proline tert-butyl ester.","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C50 H62 N2 O10 -","2","1","SK1080","Soave, Raffaella; Roversi, Pietro; Destro, Riccardo","Two 1,5-Disubstituted Proline Esters","Acta Crystallographica Section C","1997","53","7","933","936","10.1107/S0108270197001248","","","0.71073","MoKa","","0.0487","0.031","","0.0676","0.0633","","","","0.891","0.992","0.992","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006337","5.946","0.002","16.441","0.004","9.582","0.002","90","","100.14","0.02","90","","922.1","0.4","292","","292","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2-pyridinium)urea perchlorate","","- C6 H8 Cl N3 O5 -","- C6 H8 Cl N3 O5 -","- C24 H32 Cl4 N12 O20 -","4","1","SK1081","Velichka Velikova; Olyana Angelova; Rosica Petrova; Krasimir Kossev","<i>N</i>-(2-Pyridinium)urea Perchlorate","Acta Crystallographica Section C","1997","53","7","971","973","10.1107/S0108270197003156","","","0.71073","MoKα","","0.0638","0.0363","","0.0824","0.0737","","","","0.948","1.042","1.042","","","","","has coordinates","190725","2020-10-21","18:00:00",""
"2006338","12.041","0.002","10.731","0.002","13.011","0.002","90","","106.49","0.02","90","","1612","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β,4β-Epoxy-5β-androstan-17-one'","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","2","SK1084","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3β,4β-Epoxy-5β-androstan-17-one","Acta Crystallographica Section C","1997","53","7","938","940","10.1107/S0108270197002138","","","0.71073","MoKα","","0.0708","0.0383","","0.0958","0.0872","","","","1.027","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006339","4.7378","0.0003","7.5284","0.0006","13.1036","0.0011","87.836","0.007","86.108","0.006","77.183","0.006","454.56","0.06","130","2","130","2","","","","","","","","4","P 1","P 1","1","lactosylurea","4-O-beta-D-galactopyranosyl-D-glucopyranosyl urea","","- C13 H28 N2 O13 -","- C13 H28 N2 O13 -","- C13 H28 N2 O13 -","1","1","SX1015","Marilyn M. Olmstead; Ming Hu; Mark J. Kurth; John M. Krochta; You-Lo Hsieh","Lactosylurea Dihydrate","Acta Crystallographica Section C","1997","53","7","915","916","10.1107/S0108270197002849","","","1.54178","CuKα","","0.0275","0.0271","","0.0694","0.0689","","","","1.072","1.072","1.072","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006340","14.58","0.002","18.5345","0.001","6.4477","0.0001","90","","90","","90","","1742.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5,2'-dithien-2-yl)-2'-deoxyuridine","","- C17 H16 N2 O5 S2 -","- C17 H16 N2 O5 S2 -","- C68 H64 N8 O20 S8 -","4","1","SX1017","Wouters, J.; Creuven, I.; Norberg, B.; Evrard, G.; Durant, F.; van Aerschot, A.; Herdewijn, P.","<i>trans</i>- and <i>cis</i>-S—C—C—S Conformations in 5-(2,2'-Dithien-5-yl)-2'-deoxyuridine","Acta Crystallographica Section C","1997","53","7","892","895","10.1107/S0108270197002813","","","1.5418","CuKα","","0.048","0.0461","","0.116","0.1135","","","","1.065","1.077","1.077","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006341","8.698","0.003","5.819","0.003","10.032","0.003","90","","107.48","0.03","90","","484.3","0.3","150","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-α-methyl-4-carboxyphenylglycine","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C20 H22 N2 O8 -","2","1","SX1018","Wilson, Claire; Howard, Judith A. K.; Jane, David E.; Sunter, David C.; Watkins, Jeffrey C.","Absolute Configuration of (+)-α-Methyl-4-carboxyphenylglycine (MCPG), a Metabotropic Glutamate Receptor Antagonist","Acta Crystallographica Section C","1997","53","7","909","911","10.1107/S0108270197003223","","","1.54178","CuKα","","0.0502","0.0346","","0.1397","0.0881","","","","1.065","1.001","1.001","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006342","8.9803","0.0008","16.3083","0.001","9.2752","0.0007","90","","93.541","0.007","90","","1355.79","0.18","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(6Z,8Z)-2,4,6-Trimethyl-8-phenyl-7-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","SX1020","Prakash, Gautam; Fettinger, James C.; Falvey, Daniel E.","(6<i>Z</i>,8<i>Z</i>)-2,4,6-Trimethyl-8-phenyl-7-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione","Acta Crystallographica Section C","1997","53","7","979","981","10.1107/S0108270197002850","","","0.71073","MoKα","","0.0597","0.0422","","0.1083","0.0967","","","","1.038","1.066","1.066","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006343","13.133","0.004","18.932","0.006","14.646","0.009","90","","95.7","0.03","90","","3623","3","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H38 Mo5 N4 O23 P2 -","- C20 H34 Mo5 N4 O23 P2 -","- C80 H136 Mo20 N16 O92 P8 -","4","1","TA1124","Harrison, William T. A.; Dussack, Laurie L.; Jacobson, Allan J.","Bis(piperazinium) Pentakis(trioxomolybdo)bis(phenylphosphonate) Dihydrate","Acta Crystallographica Section C","1997","53","7","856","859","10.1107/S0108270197002989","","","0.71073","MoKα","","0.022","0.022","","0.035","0.035","","","","","1.84","1.84","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006344","13.214","0.003","16.145","0.002","44.872","0.002","90","","91.039","0.009","90","","9571","3","213","1","213","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H162 Co2 N4 O9 -","- C92 H162 Co2 N4 O9 -","- C368 H648 Co8 N16 O36 -","4","0.5","TA1127","Robert W. Corkery; David C.R. Hockless","A Water-Bridged Dinuclear Complex of Cobalt(II), Pyridine and Stearic Acid","Acta Crystallographica Section C","1997","53","7","840","843","10.1107/S010827019700259X","","","1.5418","CuKα","","","0.051","","","0.0607","","","","","2.306","2.306","","","","","has coordinates","208362","2020-10-21","18:00:00",""
"2006345","7.5893","0.0004","7.9361","0.0005","12.793","0.0007","104.427","0.004","95.662","0.004","90.264","0.004","742.24","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Strontiumnitratoacetate-Hemitrihydrate","","","- C2 H6 N O6.5 Sr -","- C2 H6 N O6.5 Sr -","- C8 H24 N4 O26 Sr4 -","4","2","TA1134","Lengauer, Christian L.; Giester, Gerald","Strontium Acetate Nitrate Trihydrate, [Sr~2~(CH~3~COO)~2~(NO~3~)~2~(H~2~O)~3~]","Acta Crystallographica Section C","1997","53","7","870","872","10.1107/S0108270197002990","","","0.71073","MoKα","","0.0484","0.0274","","0.061","0.0563","","","","1.043","1.113","1.113","","","","","has coordinates","223448","2020-10-21","18:00:00",""
"2006346","14.674","0.006","16.365","0.008","15.233","0.006","90","","111.39","0.03","90","","3406","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl2 N Ru -","- C17 H23 Cl2 N Ru -","- C136 H184 Cl16 N8 Ru8 -","8","2","TA1142","Andrew J. Steedman; Anthony K. Burrell","Dichloro(η^6^-hexamethylbenzene)(pyridine-<i>N</i>)ruthenium","Acta Crystallographica Section C","1997","53","7","864","866","10.1107/S0108270197003004","","","0.71073","MoKα","","0.0631","0.0327","","0.0949","0.0832","","","","1.049","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006347","14.074","0.002","15.738","0.002","13.588","0.002","96.82","0.01","100.61","0.01","74.63","0.01","2844.7","0.7","294","","294","","","","","","","","","5","P -1","-P 1","2","","(4RS,1'RS)-methyl 1-phenyl-2-piperidinoethyl 1,4-dihydro-2,6-dimethyl-4-(2- thienyl)pyridine-3,5-dicarboxylate methanol solvate","","- C28.5 H38 N2 O5.5 S -","- C27.5 H27 Hc9 Hn N2 O5.5 S2 -","- C110 H108 Hc36 Hn4 N8 O22 S8 -","4","2","VJ1043","Marubayashi, Nobuhiro; Mishina, Tadashi; Hamasaki, Toshio; Hirayama, Noriaki","(4<i>RS</i>,1'<i>RS</i>)-Methyl 1-Phenyl-2-piperidinoethyl 1,4-Dihydro-2,6-dimethyl-4-(2-thienyl)pyridine-3,5-dicarboxylate Methanol Solvate, C~27~H~32~N~2~O~4~S.1.5CH~4~O","Acta Crystallographica Section C","1997","53","7","913","915","10.1107/S0108270197000528","","","1.54184","Cu-Kα","","0.056","0.049","","","0.07","","","","","1.884","1.884","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2006348","5.911","0.004","7.474","0.003","16.366","0.003","100.55","0.03","91.9","0.03","91.62","0.04","710","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-[2-(napthylenyl)]-3-(4-chlorophenyl)-2-propen-1-one","","- C19 H13 Cl O -","- C19 H13 Cl O -","- C38 H26 Cl2 O2 -","2","1","VJ1049","S.Shanmuga Sundara Raj; M.N.Ponnuswamy; G.Shanmugam; S.Nanjundan","3-(4-Chlorophenyl)-1-(2-naphthyl)prop-2-enone","Acta Crystallographica Section C","1997","53","7","917","918","10.1107/S0108270197000668","","","1.5418","CuKα","","0.0619","0.0563","","0.173","0.1652","","","","1.066","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006349","10.055","0.003","22.575","0.004","18.227","0.005","90","","99.359","0.012","90","","4082.3","1.8","291","1","291","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Triphenylsilyl(thiophenyl-2)triphenylphosphonium perrhenate dichloromethane solvate","","- C43 H36 Cl2 O4 P Re S Si -","- C43 H36 Cl2 O4 P Re S Si -","- C172 H144 Cl8 O16 P4 Re4 S4 Si4 -","4","1","AB1433","Miller, John R.; Lu, Canzhong; Zheng, Yifan","Triphenyl[2-(triphenylsilyl)phenylthio]phosphonium Tetraoxorhenate(1‒)‒Dichloromethane (1/1)","Acta Crystallographica Section C","1997","53","8","1039","1041","10.1107/S0108270197003922","","","0.71073","MoKα","","0.0702","0.0308","","0.0892","0.076","","","","1.03","1.073","1.073","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006350","8.025","0.001","19.844","0.003","8.37","0.001","90","","97.44","0.01","90","","1321.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-Bromo-4,5-dimethoxyphenyl)-2-(N,N-dimethylamino)acetonitrile","","- C12 H15 Br N2 O2 -","- C12 H15 Br N2 O2 -","- C48 H60 Br4 N8 O8 -","4","1","AB1437","SanMartín, Raúl; Olivera, Roberto; Domínguez, Esther; Pizarro, José Luis; Arriortua, María Isabel","2-(2-Bromo-4,5-dimethoxyphenyl)-2-(dimethylamino)acetonitrile","Acta Crystallographica Section C","1997","53","8","1141","1143","10.1107/S0108270197004605","","","0.7107","MoKα","","0.2572","0.029","","0.1162","0.0414","","","","0.852","0.622","0.622","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006351","9.5433","0.0005","11.0572","0.0007","13.0444","0.0005","78.84","0.004","89.737","0.004","89.7","0.004","1350.42","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4-BENZYL-5-ETHYLTHIO-3H-1,2-DITHIOLE-3-THIONE","","- C12 H12 S4 -","- C12 H12 S4 -","- C48 H48 S16 -","4","2","AB1441","Baggio, Ricardo; Vega, Daniel; Mario L. Aimar; Rita H. de Rossi; Javier Ellena","4-Benzyl-5-ethylthio-3<i>H</i>-1,2-dithiole-3-thione","Acta Crystallographica Section C","1997","53","8","1125","1127","10.1107/S0108270197003697","","","1.54184","CuKα","","0.056","0.049","","0.137","0.132","","","","1.12","1.164","1.164","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006352","7.4083","0.0001","8.5172","0.0001","14.9425","0.0001","87.42","0.01","78.71","0.01","77.57","0.01","902.92","0.05","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Cu N6 O12 -","- C34 H40 Cu N6 O12 -","- C34 H40 Cu N6 O12 -","1","0.5","AB1457","Hökelek, Tuncer; Budak, Kıvanç; Necefoğlu, Hacali","<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)bis(4-nitrobenzoato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1997","53","8","1049","1051","10.1107/S0108270197004915","","","0.71073","MoKα","","","0.056","","","0.0479","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006353","11.1118","0.0013","10.3425","0.0011","6.219","0.002","90","","103.75","0.02","90","","694.2","0.3","143","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Diallysulfide","di-2-propenylsulfide","","- C6 H10 S -","- C6 H10 S -","- C24 H40 S4 -","4","0.5","AV1003","Bartkowska, Beata; Krüger, Carl","Diallyl Sulfide and Diallyl Disulfide","Acta Crystallographica Section C","1997","53","8","1064","1066","10.1107/S0108270197004368","","","0.71069","MoKα","","0.0409","0.0395","","0.1002","0.0998","","","","1.221","1.248","1.248","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006354","5.3456","0.0012","13.94","0.003","10.8447","0.001","90","","96.152","0.013","90","","803.5","0.3","168","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Diallyldisulfide","di-2-propenyldisulfide","","- C6 H10 S2 -","- C6 H10 S2 -","- C24 H40 S8 -","4","1","AV1003","Bartkowska, Beata; Krüger, Carl","Diallyl Sulfide and Diallyl Disulfide","Acta Crystallographica Section C","1997","53","8","1064","1066","10.1107/S0108270197004368","","","0.71069","MoKα","","0.0537","0.0498","","0.1376","0.1355","","","","1.059","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006355","8.9952","0.0013","20.46","0.002","9.864","0.002","90","","90","","90","","1815.4","0.5","98","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Tetravinylsilane","Tetraethenylsilane","","- C8 H12 Si -","- C8 H12 Si -","- C64 H96 Si8 -","8","1","AV1004","Bartkowska, Beata; Krüger, Carl","Tetravinylsilane","Acta Crystallographica Section C","1997","53","8","1066","1068","10.1107/S010827019700437X","","","0.71069","MoKα","","0.0463","0.0399","","0.1268","0.1222","","","","1.027","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006356","28.818","0.007","21.357","0.002","13.668","0.006","90","","116.29","0.03","90","","7542","4","153","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H33 Cl N3 O17 Re -","- C35 H33 Cl N3 O17 Re -","- C280 H264 Cl8 N24 O136 Re8 -","8","1","BK1234","Absi, Michelle; Stern, Charlotte L.; Yoon, Dong I.; Hupp, Joseph T.","A Crown-Linked Donor‒Acceptor Assembly Containing Re^I^(diimine)(CO)~3~Cl and Nitrobenzene Components","Acta Crystallographica Section C","1997","53","8","1054","1055","10.1107/S010827019700036X","","","0.71069","MoKα","","","0.03","","","0.035","","","","","1.51","1.51","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006357","20.527","0.002","6.144","0.002","8.604","0.002","90","","90.08","0.02","90","","1085.1","0.4","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","anthracene-1-carboxylic acid","anthracene-1-carboxylic acid","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","BK1321","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Anthracene-1-carboxylic Acid","Acta Crystallographica Section C","1997","53","8","1080","1082","10.1107/S0108270197004927","","","0.71073","MoKα","","","0.054","","","0.053","","","","","1.56","1.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006358","7.356","0.001","8.986","0.002","9.544","0.002","74.37","0.03","89.69","0.03","89.34","0.03","607.5","0.2","294","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H16 Cl Co N4 O7 -","- C5 H16 Cl Co N4 O7 -","- C10 H32 Cl2 Co2 N8 O14 -","2","1","BM1124","Huai-Ming Hu; Hong-Sui Sun; Chun-Ying Duan; Qun Zhao; Xiao-Zeng You","(Carbonato-<i>O</i>,<i>O</i>')bis(1,2-ethanediamine-<i>N</i>,<i>N</i>')cobalt(III) Perchlorate","Acta Crystallographica Section C","1997","53","8","1014","1015","10.1107/S0108270197004083","","","0.71073","MoKα","","0.0859","0.0672","","0.1937","0.1752","","","","1.091","1.199","1.199","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006359","8.034","0.006","9.039","0.007","11.493","0.009","106.15","0.06","92.75","0.06","106.74","0.06","760.2","1.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-(2,4-Diacetoxyphenyl)-2-phenylethanone","","- C18 H16 O5 -","- C18 H16 O5 -","- C36 H32 O10 -","2","1","BM1147","Pati, Hari N.; Parmar, Virinder S.; Errington, William","1-(2,4-Diacetoxyphenyl)-2-phenylethanone","Acta Crystallographica Section C","1997","53","8","1161","1162","10.1107/S0108270197004253","","","0.71073","MoKα","","0.0637","0.0429","","0.1236","0.109","","","","1.043","1.106","1.106","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006360","10.598","0.002","24.577","0.003","11.378","0.004","90","","104.24","0.02","90","","2872.5","1.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(Tetra(thf))lithium(I) Tetrachloro di(μ-chloro) bis(thf)dibismuthate(III)","","- C20 H40 Bi Cl4 Li O5 -","- C20 H40 Bi Cl4 Li O5 -","- C80 H160 Bi4 Cl16 Li4 O20 -","4","1","BM1150","James, Sian C.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Tetrahydrofuran Adducts of a Chlorobismuthate(III) Anion and Antimony Triiodide","Acta Crystallographica Section C","1997","53","8","1024","1027","10.1107/S0108270197004009","","","0.71073","MoKα","","0.1236","0.0498","","0.0863","0.0716","","","","0.854","0.994","0.994","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006361","7.92871","0.00011","12.663","0.002","11.447","0.003","90","","94.116","0.003","90","","1146.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Antimony(III)iodide tetrahydrofuran","","- C4 H8 I3 O Sb -","- C4 H8 I3 O Sb -","- C16 H32 I12 O4 Sb4 -","4","1","BM1150","James, Sian C.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Tetrahydrofuran Adducts of a Chlorobismuthate(III) Anion and Antimony Triiodide","Acta Crystallographica Section C","1997","53","8","1024","1027","10.1107/S0108270197004009","","","0.71073","MoKα","","0.0303","0.0247","","0.0565","0.055","","","","0.818","0.883","0.883","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006362","6.7504","0.0005","6.7504","","8.265","0.001","90","","90","","90","","376.62","0.05","295","","295","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Ag2 As K S4 -","- Ag2 As K S4 -","- Ag4 As2 K2 S8 -","2","0.125","BR1149","Schimek, George L.; Kolis, Joseph W.","KAg~2~AsS~4~","Acta Crystallographica Section C","1997","53","8","991","992","10.1107/S0108270197000450","","","0.71073","MoKα","","","0.0241","","","0.0217","","","","","1.64","1.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006363","15.634","0.002","8.479","0.001","23.404","0.003","90","","108.6","0.01","90","","2940.4","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","dipotassium(+) bis[1,4,7,10,13,16-hexaoxacyclooctadecane- potassium(+)] hexaselenodistannate (4-) tetraethylenediamine","","- C32 H80 K4 N8 O12 Se6 Sn2 -","- C32 H80 K4 N8 O12 Se6 Sn2 -","- C64 H160 K8 N16 O24 Se12 Sn4 -","2","0.5","BR1163","Borrmann, Horst; Pirani, Ayaaz M.; Schrobilgen, Gary J.","(K^+^)~2~(18-crown-6-K^+^)~2~[Sn~2~Se~6~]^4{-^}.4en: an [Sn~2~Se~6~]^4{-^} Anion with a Short Sn","Acta Crystallographica Section C","1997","53","8","1004","1006","10.1107/S0108270197004939","","","0.71073","MoKα","","0.0365","0.0298","","0.08","0.0753","","","","1.033","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006364","6.6934","0.0004","9.1833","0.0005","10.1469","0.0006","69.479","0.001","77.218","0.001","75.761","0.001","559.88","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","hydrated zinc arsenate","tris(zinc arsenate) tetrahydrate","","- As6 H8 O28 Zn9 -","- As6 O28 Zn9 -","- As6 O28 Zn9 -","1","0.5","BR1175","Pingyun Feng; Xianhui Bu; Galen D. Stucky","A Synthetic Hydrated Zinc Arsenate Constructed from Tetrahedral, Trigonal Bipyramidal and Octahedral Zinc Polyhedra: [Zn~3~(AsO~4~)~2~]~3~.4H~2~O","Acta Crystallographica Section C","1997","53","8","997","1000","10.1107/S0108270197004095","","","0.71073","MoKα","","0.051","0.0458","","0.1065","0.1051","","","","0.982","1.075","1.075","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006365","11.14","0.002","12.358","0.002","20.727","0.004","87.34","0.03","85.66","0.03","88.21","0.03","2841.1","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis[4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane- potassium(+1)] eclipsed-decacarbonyldichromate(2-).","","- C46 H72 Cr2 K2 N4 O22 -","- C46 H72 Cr2 K2 N4 O22 -","- C92 H144 Cr4 K4 N8 O44 -","2","1","BR1178","Horst Borrmann; Ayaaz M. Pirani; Gary J. Schrobilgen","[2,2,2-Crypt-K]~2~[Cr~2~(CO)~10~]: the First Dinuclear Metal Decacarbonyl Dianion Structure with an Eclipsed Geometry","Acta Crystallographica Section C","1997","53","8","1007","1010","10.1107/S0108270197004320","","","0.71073","MoKα","","0.039","0.0295","","0.0833","0.0767","","","","0.989","1.012","1.012","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006366","21.4587","0.0001","14.9163","0.0003","17.851","0.0003","90","","95.118","0.001","90","","5691.05","0.15","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28.5 I N4.5 O3 Sn -","- C28 H28.5 I N4.5 O3 Sn -","- C224 H228 I8 N36 O24 Sn8 -","8","2","BS1015","Watson, Suzanne; Errington, William; Fenn, David; Moore, Peter; Wallbridge, Malcolm G.H.","{Tris[<i>N</i>-(salicylidene)-2-aminoethyl]amine}tin(IV) Iodide Acetonitrile Solvate","Acta Crystallographica Section C","1997","53","8","1031","1034","10.1107/S0108270197003855","","","0.71073","MoKα","","0.0536","0.0369","","0.0975","0.0788","","","","1.14","1.122","1.122","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006367","14.33","0.001","16.39","0.003","8.484","0.001","90","","97.4","0.01","90","","1976","0.5","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1-(8,8-Dicyanoheptafulven-3-yl)aza-15-crown-5 Ether","N-(5-Dicyanomethylenecyclohepta-1,3,6- trienyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane","","- C20 H25 N3 O4 -","- C20 H25 N3 O4 -","- C80 H100 N12 O16 -","4","1","BS1019","Kubo, Kanji; Kato, Nobuo; Mori, Akira; Takeshita, Hitoshi","1-(8,8-Dicyanoheptafulven-3-yl)aza-15-crown-5 Ether","Acta Crystallographica Section C","1997","53","8","1136","1137","10.1107/S010827019700512X","","","1.54184","CuKα","","0.0651","0.0504","","0.1491","0.1354","","","","1.051","1.08","1.08","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006368","17.229","0.003","10.817","0.005","14.851","0.006","90","","110.78","0.03","90","","2587.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(3-methyl-2,4-pentanedionato)(N,N-bis(2-chloroethyl)1,2-ethane diamine)cobalt(III) perchlorate","","- C18 H32 Cl3 Co N2 O8 -","- C18 H32 Cl3 Co N2 O8 -","- C72 H128 Cl12 Co4 N8 O32 -","4","1","BS1025","Ware, David C.; Denny, William A.; Clark, George R.","[<i>N</i>,<i>N</i>-Bis(2-chloroethyl)-1,2-ethanediamine-<i>N</i>,<i>N</i>']bis(3-methyl-2,4-pentanedionato-<i>O</i>,<i>O</i>')cobalt(III) Perchlorate: a Potential Hypoxia Selective Anticancer Agent","Acta Crystallographica Section C","1997","53","8","1058","1059","10.1107/S0108270197004186","","","0.71069","MoKα","","0.0927","0.0504","","0.1597","0.1178","","","","1.142","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006369","7.227","0.001","34.729","0.002","9.221","0.002","90","","90","","90","","2314.3","0.6","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","5,8-dimethoxy-1-naphthoic acid","","","- C13 H12 O4 -","- C13 H12 O4 -","- C104 H96 O32 -","8","1","BS1029","Blackburn, Anthony C.; Gerkin, Roger E.","5,8-Dimethoxy-1-naphthoic Acid and Methyl 5,8-Dimethoxy-1-naphthoate","Acta Crystallographica Section C","1997","53","8","1077","1080","10.1107/S0108270197004940","","","0.71073","MoKα","","","0.049","","","0.036","","","","","2.06","2.06","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006370","7.707","0.002","8.72","0.001","18.619","0.002","90","","100.97","0.01","90","","1228.4","0.4","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","methyl 5,8-dimethoxy-1-naphthoate","","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","BS1029","Blackburn, Anthony C.; Gerkin, Roger E.","5,8-Dimethoxy-1-naphthoic Acid and Methyl 5,8-Dimethoxy-1-naphthoate","Acta Crystallographica Section C","1997","53","8","1077","1080","10.1107/S0108270197004940","","","0.71073","MoKα","","","0.052","","","0.034","","","","","1.66","1.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006371","18.781","0.005","5.292","0.001","24.948","0.007","90","","90.47","0.02","90","","2479.5","1.1","295","","295","","","","","","","","","5","I 1 2/a 1","","","","2,2'-diaminodiphenyl disulfide hemihydrate","","- C12 H13 N2 O0.5 S2 -","- C12 H13.5 N2 O S2 -","- C96 H108 N16 O8 S16 -","8","1","CF1091","Kaitner, Branko; Pavlović, Gordana","2,2'-Diaminodiphenyl Disulfide Hemihydrate","Acta Crystallographica Section C","1997","53","8","1103","1105","10.1107/S0108270197004435","","","0.71069","MoKα","","0.031","0.031","","0.051","0.051","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006372","13.339","0.003","10.605","0.003","13.052","0.005","90","","108.78","0.02","90","","1748","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2S,3R,4R) and (2R,3S,4S)-dimethyl-2-(3,4,5-trimethoxyphenyl) tetrahydrofuran-3,4-dicarboxylate ((Ia))","","- C17 H22 O8 -","- C17 H22 O8 -","- C68 H88 O32 -","4","1","CF1156","Yang, Qing-chuan; Song, Yi-qiu; Tang, You-qi; Pei, Wei-wei; Li, Shao-hu; Ye, Xiu-lin","Two Pairs of Stereoisomers of Dimethyl 2-(3,4,5-Trimethoxyphenyl)tetrahydrofuran-3,4-dicarboxylate","Acta Crystallographica Section C","1997","53","8","1133","1136","10.1107/S0108270197004447","","","0.71073","MoKα","","0.0977","0.0556","","0.1898","0.1402","","","","0.996","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006373","5.385","0.002","19.521","0.007","16.7","0.008","90","","96.57","0.04","90","","1744","1.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2S,3R,4S) and (2R,3S,4S) -dimethyl-2-(3,4,5-trimethoxyphenyl) tetrahydrofuran-3,4-dicarboxylate ((Ib))","","- C17 H22 O8 -","- C17 H22 O8 -","- C68 H88 O32 -","4","1","CF1156","Yang, Qing-chuan; Song, Yi-qiu; Tang, You-qi; Pei, Wei-wei; Li, Shao-hu; Ye, Xiu-lin","Two Pairs of Stereoisomers of Dimethyl 2-(3,4,5-Trimethoxyphenyl)tetrahydrofuran-3,4-dicarboxylate","Acta Crystallographica Section C","1997","53","8","1133","1136","10.1107/S0108270197004447","","","0.71073","MoKα","","0.1369","0.0488","","0.2023","0.1221","","","","0.96","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006374","9.582","0.001","10.495","0.002","13.498","0.003","90","0.2","90","0.3","90","0.3","1357.4","0.4","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 N4 -","- C14 H22 N4 -","- C56 H88 N16 -","4","1","CF1161","Lassaba, Essedyia; Benharref, Ahmed; Giorgi, Michel; Pierrot, Marcel","(1<i>S</i>,6<i>S</i>)-Tetrazolo[1,5-<i>g</i>]-7-aza-<i>trans</i>-himachal-2-ene","Acta Crystallographica Section C","1997","53","8","1139","1141","10.1107/S010827019700365X","","","0.71073","MoKα","","0.056","0.048","","","0.068","","","","","1.829","1.829","","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2006375","15.117","0.001","14.4592","0.0006","15.8539","0.0009","90","","90","","90","","3465.3","0.3","297","","","","","","","","","","","4","P b c a","","","","1,8-Diiodo-10-hydroxy-10-(3-methyl-but-3-en-1-ynyl)-10H-anthracen-9-one","","- C19 H12 I2 O2 -","- C19 H12 I2 O2 -","- C152 H96 I16 O16 -","8","1","CF1169","Thalji, Reema K.; Garcia, Gabriel; Asfaw, Bruktawit; Rodriguez, Augusto; Fronczek, Frank R.","A Diiodo-Substituted 9-Anthracenone","Acta Crystallographica Section C","1997","53","8","1138","1139","10.1107/S0108270197004460","","","0.71073","MoKα","","","0.045","","","0.054","","","","","1.88","1.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006376","9.606","0.002","6.378","0.002","30.077","0.005","90","","90","","90","","1842.7","0.8","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-Carboxy-dl-Phenylalanine Anhydride","","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C80 H72 N8 O24 -","8","2","DE1051","Hitoshi Kanazawa; Hidehiro Uekusa; Yuji Ohashi","<i>N</i>-Carboxy-<small>DL</small>-phenylalanine Anhydride","Acta Crystallographica Section C","1997","53","8","1154","1156","10.1107/S0108270197004010","","","1.54184","CuKα","","0.0453","0.0338","","0.0901","0.0838","","","","1.089","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006377","6.706","0.001","6.806","0.001","6.997","0.001","100.73","0.02","113.33","0.02","80.53","0.02","286.65","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","mercury(II)-pyrophosphate","di-mercury(II)-diphosphate","","- Hg2 O7 P2 -","- Hg2 O7 P2 -","- Hg4 O14 P4 -","2","1","DU1174","Weil, Matthias; Glaum, Robert","Mercury(II) Diphosphate, Hg~2~P~2~O~7~","Acta Crystallographica Section C","1997","53","8","1000","1003","10.1107/S0108270197003879","","","0.71073","MoKα","","0.0374","0.0266","","0.0662","0.0602","","","","1.091","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006378","7.122","0.002","18.113","0.004","10.389","0.004","90","","90","","90","","1340.2","0.7","293","","293","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","FG1253","Audette, Gerald F.; Zoghaib, Wajdi M.; Tourigny, Guy; Gupta, Sagar V.; Delbaere, Louis T. J.","3,4-Etheno-5-methoxymethyl-2'-deoxycytidine","Acta Crystallographica Section C","1997","53","8","1099","1101","10.1107/S0108270197003880","","","0.71069","MolybdenumKα","","0.095","0.094","","0.076","0.076","","","","","1.43","1.43","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006379","14.997","0.006","12.898","0.009","14.743","0.014","90","","90","","90","","2852","4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","3-(1,8-naphthalenedicarboximido)benzonitrile, or N-(3-benzonitrile)-1,8-naphthalimide or strict IUPAC name 3-(1,3-dioxo-2,3-dihydro-1H-naphtho-[1,8-cd]- azin-2yl)benzonitrile","","- C19 H10 N2 O2 -","- C19 H10 N2 O2 -","- C152 H80 N16 O16 -","8","1","FG1259","Batchelor, Rhys A.; Hunter, Christopher A.; Simpson, Jim","3-(1,8-Naphthalenedicarboximido)benzonitrile [or <i>N</i>-(3-Cyanophenyl)-1,8-naphthalimide], C~19~H~10~N~2~O~2~","Acta Crystallographica Section C","1997","53","8","1117","1119","10.1107/S0108270197003727","","","0.71073","MoKα","","0.1431","0.0682","","0.1626","0.1373","","","","0.926","1.208","1.208","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006380","12.023","0.002","9.446","0.002","15.205","0.002","90","","90.243","0.014","90","","1726.8","0.5","294","","294","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 O4 S -","- C20 H16 O4 S -","- C80 H64 O16 S4 -","4","1","FG1284","Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James","Dimethyl 9,10-Dihydro-9,10-ethenoanthracene-11-carboxylate-12-<i>S</i>-carbonothioate","Acta Crystallographica Section C","1997","53","8","1162","1164","10.1107/S0108270197003892","","","0.7107","MoKα","","0.092","0.0393","","0.0549","0.0496","","","","1.55","1.83","1.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006381","12.8075","0.0018","12.8075","0.0018","16.419","0.003","90","","90","","90","","2693.2","0.7","143","2","143","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","","1,8-Bis(dimethylphosphino)naphthalene","","- C14 H18 P2 -","- C14 H18 P2 -","- C112 H144 P16 -","8","1","FG1288","Jones, Peter G.; Thönnessen, Holger; Karac̨ar, Atilla; Schmutzler, Reinhard","1,8-Bis(dimethylphosphino)naphthalene: an Unusual Case of Pseudosymmetry","Acta Crystallographica Section C","1997","53","8","1119","1122","10.1107/S010827019700468X","","","0.71073","MoKα","","0.0524","0.041","","0.101","0.0913","","","","1.064","1.038","1.038","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006382","11.7734","0.0017","15.773","0.002","8.796","0.0016","90","","95.182","0.014","90","","1626.8","0.4","296","","296","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","sp-9-(o-isopropylphenyl)fluorene","","- C22 H20 -","- C22 H20 -","- C88 H80 -","4","1","FG1290","Meyers, Cal Y.; Hou, Yuqing; Scott, Delano; Robinson, Paul D.","Exclusive Formation of Crystalline <i>sp</i>-9-(<i>o</i>-Isopropylphenyl)fluorene from its <i>ap</i> Rotamer in Solution","Acta Crystallographica Section C","1997","53","8","1149","1151","10.1107/S0108270197003739","","","0.71069","MoKα","","0.183","0.0459","","0.1619","0.109","","","","1.016","1.173","1.173","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006383","10.307","0.005","16.161","0.01","22.496","0.01","91.57","0.04","89.81","0.04","101.1","0.04","3676","3","178","2","178","2","","","","","","","","6","P -1","-P 1","2","","Bis(triphenylphosphonine)iminium Trichloro(cyclopentadienyl)chromide(III)","","- C41 H35 Cl3 Cr N P2 -","- C41 H35 Cl3 Cr N P2 -","- C164 H140 Cl12 Cr4 N4 P8 -","4","2","FG1314","Scheer, Manfred; Jones, Peter G.","Bis(triphenylphosphine-<i>P</i>)iminium Trichloro(η^5^-cyclopentadienyl)chromide(III)","Acta Crystallographica Section C","1997","53","8","1038","1039","10.1107/S0108270197005234","","","0.71073","MoKα","","0.0918","0.0498","","0.1642","0.1304","","","","0.95","0.968","0.968","","","","","has coordinates","192288","2020-10-21","18:00:00",""
"2006384","8.362","0.002","16.727","0.002","11.554","0.002","90","","95.561","0.002","90","","1608.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C76 H64 N8 O4 S4 -","4","1","FR1015","Elerman, Yalc̨in; Elmali, Ayhan; Kendi̇, Engin; Özbey, Süheyla; Ertüzün, Vedia","4-Ethyl-2-(2-hydroxynaphthylmethylidene)amino-5-methyl-3-thiophenecarbonitrile","Acta Crystallographica Section C","1997","53","8","1158","1160","10.1107/S0108270196014515","","","0.71069","MoKα","","0.067","0.046","","0.118","0.111","","","","1.122","1.215","1.215","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006385","24.967","0.003","6.075","0.002","13.232","0.002","90","","113.134","0.011","90","","1845.6","0.7","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(-)-labda-8(17),13E-dien-15-oic","","- C20 H32 O2 -","- C20 H31.5 O2 -","- C80 H126 O8 -","4","1","FR1024","Reinaldo Atencio; Ricardo Gaitán; Sara Pekerar; José D. Medina","(13<i>E</i>)-({-})-Labda-8(17),13-dien-15-oic Acid","Acta Crystallographica Section C","1997","53","8","1068","1070","10.1107/S0108270197003016","","","0.71069","MoKα","","0.0742","0.044","","0.163","0.1194","","","","1.108","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006386","10.429","0.002","10.699","0.003","11.743","0.003","114.41","0.02","107.43","0.03","96.33","0.04","1096.3","0.6","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 N4 Ni3 O10 S2 -","- C42 H50 N4 Ni3 O10 S2 -","- C42 H50 N4 Ni3 O10 S2 -","1","0.5","FR1035","Ülkü, Dinçer; Ercan, Filiz; Atakol, Orhan; Dinçer, F. Nazlι","Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato](dimethyl sulfoxide)nickel(II)}nickel(II)","Acta Crystallographica Section C","1997","53","8","1056","1057","10.1107/S0108270197004733","","","0.71073","MoKα","","","0.048","","","0.049","","","","","0.96","0.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006387","16.54","0.001","15.605","0.002","10.445","0.001","90","","104.9","0.01","90","","2605.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrachlorotetrakis(tetrahydrofuran)di-μ-thioxodiniobium(IV)","","- C16 H32 Cl4 Nb2 O4 S2 -","- C16 H32 Cl4 Nb2 O4 S2 -","- C64 H128 Cl16 Nb8 O16 S8 -","4","1","FR1039","Myungok Yoon; Victor Young Jr; Gordon J. Miller; .","A Bioctahedral Nb^IV^ Cluster with Bridging Sulfides: [Nb~2~(μ-S)~2~Cl~4~(thf)~4~]","Acta Crystallographica Section C","1997","53","8","1041","1043","10.1107/S0108270197004277","","","0.71073","MoKα","","0.0779","0.0416","","0.1112","0.0972","","","","1.034","1.089","1.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006388","7.567","0.0014","8.7781","0.0007","10.2806","0.0016","108.941","0.01","94.805","0.014","98.788","0.011","631.79","0.17","293","","293","","","","","","","","","7","P -1","-P 1","2","trans-diaquabis(2,2'-bipyridine)ruthenium(II) hexafluorophosphate","trans-diaquabis(2,2'-bipyridine)ruthenium(II) hexafluorophosphate","","- C20 H20 F12 N4 O2 P2 Ru -","- C20 H20 F12 N4 O2 P2 Ru -","- C20 H20 F12 N4 O2 P2 Ru -","1","0.5","FR1040","Weathers, Norman R.; Sadoski, Robert C.; Durham, Bill; Cordes, A. Wallace","<i>trans</i>-Diaquabis(2,2'-bipyridine-<i>N</i>,<i>N</i>')ruthenium(II) Bis(hexafluorophosphate)","Acta Crystallographica Section C","1997","53","8","1047","1049","10.1107/S0108270197004381","","","0.7107","MolybdenumKα","","0.04","0.04","","0.051","0.051","","","","","0.9","0.9","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006389","8.468","0.0014","11.1997","0.0007","6.822","0.0009","90","","90","","90","","646.99","0.14","296","","296","","","","","","","","","4","C m c m","-C 2c 2","63","1,3-dimethylimidazole-2-thione","1,3-dimethyl-2(3H)-imidazolethione","","- C5 H8 N2 S -","- C5 H8 N2 S -","- C20 H32 N8 S4 -","4","0.25","HA1189","Tomlin, David W.; Campbell, Daniel P.; Fleitz, Paul A.; Adams, W. Wade","Redetermination of 1,3-Dimethylimidazole-2-thione","Acta Crystallographica Section C","1997","53","8","1153","1154","10.1107/S0108270197004198","","","0.71073","MoKα","","","0.049","","","0.04","","","","","1.169","1.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006390","4.832","0.002","10.222","0.006","13.426","0.006","73.3","0.04","81.43","0.03","88.83","0.04","627.9","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C30 H28 O8 -","2","1","HA1191","Damas, Ana M.; Roleira, Fernanda F.; Pinto, Madalena M. M.","2-[2-(Hydroxyethyl)phenoxy]benzoic Acid","Acta Crystallographica Section C","1997","53","8","1143","1145","10.1107/S0108270197004344","","","0.71069","MoKα","","0.0632","0.0389","","0.1235","0.0932","","","","1.031","1.033","1.033","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006391","7.498","0.003","12.564","0.004","16.296","0.013","90","","93.36","0.04","90","","1532.5","1.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","methyl (E)-3-(imidazol-4-yl)propenoate hemihydrate","","- C7 H9 N2 O2.5 -","- C7 H9 N2 O2.5 -","- C56 H72 N16 O20 -","8","1","HA1192","Blake, Alexander J.; McNab, Hamish; Thornley, Craig","Four Methyl Azolyl-3-propenoates","Acta Crystallographica Section C","1997","53","8","1093","1097","10.1107/S0108270197004952","","","0.71073","MoKα","","0.0365","0.0333","","0.0955","0.0926","","","","1.057","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006392","10.795","0.003","8.271","0.001","17.803","0.003","90","","92.957","0.015","90","","1587.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl (E)-3-(pyrrol-2-yl)propenoate","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","HA1192","Blake, Alexander J.; McNab, Hamish; Thornley, Craig","Four Methyl Azolyl-3-propenoates","Acta Crystallographica Section C","1997","53","8","1093","1097","10.1107/S0108270197004952","","","0.71073","MoKα","","0.2221","0.058","","0.2147","0.1413","","","","1.014","1.205","1.205","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006393","9.706","0.002","8.9898","0.0009","17.714","0.003","90","","90","","90","","1545.6","0.4","277","2","277","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl (E)-3-(imidazol-2-yl)propenoate","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","1","HA1192","Blake, Alexander J.; McNab, Hamish; Thornley, Craig","Four Methyl Azolyl-3-propenoates","Acta Crystallographica Section C","1997","53","8","1093","1097","10.1107/S0108270197004952","","","0.71073","MoKα","","0.1105","0.0438","","0.1366","0.0969","","","","1.108","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006394","15.7","0.013","18.927","0.016","7.311","0.005","90","","100.13","0.06","90","","2139","3","277","2","277","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl (Z)-3-(imidazol-2-yl)propenoate","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C84 H96 N24 O24 -","12","3","HA1192","Blake, Alexander J.; McNab, Hamish; Thornley, Craig","Four Methyl Azolyl-3-propenoates","Acta Crystallographica Section C","1997","53","8","1093","1097","10.1107/S0108270197004952","","","0.71073","MoKα","","0.0712","0.0387","","0.1177","0.1027","","","","1.036","1.106","1.106","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006395","12.3962","0.0008","7.8062","0.0005","30.305","0.0002","90","","106.319","0.005","90","","2814.4","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O -","- C17 H21 N O -","- C136 H168 N8 O8 -","8","2","JZ1173","Kooijman, Huub; Spek, Anthony L.; Hoogesteger, Frans J.; Jenneskens, Leonardus W.","4-(1-Phenylpiperidin-4-ylidene)cyclohexanone","Acta Crystallographica Section C","1997","53","8","1156","1158","10.1107/S0108270197003958","","","0.71073","MoKα","","0.063","0.063","","0.148","0.148","","","","0.96","0.96","0.96","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006396","9.838","0.005","12.524","0.005","12.842","0.006","69.12","0.03","68","0.04","82.42","0.04","1370.7","1.2","126","2","126","2","","","","","","","","5","P -1","-P 1","2","Bis[anhydromesorhodochlorinato-XV methyl ester)zinc(II)]","Bis{(8,13-diethyl-2,21,22,23-tetrahydro-18-methoxycarbonyl-3,7,12,17- tetramethyl-23-oxo-3H-benzo[at]porphyrinato)zinc(II)}","","- C66 H68 N8 O6 Zn2 -","- C66 H68 N8 O6 Zn2 -","- C66 H68 N8 O6 Zn2 -","1","0.5","JZ1192","Senge, Mathias O.; Smith, Kevin M.","Bis[(anhydro-<i>meso</i>-rhodochlorinato-XV methyl ester)zinc(II)]","Acta Crystallographica Section C","1997","53","8","1022","1024","10.1107/S0108270197002977","","","0.71073","MoKα","","0.0987","0.0681","","0.1633","0.1463","","","","1.029","1.079","1.079","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006397","8.646","0.0011","10.849","0.0013","15.96","0.0002","90","","95.48","0.02","90","","1490.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dicarbonylbis(η^5^-cyclopentadienyl)-(μ-1,4-η:4,5-η-1,4-pentadien- 1,4-diyl)oxoditungsten(W-W)","","- C17 H16 O3 W2 -","- C17 H16 O3 W2 -","- C68 H64 O12 W8 -","4","1","JZ1195","Kreiter, Cornelius G.; Schwarz, C. Bettina; Frank, Walter; Reiß, Guido J.","Photochemical Reactions of Transition Metal Organyl Complexes with Olefins. 18. Dicarbonylbis(η^5^-cyclopentadienyl)(μ-1,4-η:4,5-η-1,4-pentadien-1,4-diyl)oxoditungsten(<i>W</i>—<i>W</i>)","Acta Crystallographica Section C","1997","53","8","1018","1020","10.1107/S0108270197004393","","","0.71069","MoKα","","0.0314","0.0284","","0.0747","0.0733","","","","1.136","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006398","14.1995","0.0007","11.3316","0.0005","9.7483","0.0005","90","","106.453","0.004","90","","1504.3","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3,5-Dimethylpyridine) (N-salicylideneglycinato)-Copper(II) Polymer","","- C16 H16 Cu N2 O3 -","- C16 H16 Cu N2 O3 -","- C64 H64 Cu4 N8 O12 -","4","1","JZ1196","Warda, Salam A.","A (3,5-Dimethylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'')copper(II) Polymer","Acta Crystallographica Section C","1997","53","8","1010","1011","10.1107/S0108270197004241","","","1.54178","CuKα","","0.0558","0.0553","","0.1467","0.1462","","","","1.143","1.153","1.153","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006399","16.8637","0.0014","9.3561","0.0006","7.4402","0.0013","90","","111.934","0.011","90","","1088.9","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Bipyridyl-N,N')dibromopalladium(II)","","- C10 H8 Br2 N2 Pd -","- C10 H8 Br2 N2 Pd -","- C40 H32 Br8 N8 Pd4 -","4","0.5","JZ1200","Smeets, Wilberth J.J.; Spek, Anthony L.; Hoare, Jason L.; Canty, Allan J.; Hovestad, Neldes; van Koten, Gerard","(2,2'-Bipyridyl-<i>N</i>,<i>N</i>')dibromopalladium(II)","Acta Crystallographica Section C","1997","53","8","1045","1047","10.1107/S0108270197004149","","","0.71073","MoKα","","","0.051","","","","0.135","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006400","16.746","0.002","12.974","0.002","11.582","0.002","90","","90","","90","","2516.3","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Potassium strontium tetraborate decahydrate","","- B8 H28 K2 O28 Sr -","- B8 H28 K2 O28 Sr -","- B32 H112 K8 O112 Sr4 -","4","1","KA1150","Xavier Solans; Joaquim Solans; M. Victoria Domènech","Potassium Strontium Tetraborate Decahydrate and Ammonium Calcium Tetraborate Octahydrate","Acta Crystallographica Section C","1997","53","8","994","997","10.1107/S0108270196007032","","","0.71069","MoKα","","0.033","0.033","","0.076","0.076","","","","0.994","0.993","0.993","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"2006401","16.659","0.002","12.571","0.002","11.588","0.002","90","","90","","90","","2426.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ammonium Calcium Tetraborate Octohydrate","","- B8 Ca H32 N2 O26 -","- B8 Ca H32 N2 O26 -","- B32 Ca4 H128 N8 O104 -","4","1","KA1150","Xavier Solans; Joaquim Solans; M. Victoria Domènech","Potassium Strontium Tetraborate Decahydrate and Ammonium Calcium Tetraborate Octahydrate","Acta Crystallographica Section C","1997","53","8","994","997","10.1107/S0108270196007032","","","0.71069","MoKα","","0.026","0.026","","0.067","0.067","","","","1.02","1.02","1.02","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"2006402","8.676","0.001","44.948","0.002","22.143","0.002","90","","99.369","0.005","90","","8519.9","1.3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(1RS,3SR,4RS,5RS,7SR,9SR)-4,7-diacetyl-9-hydroxy-1,3,5,9-tetramethyl -2,6,8-trioxatricyclo[3.2.1.1^3,7^]nonane","","- C14 H20 O6 -","- C14 H20 O6 -","- C336 H480 O144 -","24","6","KA1225","Raabe, Gerhard; Hall, Sydney R.; .; Thomas, Hans Günter; .; Wellen, Ulrich; .; Simons, Josef; .","(1<i>RS</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>,7<i>SR</i>,9<i>SR</i>)-4,7-Diacetyl-9-hydroxy-1,3,5,9-tetramethyl-2,6,8-trioxatricyclo[3.2.1.1^3,7^]nonane: a Tricyclic System Formed Under Cathodic Conditions","Acta Crystallographica Section C","1997","53","8","1107","1111","10.1107/S0108270197005477","","","1.54179","CuKα","","0.105","0.059","","0.074","0.067","","","","1.986","2.529","2.529","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006403","11.786","0.002","5.543","0.001","17.799","0.004","90","","106.16","0.03","90","","1116.9","0.4","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9-Methylthiophenanthrene","","- C15 H12 S -","- C15 H12 S -","- C60 H48 S4 -","4","2","KA1230","Jarno Kansikas; Kaija Sipilä","Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)","Acta Crystallographica Section C","1997","53","8","1127","1131","10.1107/S0108270197004575","","","0.71069","MoKα","","0.0948","0.073","","0.2093","0.1811","","","","1.04","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006404","9.054","0.004","20.644","0.009","6.659","0.003","90","","98.1","0.03","90","","1232.2","0.9","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Ethylthiophenanthrene","","- C16 H14 S -","- C16 H14 S -","- C64 H56 S4 -","4","1","KA1230","Jarno Kansikas; Kaija Sipilä","Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)","Acta Crystallographica Section C","1997","53","8","1127","1131","10.1107/S0108270197004575","","","0.71069","MoKα","","0.0996","0.0679","","0.1553","0.1378","","","","1.03","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006405","9.067","0.003","21.123","0.007","7.007","0.003","90","","99.12","0.03","90","","1325","0.8","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Propylthiophenanthrene","","- C17 H16 S -","- C17 H16 S -","- C68 H64 S4 -","4","1","KA1230","Jarno Kansikas; Kaija Sipilä","Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)","Acta Crystallographica Section C","1997","53","8","1127","1131","10.1107/S0108270197004575","","","0.71069","MoKα","","0.0863","0.0504","","0.1856","0.1419","","","","1.04","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006406","9.01","0.004","23.124","0.008","6.888","0.003","90","","97.81","0.03","90","","1421.8","1","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Butylthiophenantrene","","- C18 H18 S -","- C18 H18 S -","- C72 H72 S4 -","4","1","KA1230","Jarno Kansikas; Kaija Sipilä","Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)","Acta Crystallographica Section C","1997","53","8","1127","1131","10.1107/S0108270197004575","","","0.71069","MoKα","","0.0779","0.0596","","0.1664","0.1303","","","","1.964","2.169","2.169","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006407","29.268","0.003","8.9925","0.0006","13.569","0.002","90","","115.063","0.006","90","","3235","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetramethylammonium hydrogen bis[bis(N,N-dimethylthiocarbamoylthio)acetate]","","- C20 H39 N5 O4 S8 -","- C20 H39 N5 O4 S8 -","- C80 H156 N20 O16 S32 -","4","0.5","KH1134","Ng, Seik Weng","Tetramethylammonium Hydrogen Bis[bis(dimethyldithiocarbamyl)acetate]","Acta Crystallographica Section C","1997","53","8","1111","1113","10.1107/S0108270197004204","","","0.71073","MoKα","","0.0499","0.0391","","0.1043","0.0985","","","","1.037","1.095","1.095","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006408","9.515","0.001","12.234","0.001","12.787","0.001","89.888","0.008","97.377","0.009","90.29","0.009","1476.1","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Bis[aqua(chlorodifluoroacetato)triphenyltin-1,10-phenanthroline]","","- C32 H25 Cl F2 N2 O3 Sn -","- C32 H25 Cl F2 N2 O3 Sn -","- C64 H50 Cl2 F4 N4 O6 Sn2 -","2","1","KH1135","Ng, Seik Weng","Bis[aqua(chlorodifluoroacetato-<i>O</i>)triphenyltin‒1,10-phenanthroline]","Acta Crystallographica Section C","1997","53","8","1059","1061","10.1107/S0108270197003867","","","0.71073","MoKα","","0.063","0.0557","","0.1447","0.1397","","","","1.087","1.14","1.14","","","","","has coordinates","198932","2020-10-21","18:00:00",""
"2006409","10.3733","0.001","14.724","0.003","20.471","0.001","90","","90","","90","","3126.7","0.7","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cu N2 O2 -","- C18 H18 Cu N2 O2 -","- C144 H144 Cu8 N16 O16 -","8","1","KH1140","Yao, Hsueh-Hua; Lo, Jem-Mau; Chen, Bor-Hann; Lu, Tian-Huey","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,4-diiminobutane]copper(II)","Acta Crystallographica Section C","1997","53","8","1012","1013","10.1107/S0108270197003636","","","0.7093","MolybdenumKα","","0.04","0.04","","0.032","0.032","","","","","2.19","2.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006410","15.2699","0.0009","6.833","0.002","19.9199","0.0013","90","","90","","90","","2078.4","0.6","293","1","293","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C96 H112 O24 -","8","1","KH1143","Gable, Robert W.; Gan, Chee Yong; Lambert, John N.","Methyl 8-Hydroxy-1,2,3,4-tetrahydronaphthalene-5-carboxylate","Acta Crystallographica Section C","1997","53","8","1122","1124","10.1107/S0108270197002898","","","1.5418","CuKα(nickelfiltered)","","0.095","0.05","","0.151","0.121","","","","1.027","1.151","1.151","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2006411","14.4679","0.001","11.5916","0.001","11.456","0.003","90","0.01","107.05","0.01","90","0.009","1836.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O4 S Si -","- C16 H23 N O4 S Si -","- C64 H92 N4 O16 S4 Si4 -","4","1","KH1145","White, Jonathan M.; Green, Alison J.","<i>endo</i>-3-Trimethylsilyl-2-norbornyl 2-Nitrobenzenesulfinate","Acta Crystallographica Section C","1997","53","8","1084","1086","10.1107/S0108270197003521","","","1.5418","CuKα","","0.0688","0.0504","","0.1463","0.1307","","","","1.049","1.087","1.087","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006412","9.079","0.001","10.188","0.002","14.92","0.002","74.49","0.01","80","0.01","83.13","0.01","1305.7","0.3","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","5,8-di(4-methoxy-2,3,6-trimethylbenzenesulphonyl)-1,4-dioxa-5,8-diazaocane","","- C24 H34 N2 O8 S2 -","- C24 H34 N2 O8 S2 -","- C48 H68 N4 O16 S4 -","2","1","MU1298","Van Meervelt, Luc; Kong Thoo Lin, Paul","5,8-Bis(4-methoxy-2,3,6-trimethylbenzenesulfonyl)-1,4-dioxa-5,8-diazocane","Acta Crystallographica Section C","1997","53","8","1131","1133","10.1107/S0108270197003806","","","1.54178","CuKα","","0.0604","0.058","","0.1652","0.1628","","","","1.061","1.094","1.094","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006413","14.251","0.005","11.548","0.005","14.28","0.007","90","","99.89","0.03","90","","2315.1","1.7","193","1","193","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Tetrachloro-[4-(2-(phenylamino)pyridinium)butoxo-O] (tetrahydrofuran-O)zirconium(IV)","","- C19 H26 Cl4 N2 O2 Zr -","- C19 H26 Cl4 N2 O2 Zr -","- C76 H104 Cl16 N8 O8 Zr4 -","4","1","MU1299","Polamo, Mika; Mutikainen, Ilpo; Leskelä, Markku","A Tetrahydrofuran Ring-Opening Product: <i>trans</i>-Tetrachloro{4-[2-(phenylamino)pyridinio]butoxido-<i>O</i>}(tetrahydrofuran-<i>O</i>)zirconium(IV)","Acta Crystallographica Section C","1997","53","8","1036","1037","10.1107/S0108270197003818","","","0.71073","MoKα","","0.0609","0.0435","","0.1057","0.0994","","","","1.079","1.162","1.162","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006414","11.189","0.002","13.416","0.003","19.409","0.004","90","0.02","120.73","0.02","90","0.02","2504.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(8-hydroxyquinolinate)iron(III) ethanol solvate","","- C29 H24 Fe N3 O4 -","- C29 H24 Fe N3 O4 -","- C116 H96 Fe4 N12 O16 -","4","1","MU1310","Pech, Lucija; Bankovsky, Yurii A.; Kemme, Andrejs; Lejejs, Janis","Tris(8-hydroxyquinolinato)iron(III) Ethanol Solvate","Acta Crystallographica Section C","1997","53","8","1043","1045","10.1107/S0108270197003831","","","0.71069","MoKα","","0.081","0.062","","0.156","0.141","","","","0.944","0.972","0.972","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006415","7.522","0.002","8.663","0.002","11.349","0.002","72.61","0.03","78.96","0.03","87.31","0.03","692.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 Ge I2 N8 -","- C32 H16 Ge I2 N8 -","- C32 H16 Ge I2 N8 -","1","0.5","MU1316","Ejsmont, Krzysztof; Kubiak, Ryszard","Isostructural Complexes of Diiodo(phthalocyaninato)germanium(IV) and Diiodo(phthalocyaninato)tin(IV)","Acta Crystallographica Section C","1997","53","8","1051","1054","10.1107/S0108270197004836","","","0.71073","MoKα","","0.0761","0.0376","","0.0916","0.0827","","","","1.055","1.165","1.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006416","7.618","0.002","8.551","0.002","11.602","0.002","73.34","0.03","77.2","0.03","87.05","0.03","706","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 I2 N8 Sn -","- C32 H16 I2 N8 Sn -","- C32 H16 I2 N8 Sn -","1","0.5","MU1316","Ejsmont, Krzysztof; Kubiak, Ryszard","Isostructural Complexes of Diiodo(phthalocyaninato)germanium(IV) and Diiodo(phthalocyaninato)tin(IV)","Acta Crystallographica Section C","1997","53","8","1051","1054","10.1107/S0108270197004836","","","0.71073","MoKα","","0.0436","0.03","","0.0789","0.074","","","","1.039","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006417","16.382","0.0008","6.1648","0.0006","21.6676","0.0012","90","","104.835","0.003","90","","2115.3","0.3","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,3-Dihydro-3-phenyl-1H-isoindol-1-one","","- C14 H11 N O -","- C14 H11 N O -","- C112 H88 N8 O8 -","8","1","MU1321","McNab, Hamish; Parsons, Simon; Shannon, David A.","2,3-Dihydro-3-phenyl-1<i>H</i>-isoindol-1-one at 220K","Acta Crystallographica Section C","1997","53","8","1098","1099","10.1107/S0108270197004848","","","1.54184","CuKα","","0.0454","0.0348","","0.0944","0.0893","","","","1.048","1.129","1.129","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006418","6.36","0.001","19.272","0.002","12.604","0.002","90","","93.75","0.01","90","","1541.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Diphenylguanidinium hydrogenselenite monohydrate","","- C13 H17 N3 O4 Se -","- C13 H17 N3 O4 Se -","- C52 H68 N12 O16 Se4 -","4","1","NA1285","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; de Matos Gomes, E.; Martín-Gil, J.; Martín-Gil, F.J.","<i>N</i>,<i>N</i>'-Diphenylguanidinium Hydrogenselenite Monohydrate","Acta Crystallographica Section C","1997","53","8","1113","1115","10.1107/S0108270197004472","","","0.71073","MoKα","","0.1156","0.0305","","0.0813","0.062","","","","1.06","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006419","11.12","0.002","18.28","0.002","7.917","0.002","90","","98.23","0.02","90","","1592.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","11-(2-chloro-2-propenyl)-5,11-dihydroxy-2-methylanthra[1,2-b]furan-6(11H)-one","","- C20 H15 Cl O4 -","- C20 H15 Cl O4 -","- C80 H60 Cl4 O16 -","4","1","NA1287","Cambie, Richard C.; Milbank, Jared B. J.; Rickard, Clifton E. F.; Rutledge, P. Stewart","11-(2-Chloro-2-propenyl)-5,11-dihydroxy-2-methylanthra[1,2-<i>b</i>]furan-6(11<i>H</i>)-one","Acta Crystallographica Section C","1997","53","8","1102","1103","10.1107/S0108270197004289","","","0.71069","MoKα","","0.1177","0.0678","","0.237","0.182","","","","1.017","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006420","14.394","0.003","5.33","0.002","10.962","0.003","90","","99.88","0.02","90","","828.5","0.4","292","1","19","","","","","","","","","4","C 1 2/c 1","-C 2yc","","","","","- C4 H10 O6 Zn -","- C4 H10 O6 Zn -","- C16 H40 O24 Zn4 -","4","0.5","OA1020","Ishioka, Tsutomu; Murata, Asami; Kitagawa, Yasuyuki; Nakamura, Kazuo T.","Zinc(II) Acetate Dihydrate","Acta Crystallographica Section C","1997","53","8","1029","1031","10.1107/S0108270197004484","","","1.5418","CuKα","","","0.06","","","0.118","","","","","2.28","2.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006421","6.454","0.002","12.752","0.004","15.387","0.005","90","","90","","90","","1266.4","0.7","108","2","","","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Cs2 Mn3 Te4 -","- Cs2 Mn3 Te4 -","- Cs8 Mn12 Te16 -","4","0.25","OH1099","Wu, Eric J.; Ibers, James A.","Cs~2~Mn~3~Te~4~","Acta Crystallographica Section C","1997","53","8","993","994","10.1107/S010827019700098X","","","0.71073","MoKα","","","0.0339","","","0.0815","","","","","1.266","1.266","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006422","34.25","0.003","9.134","0.001","13.819","0.001","90","","112.7","0.1","90","","3988","3","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H31 N5 O2 -","- C19 H30 N5 O1.5 -","- C152 H240 N40 O12 -","8","1","PT1043","Gunasekaran, K.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Rajendran, T. M.; Kandaswamy, M.","4-Hydroxy-2,6-bis[(4-methylpiperazinyl)methyl]benzonitrile Monohydrate","Acta Crystallographica Section C","1997","53","8","1116","1117","10.1107/S010827019700214X","","","1.5418","CuKα","","","0.06","","","0.082","","","","","0.878","0.878","","","","","has coordinates","194474","2020-10-21","18:00:00",""
"2006423","4.093","0.001","11.438","0.002","12.365","0.002","90","","90.73","0.03","90","","578.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 N8 O4 -","- C6 H14 N8 O4 -","- C12 H28 N16 O8 -","2","0.5","QA0006","Kolev, Tsonko; .; Glavcheva, Zornitza; .; Stahl, Rainer; .; Preut, Hans; .; Bleckmann, Paul; .; Radomirska, Valentina; .","Aminoguanidinium Squarate","Acta Crystallographica Section C","1997","53","8","IUC9700010","","10.1107/S0108270197099460","","","0.56086","AgKα","","0.0559","0.034","","0.0924","0.0819","","","","1.033","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006424","12.015","0.003","9.8464","0.0015","14.912","0.002","90","","90","","90","","1764.2","0.6","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Thia-5,11-dioxatricyclo[6.2.1.0^3.8^]undec-9-en-4,4-dione","","- C8 H10 O4 S -","- C8 H10 O4 S -","- C64 H80 O32 S8 -","8","1","QA0008","Ferguson, George; Schwan, Adrian L.; Kalin, Mark L.; Snelgrove, Jennifer L.","5,11-Dioxa-4-thiatricyclo[6.2.1.0^3,8^]undec-9-ene 4,4-Dioxide","Acta Crystallographica Section C","1997","53","8","IUC9700009","","10.1107/S0108270197099472","","","0.7107","MolybdenumKα","","0.1175","0.052","","","0.1128","0.129","","","","","","0.958","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006425","8.533","0.001","12.044","0.001","13.67","0.003","91.85","0.01","92.11","0.01","100.93","0.01","1377.4","0.4","218","","218","","","","","","","","","2","P -1","-P 1","2","","","","- C16 H24 -","- C16 H24 -","- C64 H96 -","4","2","SK1013","Irngartinger, Hermann; Strack, Stefan; Gleiter, Rolf; Brand, Stefan","Octamethylcuneane and Octamethylcubane: the First X-ray Crystal Structure of a Cuneane","Acta Crystallographica Section C","1997","53","8","1145","1148","10.1107/S0108270197003740","","","0.71073","MoKα","","0.128","0.048","","","0.117","","","","","2.446","2.446","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006426","8.562","0.001","8.562","","16.833","0.001","90","","90","","120","","1068.67","0.14","238","","238","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- C16 H24 -","- C16 H24 -","- C48 H72 -","3","0.0833333","SK1013","Irngartinger, Hermann; Strack, Stefan; Gleiter, Rolf; Brand, Stefan","Octamethylcuneane and Octamethylcubane: the First X-ray Crystal Structure of a Cuneane","Acta Crystallographica Section C","1997","53","8","1145","1148","10.1107/S0108270197003740","","","0.71073","MoKα","","0.0512","0.037","","0.093","0.088","","","","1.011","1.12","1.12","","","","","has coordinates","198519","2020-10-21","18:00:00",""
"2006427","9.3767","0.0014","10.6508","0.0008","15.825","0.002","90","","90","","90","","1580.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","methyl 2-O-α-D-mannopyranosyl-β-D-glucopyranoside.","","- C13 H24 O11 -","- C13 H24 O11 -","- C52 H96 O44 -","4","1","SK1034","Eriksson, Lars; Stenutz, Roland; Widmalm, Gőran","Methyl 2-<i>O</i>-α-<small>D</small>-Mannopyranosyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1997","53","8","1105","1107","10.1107/S0108270197004769","","","1.54184","CuKα","","0.036","0.0329","","0.0801","","","","","1.05","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006428","29.608","0.002","23.6935","0.0009","11.8195","0.0005","90","","90","","90","","8291.6","0.7","298","2","298","2","","","","","","","","5","C m c a","-C 2ac 2","64","","Tetramethylammonium Bis(coumarin-3-carboxylato)triphenylstannate Ethanol Solvate","","- C44 H43 N O9 Sn -","- C44 H44 N O9 Sn -","- C352 H352 N8 O72 Sn8 -","8","","SK1052","Ng, Seik Weng; Kumar Das, V.G.","Tetramethylammonium Bis(coumarin-3-carboxylato)triphenylstannate Ethanol Solvate","Acta Crystallographica Section C","1997","53","8","1034","1036","10.1107/S0108270197004307","","","0.71073","MoKα","","0.0625","0.0355","","0.0991","0.089","","","","0.997","1.125","1.125","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2006429","9.349","0.002","11.853","0.003","13.548","0.004","77.92","0.02","69.7","0.02","68.38","0.02","1303.3","0.6","294","","294","","","","","","","","","5","P -1","-P 1","2","","[7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato]-bis(pyridine) nickel(II)","","- C60 H42 N10 Ni O2 -","- C60 H42 N10 Ni O2 -","- C60 H42 N10 Ni O2 -","1","0.5","SK1059","Duval, Hugues; Bulach, Véronique; Fischer, Jean; Weiss, Raymond","Bis(pyridine-<i>N</i>)(7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato)nickel(II) Dimethanol Solvate","Acta Crystallographica Section C","1997","53","8","1027","1029","10.1107/S0108270197003995","","","0.71073","MoKα","","0.059","0.049","","","0.074","","","","","1.651","1.651","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2006430","15.7566","0.0009","15.9146","0.0009","9.5363","0.0007","90","","106.854","0.005","90","","2288.6","0.3","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","Carbazole-barium-pentakis(THF)-THF","","","- C48 H64 Ba N2 O6 -","- C48 H64 Ba N2 O6 -","- C96 H128 Ba2 N4 O12 -","2","0.5","SK1064","Näther, Christian; Hauck, Tim; Bock, Hans","Pentakis(tetrahydrofuran)barium Bis(carbazolate) Tetrahydrofuran Solvate","Acta Crystallographica Section C","1997","53","8","1061","1063","10.1107/S0108270197003363","","","0.71073","MoKα","","0.0233","0.0233","","0.0564","0.0564","","","","1.148","1.147","1.147","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006431","4.934","0.002","7.422","0.001","48.561","0.001","90","0.01","90","0.02","90","0.02","1778.3","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Dodecanoyl-L-Serine","","- C15 H31 N O5 -","- C15 H31 N O5 -","- C60 H124 N4 O20 -","4","1","SK1078","Schade, Boris; Fuhrhop, Jürgen-Hinrich; Hubert, Vera; Weber, Manuela; Luger, Peter","Hydrogen-Bonding Networks Involving Water in Amphiphilic <i>N</i>-Dodecanoyl-<small>L</small>-serine Monohydrate","Acta Crystallographica Section C","1997","53","8","1070","1073","10.1107/S0108270197004903","","","1.5418","Ni-filteredCuKα","","0.0558","0.0336","","0.0883","0.0787","","","","1.091","1.097","1.097","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006432","10.3727","0.0008","16.812","0.002","9.496","0.005","90","","92.585","0.014","90","","1654.3","0.9","293","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Authors naming system: catena-poly[{diaqua(furancarboxylato-O,O')lanthanum-bis-μ-furancarboxylato- O, O':O;O:O,O'-diaqua(furancarboxylato-O,O')lanthanum}-μ-furancarboxylato- O:O';O:O']","","- C15 H13 La O11 -","- C15 H9 La O11 -","- C60 H36 La4 O44 -","4","1","SK1088","Li, Xia; Chen, Xue-An; Zhao, Ling; Chen, Ben-Ming","<i>catena</i>-Diaquatris(α-furancarboxylato)lanthanum(III)","Acta Crystallographica Section C","1997","53","8","1015","1017","10.1107/S0108270197004022","","","0.71073","MoKα","","","0.0373","","","0.0997","","","","","1.149","1.149","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006433","10.0301","0.0006","11.7403","0.0007","11.766","0.0007","95.559","0.005","90.617","0.005","97.323","0.005","1367.38","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","2","SK1102","Frydenvang, Karla; Larsen, Ingrid Kjøller","1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea","Acta Crystallographica Section C","1997","53","8","1091","1093","10.1107/S0108270197004617","","","1.54184","CuKα","","0.0703","0.04","","0.1171","","0.1048","","","0.973","","","1.075","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006434","7.393","0.001","8.827","0.002","19.907","0.003","90","","90","","90","","1299.1","0.4","122","2","122","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)(R)-5,5-Dimethylmorpholinyl-2-Acetic Acid Ethyl Ester Hydrochloride","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","SK1104","Frydenvang, Karla; Enna, Sam J.; Krogsgaard-Larsen, Povl","({-})-(<i>R</i>)-5,5-Dimethylmorpholinyl-2-acetic Acid Ethyl Ester Hydrochloride, C~10~H~20~NO~3~^+^.Cl^{-^}","Acta Crystallographica Section C","1997","53","8","1088","1091","10.1107/S0108270197004290","","","1.5418","CuKα","","0.0276","0.027","","0.0758","","0.0752","","","1.082","","","1.087","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006435","7.529","0.002","13.278","0.002","20.457","0.003","90","","92.14","0.02","90","","2043.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cl4 Cu2 N4 O4 -","- C40 H52 Cl4 Cu2 N4 O4 -","- C80 H104 Cl8 Cu4 N8 O8 -","2","0.5","TA1126","Ahn, Tae-Ho; Lee, Sueg-Geun; Kim, Jeong; Kim, Si-Joong; Suh, Il-Hwan","Di-μ-chloro-bis[chloro(6,7,8,9,10,11,18,19-octahydro-5<i>H</i>,17<i>H</i>-dibenzo[<i>f</i>,<i>o</i>][1,5,9,13]dioxadiazacyclohexadecane)copper(II)]","Acta Crystallographica Section C","1997","53","8","1020","1022","10.1107/S0108270197004496","","","0.71069","MoKα","","0.0724","0.0495","","0.0996","0.0893","","","","1.062","1.103","1.103","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006436","7.0337","0.0002","8.3981","0.0002","37.9873","0.0011","90","","90","","90","","2243.9","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","estrone-3-glucuronide","17-oxoestra-1,3,5(10)-triene-3-yl-b-D-glucopyranosiduronic acid hydrate","","- C24 H32 O9 -","- C24 H29 O9 -","- C96 H116 O36 -","4","1","TA1138","C. Mark Smales; Leonard F. Blackwell; Joyce M. Waters; Anthony K. Burrell","An Estrone‒Glucuronide Conjugate","Acta Crystallographica Section C","1997","53","8","1082","1084","10.1107/S0108270197004629","","","0.71073","MoKα","","0.0636","0.0513","","0.133","0.1135","","","","1.132","1.156","1.156","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006437","8.364","0.002","12.684","0.003","12.224","0.002","90","","92.36","0.03","90","","1295.7","0.5","294","","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","S-methyl-(-N-(dimethylaminophenyl)-methylenedithiocarbazate","","","- C11 H15 N3 S2 -","- C11 H15 N3 S2 -","- C44 H60 N12 S8 -","4","1","TA1150","Cun-Yuan Zhao; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Thomas C. W. Mak","<i>S</i>-Methyl β-<i>N</i>-[4-(Dimethylamino)benzylidene]dithiocarbazate","Acta Crystallographica Section C","1997","53","8","1151","1153","10.1107/S0108270197004691","","","0.71073","MoKα","","0.0561","0.0789","","0.0803","0.0852","","","","1.08","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006438","9.28","0.05","9.83","0.04","15.24","0.1","90","","93.24","0.1","90","","1388","13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","VJ1051","Sriram, D.; Srinivasan, S.; Santhosh, K.C.; Balasubramanian, K.K.","6-Methyl-3-phenylthiochroman-4-one and 6-Methoxy-3-phenylthiochroman-4-one: Configurational Preference of the Phenylthio Group at the Third Position due to Remote Substitution","Acta Crystallographica Section C","1997","53","8","1073","1075","10.1107/S010827019700396X","","","0.71073","MoKα","","0.0608","0.0491","","0.1305","0.1225","","","","1.08","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006439","13.113","0.004","15.26","0.006","6.762","0.005","90","","92.36","0.04","90","","1352","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 S -","- C16 H14 O3 S -","- C64 H56 O12 S4 -","4","1","VJ1051","Sriram, D.; Srinivasan, S.; Santhosh, K.C.; Balasubramanian, K.K.","6-Methyl-3-phenylthiochroman-4-one and 6-Methoxy-3-phenylthiochroman-4-one: Configurational Preference of the Phenylthio Group at the Third Position due to Remote Substitution","Acta Crystallographica Section C","1997","53","8","1073","1075","10.1107/S010827019700396X","","","0.71073","MoKα","","0.059","0.0474","","0.1306","0.1214","","","","1.058","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006440","7.8642","0.0013","9.423","0.004","14.008","0.004","90","","90","","90","","1038.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N O6 -","- C8 H15 N O6 -","- C32 H60 N4 O24 -","4","1","VJ1056","Sriram, D.; Sreenivasan, H.; Srinivasan, S.; Priya, K.; Vishnu Thirtha, M.; Loganathan, D.","β-1-<i>N</i>-Acetamido-<small>D</small>-glucopyranose","Acta Crystallographica Section C","1997","53","8","1075","1077","10.1107/S0108270197003600","","","0.71073","MoKα","","0.0446","0.0328","","0.076","0.0697","","","","1.111","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006441","7.596","0.002","22.882","0.011","9.311","0.002","90","","110.18","0.02","90","","1519","0.9","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","trans-decahydroquinoline","N-Nitroso-3,3-dimethyl-2-phenyldecahydroquinolin-4-one","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","VJ1058","A.Thiruvalluvar; V.Parthasarathi; D.Natarajan; N.Bhavani; Mohan Bhadbhade","3,3-Dimethyl-<i>N</i>-nitroso-2-phenyldecahydroquinolin-4-one","Acta Crystallographica Section C","1997","53","8","1086","1088","10.1107/S0108270197004770","","","1.5418","CuKα","","0.0722","0.0587","","0.1681","0.1588","","","","1.076","1.148","1.148","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006442","9.4077","0.0012","10.1752","0.001","12.5542","0.0013","71.698","0.009","86.98","0.009","77.019","0.01","1111.6","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-Methano-1,4,4a,9a-Tetrahydroanthracene-9,10-Dione","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","2","AB1411","Günes̨, Bilal; Soylu, Hüseyin; Özbey, Süheyla; Kendi, Engin; Aydın, Ali","The 4:2 Diels‒Alder Adduct of 1,3-Cyclopentadiene with 1,4-Naphthoquinone","Acta Crystallographica Section C","1997","53","9","1301","1302","10.1107/S0108270197005830","","","0.71073","MoKα","","","0.0624","","0.1292","","","","","1.481","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006443","9.951","0.002","10.877","0.002","11.156","0.002","68.2","0.02","66.68","0.02","88.39","0.02","1019.5","0.4","296","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 Cu N2 O3 -","- C21 H30 Cu N2 O3 -","- C42 H60 Cu2 N4 O6 -","2","1","AB1436","Hsueh-Hua Yao; Bor-Hann Chen; Jem-Mau Lo; Fen-Ling Liao","The Dimeric Complex {2,2'-[2,2-Dimethyl-1,3-propanediylbis(aminomethyl)]diphenolato-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}copper(II) Ethanol Solvate","Acta Crystallographica Section C","1997","53","9","1222","1224","10.1107/S0108270197093980","","","0.71073","MoKα","","","0.0378","","","0.0475","","","","","1.47","1.47","","","","","has coordinates","208357","2020-10-21","18:00:00",""
"2006444","11.081","0.003","15.147","0.008","15.668","0.008","90","","96.14","0.03","90","","2615","2","203","","203","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","anti-2,5-di(isopropyl)phenyldi(1-tricyclo[3.3.1.1^3,7^]decyl)methanol","","- C33 H48 O -","- C33 H48 O -","- C132 H192 O4 -","4","1","AB1450","Vaissermann, Jacqueline; Lomas, John S.","A Highly Strained Tertiary Alcohol: <i>anti</i>-Di(1-adamantyl)[2,5-di(isopropyl)phenyl]methanol","Acta Crystallographica Section C","1997","53","9","1341","1343","10.1107/S010827019700629X","","","0.71069","MoKα","","","0.0875","","","","0.0892","","","","","","1.1414","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006445","13.228","0.003","12.805","0.002","16.817","0.006","90","","119.35","0.02","90","","2482.9","1.2","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O3 S2 -","- C26 H26 N2 O3 S2 -","- C104 H104 N8 O12 S8 -","4","1","AB1451","Park, Koon Ha; Kang, Jin Soo; Oh, Mi-Ran; Suh, Il-Hwan","4,4'-Bis(acetylamino)-2,2'-di(2-thienyl)biphenyl‒Ethanol (1/1)","Acta Crystallographica Section C","1997","53","9","1320","1322","10.1107/S0108270197006306","","","0.71069","MoKα","","0.1478","0.05","","0.1214","0.0881","","","","0.737","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006446","8.1949","0.0008","13.754","0.0007","11.35","0.002","90.22","0.007","93.333","0.009","90.082","0.007","1277.1","0.3","294","1","294","1","","","","","","","","3","P -1","-P 1","2","","4,12,16,24-Tetrahydroxycalix[4]arene Methanol Solvate (1:2)","","- C30 H32 O6 -","- C30 H32 O6 -","- C60 H64 O12 -","2","1","AB1469","Böhmer, Volker; Ferguson, George; Frings, Michael","4,12,16,24-Tetrahydroxycalix[4]arene‒Methanol (1/2)","Acta Crystallographica Section C","1997","53","9","1293","1295","10.1107/S0108270197003703","","","0.7107","MolybdenumKα","","0.1032","0.0465","","0.1493","","0.133","","","0.957","","","1.19","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006447","5.9564","0.0008","7.883","0.0003","23.293","0.0003","90","","97.18","0.01","90","","1085.13","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CpCo(dmit)","(4,5-disulfanyl-1,3-dithiole-2-thionato)(η-cyclopentadienyl)cobalt(III)","","- C8 H5 Co S5 -","- C8 H5 Co S5 -","- C32 H20 Co4 S20 -","4","1","AB1475","Fourmigué, Marc; Perrocheau, Vincent","Two Heteroleptic Cobalt(III) Cyclopentadienyl/Dithiolene Complexes","Acta Crystallographica Section C","1997","53","9","1213","1215","10.1107/S0108270197005544","","","0.71073","MoKα","","0.0758","0.0316","","0.0864","0.0733","","","","1.075","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006448","12.14","0.002","11.488","0.002","12.698","0.003","90","","110.91","0.02","90","","1654.3","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cp^*^Co(dmit)","(4,5-disulfanyl-1,3-dithiole-2-thionato)(η-pentamethylcyclopentadienyl) cobalt(III)","","- C13 H15 Co S5 -","- C13 H15 Co S5 -","- C52 H60 Co4 S20 -","4","1","AB1475","Fourmigué, Marc; Perrocheau, Vincent","Two Heteroleptic Cobalt(III) Cyclopentadienyl/Dithiolene Complexes","Acta Crystallographica Section C","1997","53","9","1213","1215","10.1107/S0108270197005544","","","0.71073","MoKα","","0.09","0.05","","0.064","0.055","","","","1.11","1.193","1.193","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006449","9.678","0.008","10.701","0.009","7.28","0.006","90.15","0.05","104.32","0.05","71.59","0.05","690.8","1","294","","294","","","","","","","","","5","P -1","-P 1","2","","bis(8-aminoquinoline)dichlorodimethyltin(IV)","","- C11 H14 Cl2 N2 Sn -","- C11 H14 Cl2 N2 Sn -","- C22 H28 Cl4 N4 Sn2 -","2","1","AB1483","Alan Hazell; Kar Fong Thong; Jiexiang Ouyang; Lian Ee Khoo","(8-Aminoquinoline-<i>N</i>,<i>N</i>')dichlorodimethyltin(IV)","Acta Crystallographica Section C","1997","53","9","1226","1228","10.1107/S0108270197006331","","","0.71073","MoKα","","","0.055","","","0.066","","","","","1.671","1.671","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006450","12.108","0.002","12.155","0.002","18.884","0.004","104.37","0.03","100.67","0.03","100.8","0.03","2565","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Mo(CO)(dpepp)(dppm)] (dppm = Ph~2~PCH~2~PPh~2~, dpepp = Ph~2~PCH~2~CH~2~P(Ph)CH~2~CH~2~PPh~2~)","carbonyl[bis[2-(diphenylphosphino)ethyl)]phenylphosphine- P,P',P''][methylenebis(diphenylphosphino)- P,P']molybdenum(0)","","- C60 H55 Mo O P5 -","- C60 H55 Mo O P5 -","- C120 H110 Mo2 O2 P10 -","2","1","BK1241","George, T. Adrian; DeBord, Jeffrey R. D.; Heier, Kevin; Tisdale, Robert C.; Davies, Marcia C.; Haas, Eric J.; Ross II, Charles R.; Stezowski, John J.","[Mo(C~25~H~22~P~2~)(C~34~H~33~P~3~)(CO)]","Acta Crystallographica Section C","1997","53","9","1251","1254","10.1107/S0108270196015806","","","0.71073","MoKα","","0.0821","0.051","","0.134","0.116","","","","1.02","1.05","1.05","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006451","8.903","0.003","14.911","0.004","19.778","0.004","90","","98.337","0.002","90","","2597.8","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","triphenylphosphine oxide.di-isopropyl azodicarboxylate","triphenylphosphine oxide . di-isopropyl azodicarboxylate adduct","","- C26 H31 N2 O5 P -","- C26 H31 N2 O5 P -","- C104 H124 N8 O20 P4 -","4","1","BK1276","Héroux, A.; Brisse, F.","Diisopropyl Hydrazocarboxylate‒Triphenylphosphine Oxide Adduct","Acta Crystallographica Section C","1997","53","9","1318","1320","10.1107/S0108270197005489","","","1.54018","CopperKα","","0.05","0.047","","0.056","0.056","","","","","4.22","4.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006452","11.5","0.004","7.97","0.002","16.521","0.003","90","","103.06","0.02","90","","1475.1","0.7","153.2","","153.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu F4 N2 O4 W -","- C10 H10 Cu0.67 F4.02 N2 O3.98 W0.67 -","- C40 H40 Cu2.68 F16.08 N8 O15.92 W2.68 -","4","1","BK1279","Halasyamani, Shiv; Heier, Kevin R.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.","CuW(py)~2~(H~2~ O)~2~O~2~F~4~ and CuW(py)~4~O~2~F~4~","Acta Crystallographica Section C","1997","53","9","1240","1244","10.1107/S0108270197005490","","","0.7107","MoKα","","","0.04","","","0.047","","","","","3.41","3.41","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2006453","10.45","0.002","13.396","0.003","16.067","0.007","90","","97.33","0.02","90","","2230.8","1.2","153.2","","153.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cu F4 N4 O2 W -","- C20 H20 Cu F4.02 N4 O1.98 W -","- C80 H80 Cu4 F16.08 N16 O7.92 W4 -","4","0.5","BK1279","Halasyamani, Shiv; Heier, Kevin R.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.","CuW(py)~2~(H~2~ O)~2~O~2~F~4~ and CuW(py)~4~O~2~F~4~","Acta Crystallographica Section C","1997","53","9","1240","1244","10.1107/S0108270197005490","","","0.7107","MoKα","","","0.038","","","0.05","","","","","4.45","4.45","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2006454","10.396","0.001","14.468","0.002","12.155","0.002","90","","112.53","0.01","90","","1688.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(2,2,6,6-tetramethyl-piperidinyl-1-oxy-O)bis(1,1,1,5,5,5- hexafluoroacetylacetonato-O,O"")cobalt(II)","","- C28 H38 Co F12 N2 O6 -","- C28 H38 Co F12 N2 O6 -","- C56 H76 Co2 F24 N4 O12 -","2","0.5","BK1320","Dickman, Michael H.","Bis(1,1,1,5,5,5-hexafluoroacetylacetonato-<i>O</i>,<i>O</i>')bis(2,2,6,6-tetramethylpiperidinyl-1-oxy-<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1997","53","9","1192","1195","10.1107/S0108270197005945","","","0.71073","MoKα","","0.0711","0.044","","0.112","0.0989","","","","1.03","1.089","1.089","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006455","6.9122","0.0006","13.1517","0.0011","7.8098","0.0007","90","","93.324","0.001","90","","708.77","0.11","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","4-iodobenzaldehyde","","- C7 H5 I O -","- C7 H5 I O -","- C28 H20 I4 O4 -","4","2","BK1329","Britton, Doyle; Young Jr, Victor G.","<i>p</i>-Iodobenzaldehyde","Acta Crystallographica Section C","1997","53","9","1359","1362","10.1107/S0108270197006288","","","0.71073","MoKα","","0.025","0.025","","0.0672","0.0671","","","","1.09","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006456","11.217","0.001","8.1008","0.0003","14.4403","0.0008","90","","104.34","0.01","90","","1271.26","0.15","297","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","","","1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene","","- C16 H10 Cl2 -","- C16 H10 Cl2 -","- C64 H40 Cl8 -","4","1","BK1334","Benites, Maria del Rosario; Maverick, Andrew W.; Fronczek, Frank R.","1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene","Acta Crystallographica Section C","1997","53","9","1334","1335","10.1107/S0108270197006355","","","1.54184","Cu-Kα","","","0.039","","","","0.059","","","","","","2.301","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006457","10.58","0.002","5.034","0.002","25.762","0.002","90","","91.56","0.01","90","","1371.6","0.6","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","4-(3-phenanthryl)butanoic acid","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","BK1335","Gerkin, Roger E.","4-(3-Phenanthryl)butanoic Acid","Acta Crystallographica Section C","1997","53","9","1275","1278","10.1107/S0108270197006367","","","0.71073","MoKα","","","0.062","","","","0.115","","","","","","1.24","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006458","10.77","0.002","10.045","0.002","16.499","0.004","90","","105.07","0.02","90","","1723.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6a,7-dihydro-2,6-dimethyl-7-phenyl- 6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a] pyrimidine-6a-ol","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","BM1134","Kovalevsky, A. Yu.; Chebanov, V. A.; Desenko, S. M.; Komykhov, S. A.; Orlov, V. D.; Shishkin, O. V.; Meier, H.","6a,7-Dihydro-2,6-dimethyl-7-phenyl-6<i>H</i>-chromeno[4,3-<i>d</i>]-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-6a-ol","Acta Crystallographica Section C","1997","53","9","1356","1357","10.1107/S0108270197003569","","","0.71073","MoKα","","0.091","0.043","","0.201","0.108","","","","1.152","1.149","1.149","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006459","25.76","0.004","8.159","0.0018","27.156","0.004","90","","116.257","0.012","90","","5118.6","1.7","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 As Cl F6 N2 S2 -","- C7 H4 As Cl F6 N2 S2 -","- C112 H64 As16 Cl16 F96 N32 S32 -","16","4","BM1156","Clegg, William; Elsegood, Mark R.J.; Banister, Arthur J.; Hibbert, Thomas G.","5-(<i>o</i>-Chlorophenyl)-1,3-dithia-2,4-diazolylium Hexafluoroarsenate","Acta Crystallographica Section C","1997","53","9","1208","1211","10.1107/S0108270197009165","","","0.71073","MoKα","","0.0646","0.0413","","0.1154","0.1001","","","","1.075","1.091","1.091","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006460","9.827","0.004","9.827","0.004","31.658","0.006","90","","90","","120","","2647.6","1.6","295","2","295","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Br4 Re6 Se7 -","- Br4 Re6 Se7 -","- Br24 Re36 Se42 -","6","0.166667","BR1146","Pinheiro, Carlos Basílio; Speziali, Nivaldo Lúcio; Berger, Helmut","Re~6~Se~7~Br~4~","Acta Crystallographica Section C","1997","53","9","1178","1180","10.1107/S0108270197004666","","","0.56083","AgKα","","","0.026","","","0.037","","","","","3.304","3.304","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006461","14.067","0.001","8.163","0.002","8.161","0.002","90","","90","","90","","937.1","0.3","293","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Cs F5 Tb -","- Cs F5 Tb -","- Cs8 F40 Tb8 -","8","","BR1167","Gaumet, Vincent; Avignant, Daniel","Caesium Pentafluoroterbate, CsTbF~5~","Acta Crystallographica Section C","1997","53","9","1176","1178","10.1107/S0108270197005556","","","0.71073","MoKα","","","0.026","","","0.028","","","","","1.339","1.339","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006462","7.848","0.002","19.867","0.004","10.773","0.003","90","","90","","90","","1679.7","0.7","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","hydrated strontium iron (III) fluoride","","","- F10 Fe2 H2 O Sr2 -","- F10 Fe2 H2 O Sr2 -","- F80 Fe16 H16 O8 Sr16 -","8","0.5","","Jean-Marc Le Meins; Annie Hemon-Ribaud; Georges Courbion","Sr~2~Fe~2~F~10~.H~2~O, the First Hydrated Strontium Iron(III) Fluoride","Acta Crystallographica Section C","1997","53","","1165","1166","","","","","","","","0.0321","","","0.0683","","","","","","","","","","","has coordinates","191889","2020-10-21","18:00:00",""
"2006463","5.1636","0.001","8.0324","0.001","14.8009","0.0002","95.796","0.001","90.315","0.001","108.078","0.001","580.16","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","cesium trizinc phosphate bis(hydrogenphosphate)","","- Cs H2 O12 P3 Zn3 -","- Cs O12 P3 Zn3 -","- Cs2 O24 P6 Zn6 -","2","1","BR1177","Pingyun Feng; Xianhui Bu; Galen D. Stucky","A Caesium Zinc Phosphate Constructed from Ladder-Like Four-Ring Chains","Acta Crystallographica Section C","1997","53","9","1170","1173","10.1107/S0108270197004423","","","0.71073","MoKα","","0.0479","0.0384","","0.11","0.0904","","","","0.988","0.909","0.909","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006464","14.636","0.002","15.185","0.003","17.928","0.002","90","","90","","90","","3984.5","1.1","293","","293","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","{2,6-bis[(4R,5R)-1,3-dimethyl-4,5-diphenylimidazolidin- 2-yl]pyridine-N^1^,N,N^1^'}chloro-copper(II) hexafluorophosphate methanol solvate","","- C39.5 H43 Cl Cu F6 N5 O0.5 P -","- C39.5 H43 Cl Cu F6 N5 O0.5 P -","- C158 H172 Cl4 Cu4 F24 N20 O2 P4 -","4","1","CF1153","Bohnen, Frank M.; Goddard, Richard; Minidis, Alexander B. E.; Alexakis, Alexandre; Pfaltz, Andreas","A Copper(II) Complex of a New Chiral Tridentate Imidazoline Ligand","Acta Crystallographica Section C","1997","53","9","1236","1238","10.1107/S0108270197003673","","","0.71069","MoKα","","0.196","0.059","","","0.139","0.179","","","","","","1.007","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006465","12.201","0.002","12.8625","0.0014","18.571","0.002","90","","90","","90","","2914.4","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isoalangidiol monoacetate","(3α,18α)-B':A'-Neogammacerane-3,18-diol","","- C32 H54 O3 -","- C32 H54 O3 -","- C128 H216 O12 -","4","1","DE1038","Bhattacharyya, Kinkini; Chaudhuri, Siddhartha; Achari, Basudeb; Mazumdar, Biswanath; Mazumdar, Sunil Kumar","Isoalangidiol Monoacetate, a Triterpene Alcohol","Acta Crystallographica Section C","1997","53","9","1299","1301","10.1107/S0108270196014126","","","0.71073","MoKα","","0.0655","0.0525","","0.1575","0.1353","","","","0.981","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006466","18.033","0.009","14.019","0.009","8.973","0.005","90","","90","","90","","2268","2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","α-(4‒Hydroxy phenyl)-N-Phenyl nitrone","N-(p-Hydroxy Benzylidene)phenylamine N-oxide","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C104 H88 N8 O16 -","8","1","DE1054","Vijayalakshmi, L.; Parthasarathi, V.; Manishanker, P.","<i>N</i>-(<i>p</i>-Hydroxybenzylidene)phenylamine <i>N</i>-Oxide","Acta Crystallographica Section C","1997","53","9","1343","1344","10.1107/S010827019700560X","","","0.7071","MoKα","","0.146","0.035","","0.115","0.079","","","","0.972","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006469","8.619","0.001","13.983","0.001","7.344","0.001","94.17","0.01","68.69","0.01","102.14","0.01","806.13","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Sodium 1,6-diammoniumhexane cyclotriphosphate dihydrate","","- C6 H22 N2 Na O11 P3 -","- C6 H22 N2 Na O11 P3 -","- C12 H44 N4 Na2 O22 P6 -","2","1","DU1172","Thabet, Hédi; Jouini, Amor","Sodium 1,6-Hexanediammonium Cyclotriphosphate Dihydrate","Acta Crystallographica Section C","1997","53","9","1182","1184","10.1107/S0108270197005623","","","0.71069","MoKα","","0.0357","0.0259","","0.0754","0.0696","","","","1.05","1.066","1.066","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006470","22.822","0.003","7.667","0.001","14.697","0.001","90","","106.31","0.01","90","","2468.1","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-benzoyl-2-methylindole","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","1","FG1244","M. Paz Martinez-Alcazar; Isabel Fonseca; Felix H. Cano; J. Gonzalo Rodriguez; Anahi Urrutia","3-Benzoyl-2-methylindole","Acta Crystallographica Section C","1997","53","9","1345","1347","10.1107/S0108270197005180","","","1.5418","CuKα","","0.0701","0.0644","","0.1547","0.1503","","","","1.13","1.203","1.203","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006471","11.38","0.002","11.541","0.002","17.111","0.003","104.95","0.02","98.2","0.02","91.1","0.02","2145.3","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Triphenylsilyl(pentacarbonyl)manganese(I)","","","- C23 H15 Mn O5 Si -","- C23 H15 Mn O5 Si -","- C92 H60 Mn4 O20 Si4 -","4","2","FG1256","Anne-Marie Lebuis; Dharamdat Christendat; Denis F. R. Gilson; Ian S. Butler","Pentacarbonyl(triphenylsilyl)manganese(I)","Acta Crystallographica Section C","1997","53","9","1206","1208","10.1107/S0108270197005192","","","0.7107","MoKα","","0.1542","0.069","","0.1078","0.0863","","","","0.918","1.054","1.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006472","13.847","0.003","9.232","0.002","14.681","0.003","90","","108.57","0.03","90","","1779","0.7","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","bis(triphenylphosphinesulfide-S)gold(I) difluorophosphate(V)","","- C36 H30 Au F2 O2 P3 S2 -","- C36 H30 Au F2.024 O2.024 P3 S2 -","- C72 H60 Au2 F4.048 O4.048 P6 S4 -","2","0.5","FG1269","LeBlanc, Daren J.; Britten, James F.; Lock, Colin J.L.","Bis(triphenylphosphine sulfide-<i>S</i>)gold(I) Difluorophosphate(V)","Acta Crystallographica Section C","1997","53","9","1204","1206","10.1107/S0108270197005209","","","0.56086","AgKα","","0.0728","0.0496","","0.1164","0.1095","","","","0.912","1.025","1.025","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006473","15.266","0.002","16.262","0.003","14.1071","0.0015","90","","90","","90","","3502.2","0.9","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","1","FG1285","Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James","Methyl 8c-Phenyl-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate","Acta Crystallographica Section C","1997","53","9","1262","1263","10.1107/S0108270197005258","","","1.5418","CuKα","","0.0569","0.0406","","","","0.1178","","","","","","2.22","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006474","8.766","0.002","17.885","0.002","12.612","0.002","90","","103.661","0.011","90","","1921.4","0.6","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","FG1286","Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James","<i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-methyl-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b,8c-dicarboxamide","Acta Crystallographica Section C","1997","53","9","1263","1265","10.1107/S010827019700526X","","","1.5418","CuKα","","0.072","0.043","","","","0.119","","","","","","1.78","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006475","7.4058","0.0009","8.7129","0.001","6.0114","0.0006","94.915","0.01","102.386","0.01","114.847","0.008","336.96","0.07","296","","296","","","","","","","","","4","P -1","-P 1","2","2-bromosenecioic acid","2-bromo-3-methyl-2-butenoic acid","","- C5 H7 Br O2 -","- C5 H7 Br O2 -","- C10 H14 Br2 O4 -","2","1","FG1293","Gerkin, Roger E.","2-Bromo-3-methyl-2-butenoic Acid (2-Bromosenecioic Acid)","Acta Crystallographica Section C","1997","53","9","1278","1280","10.1107/S0108270197005647","","","0.71073","MoKα","","","0.043","","","","0.029","","","","","","1.81","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006476","19.604","0.002","9.7659","0.0012","17.8787","0.0018","90","","105.524","0.008","90","","3298","0.6","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,13-Dithia[3]metacyclo[3](2,3)-naphthalenophane","","- C20 H18 S2 -","- C20 H18 S2 -","- C160 H144 S16 -","8","1","FG1295","Jones, Peter G.; Kuś, Piotr","2,13-Dithia[3]metacyclo[3](2,3)naphthalenophane and 2,13-Dithia[3]metacyclo[3](1,7)naphthalenophane","Acta Crystallographica Section C","1997","53","9","1307","1310","10.1107/S0108270197003946","","","0.71073","MoKα","","0.0476","0.0354","","0.0976","0.0934","","","","1.025","1.119","1.119","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006477","8.846","0.002","13.178","0.003","13.876","0.003","90","","101.28","0.02","90","","1586.3","0.6","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,13-Dithia[3]metacyclo[3](1,7)-naphthalenophane","","- C20 H18 S2 -","- C20 H18 S2 -","- C80 H72 S8 -","4","1","FG1295","Jones, Peter G.; Kuś, Piotr","2,13-Dithia[3]metacyclo[3](2,3)naphthalenophane and 2,13-Dithia[3]metacyclo[3](1,7)naphthalenophane","Acta Crystallographica Section C","1997","53","9","1307","1310","10.1107/S0108270197003946","","","0.71073","MoKα","","0.09","0.0513","","0.1273","0.1147","","","","0.921","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006478","20.12","0.004","13.075","0.004","6.149","0.004","90","","90","","90","","1617.6","1.2","294","","294","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H26 O -","- C18 H26 O -","- C72 H104 O4 -","4","1","FG1298","Fu, Tai Y.; Leibovitch, Mordechai; Scheffer, John R.; Trotter, James","(<i>Z</i>)-1-Benzoyl-4-<i>tert</i>-butyl-1-methylcyclohexane and (<i>Z</i>)-4-<i>tert</i>-Butyl-1-methyl-1-thiobenzoylcyclohexane","Acta Crystallographica Section C","1997","53","9","1255","1256","10.1107/S0108270197005283","","","1.5418","CuKα","","0.0627","0.0368","","","","0.1104","","","","","","1.12","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006479","12.853","0.001","32.252","0.003","7.945","0.001","90","","90","","90","","3293.5","0.6","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H26 S -","- C18 H26 S -","- C144 H208 S8 -","8","1","FG1298","Fu, Tai Y.; Leibovitch, Mordechai; Scheffer, John R.; Trotter, James","(<i>Z</i>)-1-Benzoyl-4-<i>tert</i>-butyl-1-methylcyclohexane and (<i>Z</i>)-4-<i>tert</i>-Butyl-1-methyl-1-thiobenzoylcyclohexane","Acta Crystallographica Section C","1997","53","9","1255","1256","10.1107/S0108270197005283","","","1.5418","CuKα","","0.0641","0.0472","","","","0.1189","","","","","","2.36","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006480","23.91","0.003","5.492","0.004","16.831","0.003","90","","112.208","0.012","90","","2046.2","1.6","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Diethyl-bis-thiophenyl propenoato tin complex","","","- C18 H20 O4 S2 Sn -","- C18 H20 O4 S2 Sn -","- C72 H80 O16 S8 Sn4 -","4","0.5","FG1299","Parvez, Masood; Ali, Saqib; Masood, Tariq M.; Mazhar, Muhammad; Danish, Muhammad","Diethylbis[3-(2-thienyl)-2-propenoato-<i>O</i>,<i>O</i>']tin(IV)","Acta Crystallographica Section C","1997","53","9","1211","1213","10.1107/S0108270197005210","","","0.71069","MoKα","","0.0582","0.0334","","0.211","0.0839","","","","1.215","1.204","1.204","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006481","11.65","0.003","8.53","0.007","26.837","0.003","90","","97.6","0.01","90","","2643","2","294","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H37 N O5 -","- C28 H37 N O5 -","- C112 H148 N4 O20 -","4","2","FG1301","Fu, Tai Y.; Scheffer, John R.; Trotter, James","4-[2,4,6-Tris(1-methylethyl)benzoyl]benzoic Acid (<i>S</i>)-({-})-Proline","Acta Crystallographica Section C","1997","53","9","1259","1262","10.1107/S0108270197005295","","","1.5418","CuKα","","0.089","0.053","","","","0.149","","","","","","1.66","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006482","12.9397","0.0012","4.9019","0.0004","23.18","0.0003","90","","90.703","0.009","90","","1470.18","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6,7-Trimethyl-3-(2'-pyridine)-3,4-dihydro-4-oxoquinazoline-8-carboxylic Acid","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C68 H60 N12 O12 -","4","1","FG1307","Kubicki, Maciej; Szkaradzińska, Maria B.; Codding, Penelope W.","3,4-Dihydro-2,6,7-trimethyl-4-oxo-3-(2-pyridyl)quinazoline-8-carboxylic Acid","Acta Crystallographica Section C","1997","53","9","1291","1293","10.1107/S0108270197005659","","","1.54178","CuKα","","0.0934","0.0534","","0.1949","0.1214","","","","1.307","0.993","0.993","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006483","9.751","0.001","12.133","0.0002","13.9205","0.0009","90","","105.654","0.008","90","","1585.8","0.2","293","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O2 -","- C18 H26 O2 -","- C72 H104 O8 -","4","1","FG1311","Caracelli, I.; Iulek, J.; Neves, Ademir; Vencato, Ivo; Silva Jr, F.; Brocksom, Timothy John; Zukerman-Schpector, J.","Intermediates in the Synthesis of Cembrane Diterpenes. I","Acta Crystallographica Section C","1997","53","9","1282","1284","10.1107/S0108270197005325","","","0.71073","MoKα","","0.1147","0.0574","","0.1824","0.1378","","","","1.1","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006484","12.038","0.002","5.506","0.001","13.087","0.001","90","","94.576","0.009","90","","864.7","0.2","208","","208","","","","","","","","","3","P 1 21 1","P 2yb","4","(+)-trans-2-phenylcyclopropanecarboxylic acid","(+)-trans-(1S,2S)-2-phenylcyclopropanecarboxylic acid","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","2","FG1312","Gerkin, Roger E.","Hydrogen Bonding and Ring Asymmetry in a Substituted Cyclopropane: (+)-<i>trans</i>-(1<i>S</i>,2<i>S</i>)-2-Phenylcyclopropanecarboxylic Acid at 208K","Acta Crystallographica Section C","1997","53","9","1280","1282","10.1107/S0108270197005660","","","0.71073","MoKα","","","0.058","","","","0.068","","","","","","1.6","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006485","10.5549","0.001","14.3979","0.0014","18.135","0.0002","96.474","0.008","90.053","0.006","96.379","0.008","2721.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H54 Cl13 O4 P3 -","- C45 H54 Cl13 O4 P3 -","- C90 H108 Cl26 O8 P6 -","2","1","FG1315","Thönnessen, Holger; Jones, Peter G.; Schmutzler, Reinhard; Gloede, Jörg","An Unusual Calix[4]arene Derivative Containing Phosphorus with Coordination Numbers 4, 5 and 6","Acta Crystallographica Section C","1997","53","9","1310","1312","10.1107/S0108270197004721","","","0.71073","MoKα","","0.0835","0.0575","","0.1818","0.1587","","","","1.049","1.172","1.172","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006486","9.218","0.002","16.055","0.004","13.804","0.002","90","","94.89","0.02","90","","2035.5","0.7","294","","294","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 S -","- C22 H28 S -","- C88 H112 S4 -","4","1","FG1319","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Phenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione and 4-Methoxyphenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione","Acta Crystallographica Section C","1997","53","9","1257","1259","10.1107/S0108270197005246","","","0.7107","MoKα","","","0.0513","","","","0.1553","","","","","","1.31","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006487","11.336","0.001","13.136","0.002","14.24","0.002","90","","96.667","0.009","90","","2106.1","0.5","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 O S -","- C23 H30 O S -","- C92 H120 O4 S4 -","4","1","FG1319","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Phenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione and 4-Methoxyphenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione","Acta Crystallographica Section C","1997","53","9","1257","1259","10.1107/S0108270197005246","","","1.5418","CuKα","","","0.0472","","","","0.1445","","","","","","2.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006488","7.8306","0.0008","10.0242","0.0008","9.5404","0.0012","90","","92.282","0.01","90","","748.28","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-chlorodimesylamine","","- C2 H6 Cl N O4 S2 -","- C2 H6 Cl N O4 S2 -","- C8 H24 Cl4 N4 O16 S8 -","4","1","FG1321","Moers, Oliver; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXV. <i>N</i>-Chlorodimesylamine","Acta Crystallographica Section C","1997","53","9","1305","1307","10.1107/S0108270197005301","","","0.71073","MoKα","","0.0222","0.0207","","0.0555","0.0549","","","","1.07","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006489","16.84","0.004","10.859","0.003","10.039","0.002","90","","90","","90","","1835.8","0.8","178","2","178","2","","","","","","","","5","C m c 21","C 2c -2","36","","(Acetonitrilo)(η^5^-1,3-di-t-butylcyclopentadienyl)trichloromolybdenum(IV)","","- C15 H24 Cl3 Mo N -","- C15 H24 Cl3 Mo N -","- C60 H96 Cl12 Mo4 N4 -","4","0.5","FG1323","Scheer, Manfred; Jones, Peter G.","(Acetonitrile-<i>N</i>)trichloro(η^5^-1,3-di-<i>tert</i>-butylcyclopentadienyl)molybdenum(IV)","Acta Crystallographica Section C","1997","53","9","1198","1199","10.1107/S0108270197005313","","","0.71073","MoKα","","0.0176","0.0173","","0.0435","0.0433","","","","1.123","1.127","1.127","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006490","6.0389","0.0004","32.772","0.003","7.3695","0.0008","90","","97.75","0.008","90","","1445.2","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Silver(I) Di(4-fluorobenzenesulfonyl)amide Monohydrate","","- C12 H10 Ag F2 N O5 S2 -","- C12 H10 Ag F2 N O5 S2 -","- C48 H40 Ag4 F8 N4 O20 S8 -","4","1","FG1325","Weitze, Achim; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXVI. Silver(I) Bis(4-fluorobenzenesulfonyl)amide Monohydrate","Acta Crystallographica Section C","1997","53","9","1195","1197","10.1107/S0108270197005672","","","0.71073","MoKα","","0.0382","0.0274","","0.0661","0.0628","","","","1.045","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006491","9.941","0.002","12.084","0.003","14.001","0.003","90","","110.14","0.02","90","","1579.1","0.6","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis[1-(β-naphthyliminomethyl)-2-naphtholato-N,O]nickel(II)","","- C42 H28 N2 Ni O2 -","- C42 H28 N2 Ni O2 -","- C84 H56 N4 Ni2 O4 -","2","0.5","FG1334","Gavranić, Marijana; Kaitner, Branko; Meštrović, Ernest","Bis[<i>N</i>-(β-naphthyl)-2-oxy-1-naphthaldiminato]nickel(II)","Acta Crystallographica Section C","1997","53","9","1232","1234","10.1107/S0108270197007038","","","0.71069","MolybdenumKα","","","0.034","","","0.054","","","","","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006492","11.697","0.006","12.788","0.007","14.138","0.007","99.72","0.04","100.14","0.04","109.04","0.03","1908.8","1.8","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H41 N5 O7 -","- C45 H41 N5 O7 -","- C90 H82 N10 O14 -","2","1","FG1339","Johannes, Hans-Hermann; Grahn, Walter; Dix, Ina; Jones, Peter G.","1,3,3-Trimethyl-5-styryl-2-[(1,3,3-trimethyl-5-styryl-2-indolinylidene)methyl]-3<i>H</i>-indolinium Picrate: an Extended Trichromophoric System","Acta Crystallographica Section C","1997","53","9","1363","1366","10.1107/S0108270197007609","","","0.71073","MoKα","","0.158","0.071","","0.145","0.11","","","","1.041","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006493","7.946","0.002","7.19","0.003","13.593","0.002","90","","94.58","0.01","90","","774.1","0.4","296","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 N2 O2 -","- C9 H6 N2 O2 -","- C36 H24 N8 O8 -","4","1","FR1032","Okabe, Nobuo; Akita, Mayumi","5-Hydroxyimino-8-quinolone","Acta Crystallographica Section C","1997","53","9","1324","1325","10.1107/S0108270197006227","","","0.71069","MoKα","","","0.063","","","0.058","","","","","1.46","1.46","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2006494","7.6381","0.0002","8.0844","0.0001","12.5955","0.0004","99.042","0.001","93.042","0.002","92.225","0.002","766.14","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cl N3 O4 -","- C14 H18 Cl N3 O4 -","- C28 H36 Cl2 N6 O8 -","2","1","FR1045","Abboud, Khalil A.; Ortiz, Carlos G.; Palenik, Ruth C.; Palenik, Gus J.","2-[1-(Salicyloylhydrazono)ethyl]pyridinium Chloride Dihydrate at 173K","Acta Crystallographica Section C","1997","53","9","1322","1323","10.1107/S0108270197004745","","","0.71073","MoKα","","0.043","0.036","","0.108","0.09","","","","1.094","1.092","1.092","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006495","19.824","0.002","5.373","0.002","21.638","0.001","90","","113.308","0.006","90","","2116.7","0.8","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","phenanthrene-9-carboxylic acid","phenanthrene-9-carboxylic acid","","- C15 H10 O2 -","- C15 H10 O2 -","- C120 H80 O16 -","8","1","FR1046","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Phenanthrene-9-carboxylic Acid","Acta Crystallographica Section C","1997","53","9","1265","1267","10.1107/S0108270197005787","","","0.71073","MoKα","","","0.044","","","","0.048","","","","","","1.64","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006496","11.497","0.002","12.507","0.002","11.789","0.002","90","","101.64","0.02","90","","1660.3","0.5","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","benzophenone-3,3',4,4'-tetracarboxylic acid dihydrate","","","- C17 H14 O11 -","- C17 H14 O11 -","- C68 H56 O44 -","4","1","FR1049","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Benzophenone-3,3',4,4'-tetracarboxylic Acid Dihydrate","Acta Crystallographica Section C","1997","53","9","1267","1270","10.1107/S0108270197006069","","","0.71073","MoKα","","","0.054","","","","0.049","","","","","","1.49","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006497","6.686","0.003","11.304","0.009","6.399","0.002","95.46","0.04","113.56","0.03","83.54","0.05","439.8","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","4,4-dimethyl-5-iodo-2-oxazineone","","- C6 H10 I N O2 -","- C6 H9 I N O2 -","- C12 H18 I2 N2 O4 -","2","1","FR1050","Mague, Joel T.; Ensley, Harry E.; Ling, Jing","Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates","Acta Crystallographica Section C","1997","53","9","1347","1350","10.1107/S0108270197006070","","","0.71073","MoKα","","0.08","0.064","","","0.082","","","","","2.216","2.216","","","","","has coordinates","278247","2022-09-28","15:09:31",""
"2006498","6.165","0.0009","6.762","0.001","11.761","0.001","102.81","0.01","90.09","0.01","117.05","0.01","422.82","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","1-methyl-1-(1-iodoethyl)-2-oxazolidinone","","- C6 H10 I N O2 -","- C6 H10 I N O2 -","- C12 H20 I2 N2 O4 -","2","1","FR1050","Mague, Joel T.; Ensley, Harry E.; Ling, Jing","Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates","Acta Crystallographica Section C","1997","53","9","1347","1350","10.1107/S0108270197006070","","","0.71073","MoKα","","0.032","0.025","","","0.037","","","","","1.39","1.39","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006499","42.768","0.009","11.338","0.002","10.123","0.001","90","","102.16","0.01","90","","4798.5","1.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-iodo-6-(n-pentyl)-2-oxazineone","","- C9 H16 I N O2 -","- C9 H16 I N O2 -","- C144 H256 I16 N16 O32 -","16","2","FR1050","Mague, Joel T.; Ensley, Harry E.; Ling, Jing","Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates","Acta Crystallographica Section C","1997","53","9","1347","1350","10.1107/S0108270197006070","","","0.71073","MoKα","","0.086","0.039","","","0.05","","","","","1.86","1.86","","","","","has coordinates,has Fobs","208362","2020-10-21","18:00:00",""
"2006500","9.07","0.001","9.734","0.001","9.779","0.002","117.86","0.01","112.16","0.01","92.36","0.01","681.5","0.2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(3-picoline)palladium(II) chloride trihydrate","","- C24 H32 Cl2 N4 O2 Pd -","- C24 H36 Cl2 N4 O2 Pd -","- C24 H36 Cl2 N4 O2 Pd -","1","0.5","JZ1170","Chen, Wei; Liu, Cai-ming; Xiong, Ren-gen; You, Xiao-zeng","4:1 Lewis Base Adducts of Palladium Dichloride: [Pd(3-picoline)~4~]Cl~2~.2H~2~O","Acta Crystallographica Section C","1997","53","9","1218","1220","10.1107/S0108270197002576","","","0.71073","MoKα","","0.032","0.032","","0.083","0.083","","","","1.109","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006501","13.869","0.001","12.606","0.002","19.699","0.005","90","","96.94","0.01","90","","3418.8","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Carbonylchloro[2-(diphenylphosphanyl)thiophenolato-P,S]hydridotriphenyl phosphaneiridium(III)-Dichloromethane-(4:1)-Solvate","","- C37.25 H30.5 Cl1.5 Ir O P2 S -","- C37.25 H30.5 Cl1.5 Ir O P2 S -","- C149 H122 Cl6 Ir4 O4 P8 S4 -","4","1","JZ1186","Dahlenburg, Lutz","Carbonylchloro[2-(diphenylphosphino)thiophenolato-<i>P</i>,<i>S</i>]hydrido(triphenylphosphine-<i>P</i>)iridium(III)‒Dichloromethane Solvate (4/1)","Acta Crystallographica Section C","1997","53","9","1190","1192","10.1107/S0108270197005167","","","0.7107","MoKα","","0.0846","0.0555","","0.1672","0.1462","","","","1.068","1.123","1.123","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006502","14.4318","0.0014","10.2646","0.001","17.997","0.002","90","","103.689","0.001","90","","2590.3","0.5","123","2","123","2","","","","","","","","6","P 1 n 1","P -2yac","7","","(±)-tert-Butyl 3-Hydroxy-4-methyl-2-[(toluolsulfonyl)amino]butanoate","","- C23 H31 Cl2 N O5 S -","- C23 H31 Cl2 N O5 S -","- C92 H124 Cl8 N4 O20 S4 -","4","2","JZ1189","Görbitz, Carl Henrik; Kazmaier, Uli; Grandel, Roland","(±)-<i>tert</i>-Butyl 3-Hydroxy-4-phenyl-2-(<i>p</i>-toluenesulfonylamino)pentanoate‒Dichloromethane (1/1): a Pseudo Centre of Symmetry in an Enantiomeric Pair","Acta Crystallographica Section C","1997","53","9","1302","1305","10.1107/S0108270197006033","","","0.71073","MoKα","","0.0466","0.0412","","0.0982","0.0937","","","","1.086","1.08","1.08","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2006503","7.875","0.003","24.756","0.01","14.582","0.006","90","","104.26","0.03","90","","2755.2","1.9","126","2","126","2","","","","","","","","3","P 1 21 1","P 2yb","4","compound (1)","13^1^-Deoxo-17-depropionic acid-17-propionyl-phytochlorin","","- C33 H40 N4 -","- C33 H40 N4 -","- C132 H160 N16 -","4","2","JZ1193","Senge, Mathias O.; Smith, Kevin M.","Structure and Conformation of Photosynthetic Pigments and Related Compounds. 10. Comparison of a Phytochlorin and Phytoporphyrin Derived from Chlorophyll <i>a</i>","Acta Crystallographica Section C","1997","53","9","1314","1318","10.1107/S0108270197003648","","","0.71073","MoKα","","0.0824","0.0576","","0.1397","0.1257","","","","1.022","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006504","9.703","0.003","11.906","0.002","13.685","0.003","99.11","0.02","107.84","0.02","106.67","0.02","1388.1","0.7","126","2","126","2","","","","","","","","4","P -1","-P 1","2","compound (2)","Phytoporphyrin methyl ester","","- C34 H36 N4 O3 -","- C34 H36 N4 O3 -","- C68 H72 N8 O6 -","2","1","JZ1193","Senge, Mathias O.; Smith, Kevin M.","Structure and Conformation of Photosynthetic Pigments and Related Compounds. 10. Comparison of a Phytochlorin and Phytoporphyrin Derived from Chlorophyll <i>a</i>","Acta Crystallographica Section C","1997","53","9","1314","1318","10.1107/S0108270197003648","","","0.71073","MoKα","","0.0909","0.0654","","0.1985","0.1742","","","","1.037","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006505","12.724","0.0004","6.703","0.0005","16.8484","0.0013","90","","90","","90","","1436.98","0.16","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Monomeric (Pyrazine)(N-salicylideneaminoisobutyrato)copper(II)","","- C15 H15 Cu N3 O3 -","- C15 H15 Cu N3 O3 -","- C60 H60 Cu4 N12 O12 -","4","0.5","JZ1198","Warda, Salam A.","Monomeric (Pyrazine-<i>N</i>)(<i>N</i>-salicylidene-α-amino-2-methylpropanoato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1997","53","9","1186","1188","10.1107/S010827019700543X","","","0.71073","MoKα","","0.0318","0.0263","","0.0814","0.0779","","","","1.087","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006506","16.2226","0.0013","17.8756","0.0015","19.0452","0.0018","90","","90","","90","","5522.9","0.8","150","2","150","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","1,2,4,5-Tetrakis(trimethylsilylmethyl)benzene","","- C22 H46 Si4 -","- C22 H46 Si4 -","- C176 H368 Si32 -","8","0.25","JZ1201","Nagel, Norbert; Ansari, Manssur; Bock, Hans","1,2,4,5-Tetrakis(trimethylsilylmethyl)benzene at 150K","Acta Crystallographica Section C","1997","53","9","1329","1331","10.1107/S0108270197005179","","","0.71073","MoKα","","0.0472","0.0356","","0.0927","0.0862","","","","1.089","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006507","9.534","0.002","10.486","0.002","10.486","0.002","109.05","0.01","92","0.01","110.64","0.01","913.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-bicyclo[2.2.1]hept-5-ene-2-exo,3-exo-dicarboxylato- κ^2^O,O':κ^2^O'',O''')bis[aqua(2,2'-bipyridine-N,N')manganese(II)] Monohydrate","","- C38 H38 Mn2 N4 O11 -","- C38 H38 Mn2 N4 O11 -","- C38 H38 Mn2 N4 O11 -","1","0.5","JZ1202","Baumeister, Ute; Hartung, Helmut","Bis(μ-bicyclo[2.2.1]hept-5-ene-2-<i>exo</i>,3-<i>exo</i>-dicarboxylato-κ^2^<i>O</i>,<i>O</i>':κ^2^<i>O</i>'',<i>O</i>''')bis[aqua(2,2'-bipyridine-<i>N</i>,<i>N</i>')manganese(II)] Monohydrate","Acta Crystallographica Section C","1997","53","9","1246","1248","10.1107/S0108270197004757","","","0.71073","MoKα","","0.0572","0.0316","","0.084","0.0768","","","","1.006","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006508","10.0033","0.0001","10.0382","0.0001","14.3045","0.0001","90.619","0.001","99.805","0.001","113.053","0.001","1297.61","0.02","140","","140","","","","","","","","","2","P -1","-P 1","2","","6,6-Diphenylfulvene","","- C18 H14 -","- C18 H14 -","- C72 H56 -","4","2","JZ1206","Bolte, Michael; Amon, Michael","6,6-Diphenylfulvene at 140K","Acta Crystallographica Section C","1997","53","9","1354","1356","10.1107/S0108270197005854","","","0.71073","MoKα","","0.0628","0.0417","","0.1017","0.0909","","","","1.03","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006509","25.524","0.008","15.174","0.005","10.978","0.003","90","","109.07","0.03","90","","4018","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetracarbonylbis[(2-methoxyphenyl)diphenylphosphane]tungsten-dichloromethane (4/1)","","- C42.25 H34.5 Cl0.5 O6 P2 W -","- C42.25 H34.5 Cl0.5 O6 P2 W -","- C169 H138 Cl2 O24 P8 W4 -","4","0.5","KA1228","Dahlenburg, Lutz; Herbst, Konrad; Knoch, Falk","Tetracarbonylbis[(2-methoxyphenyl)diphenylphosphine-<i>P</i>]tungsten Dichloromethane 0.25-Solvate","Acta Crystallographica Section C","1997","53","9","1188","1190","10.1107/S0108270197006136","","","0.71073","MoKα","","0.0454","0.0402","","0.1478","0.1453","","","","1.165","1.232","1.232","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006510","14.53","0.006","13.29","0.006","14.231","0.006","90","","110.31","0.03","90","","2577","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Tricyanomethanido)bis(2,2'-bipyridine)copper(II) Tricyanomethanide","","- C28 H16 Cu N10 -","- C28 H16 Cu N10 -","- C112 H64 Cu4 N40 -","4","1","KA1238","Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Jäger, Lothar","Bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(tricyanomethanido-<i>N</i>)copper(II) Tricyanomethanide","Acta Crystallographica Section C","1997","53","9","1215","1218","10.1107/S0108270197006161","","","0.71073","MoKα","","0.0936","0.036","","0.1153","0.0882","","","","0.662","0.744","0.744","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006511","17.427","0.002","10.021","0.005","28.639","0.003","90","","106.71","0.01","90","","4790","3","293","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 Cu2 N4 P2 S6 W -","- C44 H46 Cu2 N4 P2 S6 W -","- C176 H184 Cu8 N16 P8 S24 W4 -","4","0.5","KH1106","Wang, Quanming; Wu, Xintao; Huang, Qun; Sheng, Tianlu","A Linear Cluster with Mixed Ligands, [WCu~2~S~4~(tpt)~2~(PPh~3~)~2~]","Acta Crystallographica Section C","1997","53","9","1220","1221","10.1107/S0108270196014710","","","0.71069","MoKα","","","0.0368","","","0.0374","","","","","1.04","1.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006512","18.214","0.005","7.416","0.002","12.037","0.003","90","","108.49","0.02","90","","1542","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Phenyl-5-(2-naphthyl)-1,2,4-trioxolane-3-carbonitrile","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C76 H52 N4 O12 -","4","1","KH1149","Kunsoo Lee; Taesung Huh; Hoseop Yun","The Stereochemical Assignment of the Ozonide 5-(2-Naphthyl)-3-phenyl-1,2,4-trioxolane-3-carbonitrile","Acta Crystallographica Section C","1997","53","9","1325","1327","10.1107/S010827019700646X","","","0.7107","MoKα","","0.0763","0.0719","","0.2119","0.2069","","","","1.053","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006513","8.6351","0.0008","15.6177","0.001","8.8929","0.0015","90","","115.486","0.008","90","","1082.6","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N4 O8 -","- C18 H26 N4 O8 -","- C36 H52 N8 O16 -","2","0.5","LN1002","Lo, Jem-Mau; Yao, Hsueh-Hua; Lu, Tian-Huey","<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzyl)-1,4-butanediammonium Dinitrate","Acta Crystallographica Section C","1997","53","9","1327","1329","10.1107/S0108270197005878","","","0.7107","MolybdenumKα","","0.043","0.042","","0.049","0.048","","","","","1.21","1.21","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006514","6.231","0.001","9.447","0.001","9.394","0.001","90","","92.32","0.01","90","","552.52","0.12","205","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(trichlorosilyl)ethane","1,1,1,4,4,4-Hexachloro-1,4-disilabutane","","- C2 H4 Cl6 Si2 -","- C2 H4 Cl6 Si2 -","- C4 H8 Cl12 Si4 -","2","0.5","LN1006","Mitzel, Norbert W.; Riede, Jürgen; Schmidbaur, Hubert","1,1,1,4,4,4-Hexachloro-1,4-disilabutane","Acta Crystallographica Section C","1997","53","9","1335","1337","10.1107/S0108270197005866","","","0.71069","MoKα","","0.0232","0.019","","0.0619","0.05","","","","1.12","1.145","1.145","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006515","7.802","0.002","13.221","0.003","7.142","0.001","90","","91.24","0.03","90","","736.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dimethylammonium trichloropalladate","","- C2 H8 Cl3 N Pd -","- C2 H8 Cl3 N Pd -","- C8 H32 Cl12 N4 Pd4 -","4","0.5","MU1264","Eric S. Raper; Maria Kubiak; Tadeusz Głowiak","Dimethylammonium Trichloropalladate","Acta Crystallographica Section C","1997","53","9","1201","1204","10.1107/S010827019700379X","","","0.71069","MoKα","","0.0336","0.0267","","0.0673","0.0652","","","","1.192","1.257","1.257","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006516","5.751","0.002","7.718","0.003","12.469","0.004","90","","102.76","0.03","90","","539.8","0.3","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","calcium D-3-phoshoglycerate tetrahydrate","","- C3 H13 Ca O11 P -","- C3 H13 Ca O11 P -","- C6 H26 Ca2 O22 P2 -","2","1","MU1266","Jerzykiewicz, Lucjan B.; Lis, T.","Calcium <small>D</small>-3-Phosphoglycerate Tetrahydrate at 85K","Acta Crystallographica Section C","1997","53","9","1249","1251","10.1107/S0108270197005143","","","0.71069","MoKα","","0.0285","0.0227","","0.0567","0.055","","","","1.076","1.078","1.078","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006517","13.339","0.004","5.48","0.002","18.208","0.005","90","","93.73","0.02","90","","1328.1","0.7","292","","292","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(2-Pyridyl)urea","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C48 H56 N24 O8 -","8","1","MU1272","Velichka Velikova; Olyana Angelova; Krassimir Kossev","<i>N</i>-(2-Pyridyl)urea","Acta Crystallographica Section C","1997","53","9","1273","1275","10.1107/S0108270197004782","","","0.71073","MoKα","","0.065","0.039","","0.075","0.053","","","","1.449","1.028","1.028","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006518","5.215","0.001","9.167","0.003","10.597","0.004","74.61","0.03","84.65","0.02","86.42","0.05","485.9","0.3","292","","292","","","","","","","","","5","P -1","-P 1","2","","N-(2-pyridinium)urea perrhenate","","- C6 H8 N3 O5 Re -","- C6 H8 N3 O5 Re -","- C12 H16 N6 O10 Re2 -","2","1","MU1281","Velichka Velikova; Rosica Petrova; Olyana Angelova","<i>N</i>-(2-Pyridinium)urea Perrhenate","Acta Crystallographica Section C","1997","53","9","1230","1232","10.1107/S0108270197004794","","","0.71073","MoKα","","0.051","0.045","","0.115","0.081","","","","1.658","1.18","1.18","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006519","6.422","0.001","10.129","0.003","10.176","0.001","85.6","0.01","72.95","0.01","75.97","0.02","614","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Chloro(N-pyrrolidinecarbodithioato-S,S')dimethyltin(IV)","","- C7 H14 Cl N S2 Sn -","- C7 H14 Cl N S2 Sn -","- C14 H28 Cl2 N2 S4 Sn2 -","2","1","MU1288","Othman, Abdul Hamid; Fun, Hoong-Kun; M. Yamin, Bohari","Chlorodimethyl(<i>N</i>-pyrrolidinecarbodithioato-<i>S</i>,<i>S</i>')tin(IV)","Acta Crystallographica Section C","1997","53","9","1228","1230","10.1107/S0108270197004861","","","0.71073","MoKα","","0.0328","0.0317","","0.085","0.0842","","","","1.152","1.172","1.172","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006520","8.386","0.002","8.149","0.002","17.267","0.004","90","","99.04","0.04","90","","1165.3","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","MU1289","Kožíšek, Jozef; Ingrid Svoboda; Štefan Marchalín; Bernard Decroix","<i>cis</i>-6,10b,11,12-Tetrahydro-12-hydroxypyrrolo[1',2':2,3]pyridazino[6,1-<i>a</i>]isoindol-6-one","Acta Crystallographica Section C","1997","53","9","1362","1363","10.1107/S0108270197004800","","","0.71069","MoKα","","0.0364","0.0325","","0.0898","0.0843","","","","1.045","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006521","9.465","0.002","10.505","0.002","15.797","0.003","70.63","0.03","83.13","0.03","69.87","0.03","1391.2","0.6","293","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 N4 O6 -","- C26 H42 N4 O6 -","- C52 H84 N8 O12 -","2","1","MU1293","Lawrence C. Nathan; Michael E. Silver","A Hydrated Schiff Base Derivative of Bis(acetylacetone)ethylenediimine with 2-Pyridinylethyl Side Chains","Acta Crystallographica Section C","1997","53","9","1351","1354","10.1107/S0108270197005155","","","0.71073","MoKα","","0.1658","0.0666","","0.2253","0.1765","","","","0.984","1.273","1.273","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006522","19.923","0.005","41.216","0.009","10.068","0.003","90","","90","","90","","8267","4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-poly[hexakis(acetonitrile)aluminium tri{[tetrachlorotellurate(IV)]μ-chloro}]-acetonitrile solvate,","","- C14 H21 Al Cl15 N7 Te3 -","- C14 H21.5 Al Cl15 N7 Te3 -","- C112 H172 Al8 Cl120 N56 Te24 -","8","1","MU1301","Favier, F.; Pascal, J. L.; Belin, C.; Tillard-Charbonnel, M.","A New Pentachlorotellurate(IV): <i>catena</i>-Poly[hexakis(acetonitrile)aluminium tris[tetrachlorotellurate(IV)-μ-chloro] acetonitrile]","Acta Crystallographica Section C","1997","53","9","1234","1236","10.1107/S0108270197004824","","","0.7107","MoKα","","0.0379","0.0375","","0.0812","0.0788","","","","1.013","1.013","1.013","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006523","20.239","0.005","10.911","0.002","15.197","0.006","90","","126.58","0.011","90","","2694.9","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Chlorophenyl-2,6-dimethyl phenylsulphone","","- C14 H13 Cl O2 S -","- C14 H13 Cl O2 S -","- C112 H104 Cl8 O16 S8 -","8","1","MU1313","Jeyaraman, Jeyakanthan; Velmurugan, D.","4-Chlorophenyl 2,6-Dimethylphenyl Sulfone","Acta Crystallographica Section C","1997","53","9","1344","1345","10.1107/S0108270197005714","","","0.71069","MoKα","","0.0712","0.0513","","0.1532","0.1371","","","","1.056","1.118","1.118","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006524","8.389","0.001","8.58","0.001","8.934","0.001","90","","93.689","0.002","90","","641.72","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C26 H24 N8 O8 -","2","1","NA1281","Cole, Jacqueline M.; Howard, Judith A. K.; MacBride, J. A. Hugh","3,5-Dinitro-2-{[(<i>R</i>)-({-})-1-phenylethyl]amino}pyridine","Acta Crystallographica Section C","1997","53","9","1331","1334","10.1107/S0108270197005507","","","0.71073","MoKα","","0.0549","0.0449","","0.1276","0.0971","","","","1.169","1.115","1.115","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006525","38.846","0.002","7.434","0.001","7.367","0.001","90","","90","","90","","2127.5","0.4","293","","293","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","bis-(β-phenylethylammonium) tetrachlorocadmate","","- C16 H24 Cd Cl4 N2 -","- C16 H24 Cd Cl4 N2 -","- C64 H96 Cd4 Cl16 N8 -","4","0.5","NA1289","Monika Groh; Spengler, Roland; Burzlaff, Hans; Zouari, Fatma; Ben Salah, Abdelhamid","(C~6~H~5~CH~2~CH~2~NH~3~)~2~[CdCl~4~]","Acta Crystallographica Section C","1997","53","9","1199","1201","10.1107/S0108270197005726","","","0.70926","MoKα~1~","","","","","","0.039","","","","","0.95","0.95","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006526","11.507","0.002","7.399","0.001","15.802","0.002","90","","106.83","0.01","90","","1287.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,4-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H10 F2 N2 S -","- C15 H10 F2 N2 S -","- C60 H40 F8 N8 S4 -","4","1","NA1293","Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario","1-Aryl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole Derivatives","Acta Crystallographica Section C","1997","53","9","1337","1341","10.1107/S0108270197004976","","","0.71073","MoKα","","0.0402","0.0332","","0.0897","0.0878","","","","1.077","1.16","1.16","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006527","7.74","0.002","13.03","0.005","14.694","0.005","83.3","0.03","79.2","0.03","76.72","0.03","1412.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(2,6-dichlorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H10 Cl2 N2 S -","- C15 H10 Cl2 N2 S -","- C60 H40 Cl8 N8 S4 -","4","2","NA1293","Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario","1-Aryl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole Derivatives","Acta Crystallographica Section C","1997","53","9","1337","1341","10.1107/S0108270197004976","","","0.71073","MoKα","","0.0521","0.0381","","0.111","0.1062","","","","1.074","1.216","1.216","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006528","22.093","0.005","7.878","0.001","31.473","0.005","90","","100.28","0.03","90","","5389.9","1.7","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","1-(2-chloro-6-fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H10 Cl F N2 S -","- C15 H10 Cl F N2 S -","- C240 H160 Cl16 F16 N32 S16 -","16","2","NA1293","Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario","1-Aryl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole Derivatives","Acta Crystallographica Section C","1997","53","9","1337","1341","10.1107/S0108270197004976","","","0.71073","MoKα","","0.1274","0.0769","","0.2136","0.1892","","","","0.905","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006529","7.643","0.003","6.509","0.002","24.14","0.001","90","","97.76","0.03","90","","1189.9","0.6","292","","292","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-5-nitro-pyridine : 3-nitro-2-pyridone (1 : 1)","","- C10 H9 N5 O5 -","- C10 H9 N5 O5 -","- C40 H36 N20 O20 -","4","1","NA1296","Velikova, Velichka; Kossev, Krasimir; Angelova, Olyana","1:1 Molecular Complex of 2-Amino-5-nitropyridine and 3-Nitro-2-pyridone","Acta Crystallographica Section C","1997","53","9","1270","1273","10.1107/S0108270197005799","","","0.71073","MoKα","","0.0973","0.0424","","0.138","","0.1043","","","1.023","","","1.132","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006530","7.3706","0.0003","14.3273","0.0007","15.9318","0.0008","90","","90","","90","","1682.41","0.14","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)(4aS,6R,8aS)-4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6H-benzofuro [3a,3,2-ef] [2]benzazepin-6-ol hydrobromide","","- C17 H22 Br N O3 -","- C17 H22 Br N O3 -","- C68 H88 Br4 N4 O12 -","4","1","NA1303","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter","({-})-Galanthaminium Bromide","Acta Crystallographica Section C","1997","53","9","1284","1286","10.1107/S0108270197006240","","","1.54184","CuKα","","0.0299","0.0295","","0.0811","","0.0811","","","1.044","","","1.044","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006531","13.177","0.002","18.645","0.003","21.8","0.003","90","","99.82","0.01","90","","5277.5","1.4","23","","296","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Dipotassium Trieuropium Trihydrogen Hexatitanooctadecatungstodigermanate","","- Eu3 Ge2 H77 K2 O114 Ti6 W18 -","- Eu3 Ge2 K2 O114 Ti6 W18 -","- Eu6 Ge4 K4 O228 Ti12 W36 -","2","0.5","OA1005","Sugeta, Moriyasu; Yamase, Toshihiro","A Tricapped Trigonal Prismatic EuO(H~2~O)~8~ Site in Trihydrogen Tris(octaaquaeuropium) Dipotassium Digermanohexatitanooctadecatungstate(14‒) Tridecahydrate","Acta Crystallographica Section C","1997","53","9","1166","1170","10.1107/S0108270197002941","","","0.7107","MoKα","","","0.066","","","0.057","","","","","2.3","2.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006532","6.979","0.001","15.649","0.002","12.515","0.002","90","","90","","90","","1366.8","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","carbonylchloro(η^5^-cyclopentadienyl)(1-ethoxybutylidene)ruthenium","","- C12 H17 Cl O2 Ru -","- C12 H17 Cl O2 Ru -","- C48 H68 Cl4 O8 Ru4 -","4","1","QB0009","Abboud, Khalil A.; Yin, Jianguo; Jones, William, M.","Carbonylchloro(η^5^-cyclopentadienyl)(1-ethoxybutylidene)ruthenium","Acta Crystallographica Section C","1997","53","9","IUC9700011","","10.1107/S0108270197099459","","","0.71073","MoKα","","0.0365","0.0262","","0.0545","0.0523","","","","1.012","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006533","11.184","0.002","6.433","0.001","13.156","0.004","90","","113.72","0.01","90","","866.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Amino-5-formyl-1,3-dimethyl-2-thiouracil","","- C7 H9 N3 O2 S -","- C7 H9 N3 O2 S -","- C28 H36 N12 O8 S4 -","4","1","QB0011","Pomés Hernández, Ramón; Dago Morales, Angel; Mascarenhas, Yvonne; Moreno Carretero, Miguel; Jimenez Pulido, Sonia; Hueso Ureña, Francisco","6-Amino-5-formyl-1,3-dimethyl-2-thiouracil","Acta Crystallographica Section C","1997","53","9","IUC9700012","","10.1107/S0108270197099447","","","0.71069","MoKα","","0.1098","0.0494","","0.1349","0.1025","","","","1.052","1.071","1.071","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006534","8.4068","0.0004","11.4513","0.0005","14.9166","0.0006","76.375","0.003","81.461","0.003","71.342","0.003","1318.07","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Bis(barium disaccharinate triglyme)","","","- C44 H52 Ba2 N4 O20 S4 -","- C44 H52 Ba2 N4 O20 S4 -","- C44 H52 Ba2 N4 O20 S4 -","1","0.5","SK1065","Näther, Christian; Hauck, Tim; Bock, Hans","Bis(barium disaccharinate triglyme)","Acta Crystallographica Section C","1997","53","9","1244","1246","10.1107/S0108270197003351","","","0.71073","MoKα","","0.0362","0.0301","","0.0745","0.0713","","","","1.061","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006535","6.527","0.001","17.257","0.003","13.99","0.003","90","","93.58","0.03","90","","1572.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Benzoxazolyl)-3-(5-diethylamino-2-furyl)propenenitrile","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","SK1099","Ján Lokaj; Viktor Kettmann; Jarmila Štetinová; Rudolf Kada; Viktor Vrábel","2-(1,3-Benzoxazol-2-yl)-3-(5-diethylamino-2-furyl)propenenitrile","Acta Crystallographica Section C","1997","53","9","1358","1359","10.1107/S0108270197005337","","","0.71073","MoKα","","0.102","0.0629","","0.2109","0.1404","","","","0.901","1.309","1.309","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006536","12.05","0.007","14.901","0.01","8.363","0.007","103.6","0.06","99.13","0.06","74.71","0.05","1400.4","1.8","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C14 H30 Cl4 F3 N4 O7 Ru S -","- C14 H30 Cl4 F3 N4 O7 Ru S -","- C28 H60 Cl8 F6 N8 O14 Ru2 S2 -","2","1","SK1100","Levason, William; Quirk, Jeffrey J.; Reid, Gillian","<i>trans</i>-[RuCl~2~(dmf)~4~]CF~3~SO~3~.CH~2~Cl~2~","Acta Crystallographica Section C","1997","53","9","1224","1226","10.1107/S0108270197005349","","","0.71073","MoKα","","0.064","0.0448","","0.0548","0.0532","","","","2.5","2.787","2.787","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006537","13.5225","0.0008","6.9078","0.0003","17.6194","0.001","90","","102.327","0.005","90","","1607.9","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-Ethyl-2-methylpyridine-(N-salicylideneglycinato)copper(II) Polymer","","- C17 H18 Cu N2 O3 n -","- C17 H18 Cu N2 O3 -","- C68 H72 Cu4 N8 O12 -","4","1","SK1101","Warda, Salam A.","<i>catena</i>-Poly[[(5-ethyl-2-methylpyridine-<i>N</i>)copper(II)]-μ-(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'')]","Acta Crystallographica Section C","1997","53","9","1184","1186","10.1107/S0108270197005350","","","1.54178","CuKα","","0.0394","0.0367","","0.1051","0.1042","","","","1.07","1.091","1.091","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006538","8.985","0.0008","8.985","0.0008","17.1652","0.001","90","","90","","90","","1385.75","0.19","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","(11R-trans)-11-ethylthio-1,2,3,10,11,11a-hexahydro‒5H-pyrrolo[2,1-c][1,4] benzodiazepin-5-one","","- C14 H18 N2 O S -","- C14 H18 N2 O S -","- C56 H72 N8 O4 S4 -","4","1","SK1103","Kubicki, Maciej; Szkaradzińska, Maria B.; Codding, Penelope W.","(11<i>R</i>,11a<i>S</i>-<i>trans</i>)-11-Ethylthio-2,3,5,10,11,11a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]benzodiazepin-5-one","Acta Crystallographica Section C","1997","53","9","1288","1290","10.1107/S0108270197005581","","","1.54178","CuKα","","0.0558","0.0529","","0.1476","0.1443","","","","1.083","1.115","1.115","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006539","6.93","0.0002","15.5478","0.0015","16.5453","0.0013","90","","90","","90","","1782.7","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5S,2'S,3'S)-3-(3'-hydroxy-2'-methyl-7'-octinoyl)-5-phenyl- 4-methyl-2-oxazolidinone","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","SX1016","Carballo, Rosa; Fernández-Suárez, Miryam; Muñoz, Luis; Riguera, Ricardo; Maichle-Mössmer, Cäcilia","Absolute Configuration of an Intermediate in the Asymmetric Synthesis of Natural β-Hydroxy and β-Amino Acids","Acta Crystallographica Section C","1997","53","9","1312","1314","10.1107/S0108270197005957","","","1.5418","CuKα","","0.0361","0.0348","","0.0948","0.093","","","","1.043","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006540","17.977","0.004","11.819","0.007","14.696","0.002","90","","90.775","0.015","90","","3122","2","293","","293","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C30 H30 Cl2 Co N8 O2 -","- C30 H30 Cl2 Co N8 O2 -","- C120 H120 Cl8 Co4 N32 O8 -","4","0.5","TA1062","Cheng, K.-L.; Sheu, S.-C.; Lee, G.-H.; Lin, Y-C.; Wang, Y.; Ho, T.-I.","[6,6'-Bis(benzimidazol-2-yl-<i>N</i>^3^)-2,2'-bipyridine]dichlorocobalt(II)‒Dimethylformamide (1/2)","Acta Crystallographica Section C","1997","53","9","1238","1240","10.1107/S0108270196015387","","","0.71073","MoKα","","0.149","0.149","","0.048","0.048","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006541","10.5","0.005","15.507","0.004","6.804","0.004","90","","90.48","0.05","90","","1107.8","0.9","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Ba2 Cl7 Er -","- Ba2 Cl7 Er -","- Ba8 Cl28 Er4 -","4","1","TA1137","Tsuchiya, S.; Hanaue, Y.; Kimura, E.; Ishizawa, N.","Ba~2~ErCl~7~","Acta Crystallographica Section C","1997","53","9","1180","1181","10.1107/S0108270197004502","","","0.7107","Mo_Kα","","0.047","0.032","","0.03","0.029","","","","1.442","1.527","1.527","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006542","10.597","0.002","21.337","0.002","5.855","0.001","90","","90","","90","","1323.9","0.4","296","","23","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 N2 O11 S -","- C6 H18 N2 O12 S -","- C24 H72 N8 O48 S4 -","4","1","TA1155","Zhang, Hong; Wang, Ximin; Chang, Xienan; Xiao, Weiqiang; Zhang, Kecong; Teo, Boon K.","An Assessment of Ionic and Hydrogen Bonding in the Crystal Structure of (<small>DL</small>-Serine. H^+^)~2~.SO~4~^2{-^}.H~2~O","Acta Crystallographica Section C","1997","53","9","1286","1288","10.1107/S0108270197006951","","","0.7107","MoKα","","","0.034","","","0.032","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006543","11.075","0.001","9.268","0.001","40.17","0.005","90","","94.05","0.01","90","","4112.9","0.8","293","3","293","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine] . [4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzene-sulfonamide] 1:2 complex monohydrate","","- C38 H48 N12 O8 S2 -","- C38 H48 N12 O8 S2 -","- C152 H192 N48 O32 S8 -","4","1","VJ1044","Nicola Sardone; Giampiero Bettinetti; Milena Sorrenti","Trimethoprim–Sulfadimidine 1:2 Molecular Complex Monohydrate","Acta Crystallographica Section C","1997","53","9","1295","1299","10.1107/S0108270197000425","","","1.54184","CuKα","","0.055","0.049","","","0.05","","","","","1.616","1.616","","","","","has coordinates","278324","2022-10-03","14:41:53",""
"2006544","13.087","0.001","9.835","0.001","6.015","0.002","90","","103.33","0.01","90","","753.3","0.3","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Cu4 H6 O10 S -","- Cu4 H6 O10 S -","- Cu16 H24 O40 S4 -","4","1","AB1459","Helliwell, Madeleine; Smith, Joseph V.","Brochantite","Acta Crystallographica Section C","1997","53","10","1369","1371","10.1107/S0108270197006318","","","0.7107","MoKα","","0.1053","0.0416","","0.0492","0.0394","","","","1.467","1.619","1.619","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006545","11.388","0.002","10.171","0.002","11.767","0.005","90","0.03","90","0.03","90","0.01","1362.9","0.7","294","","294","","","","","","","","","4","P b c a","","","","","","- C5 H8 N4 O2 -","- C5 H8 N4 O2 -","- C40 H64 N32 O16 -","8","1","AB1467","Piacenza, Guy; Beguet, Christelle; Wimmer, Eric; Gallo, Roger; Giorgi, Michel","2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione","Acta Crystallographica Section C","1997","53","10","1459","1462","10.1107/S0108270197006495","","","0.71073","MoKα","","0.049","0.039","","","0.052","","","","","1.835","1.835","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006546","8.979","0.002","16.265","0.006","10.342","0.001","90","0.02","99.63","0.02","90","0.02","1489.1","0.7","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O6 -","- C13 H16 N4 O6 -","- C52 H64 N16 O24 -","4","1","AB1467","Piacenza, Guy; Beguet, Christelle; Wimmer, Eric; Gallo, Roger; Giorgi, Michel","2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione","Acta Crystallographica Section C","1997","53","10","1459","1462","10.1107/S0108270197006495","","","0.71073","MoKα","","0.071","0.047","","","0.062","","","","","2.165","2.165","","","","","has coordinates,has Fobs","208377","2020-10-21","18:00:00",""
"2006547","12.479","0.003","27.145","0.008","12.591","0.004","90","","97.4","0.01","90","","4230","2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,11,17,23-tetra(methylthio)-25,26,27,28-tetrapropoxy-calix[4]arene","","- C44 H56 O4 S4 -","- C44 H56 O4 S4 -","- C176 H224 O16 S16 -","4","1","AB1468","Schultz, Thomas M.; Hazell, Rita G.; Larsen, Mogens","The Cone Conformer of a Tetrakis(methylthio)tetrapropoxycalix[4]arene","Acta Crystallographica Section C","1997","53","10","1495","1497","10.1107/S0108270197007725","","","0.71073","MoKα","","","0.057","","","0.067","","","","","1.466","1.466","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006548","11.097","0.005","9.869","0.005","17.325","0.004","90","","104.9","0.02","90","","1833.6","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu{Ni(CN)~4~}(dien)(mea)].2H~2~O","Tetracyanonickelato(II){N-(2-aminoethyl)-1,2-ethanediamine}(2-aminoeth anol)copper(II)-water(1/2)","","- C10 H24 Cu N8 Ni O3 -","- C10 H24 Cu N8 Ni O3 -","- C40 H96 Cu4 N32 Ni4 O12 -","4","1","AB1476","Kurihara, Hiroyuki; Nishikiori, Shin-ichi; Iwamoto, Toschitake","Monodentate Ligation of Tetracyanonickelate(II): (2-Aminoethanol)[<i>N</i>-(2-aminoethyl)-1,2-ethanediamine][tetracyanonickelato(II)]copper(II)‒Water (1/2)","Acta Crystallographica Section C","1997","53","10","1409","1411","10.1107/S010827019700632X","","","0.71069","MoKα","","","0.0433","","","0.1087","","","","","1.102","1.102","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2006549","9.511","0.001","12.754","0.002","10.363","0.001","97.42","0.01","87.45","0.01","106.81","0.01","1193.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 Cl2 Fe2 P2 Pt -","- C56 H50 Cl2 Fe2 P2 Pt -","- C56 H50 Cl2 Fe2 P2 Pt -","1","0.5","AB1485","Otto, Stefanus; Roodt, Andreas","<i>trans</i>-Dichlorobis(ferrocenyldiphenylphosphine-<i>P</i>)platinum(II)‒Benzene (1/2)","Acta Crystallographica Section C","1997","53","10","1414","1416","10.1107/S0108270197008044","","","1.54178","CuKα","","0.044","0.043","","0.112","0.109","","","","1.05","1.036","1.036","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006550","16.488","0.007","18.221","0.003","11.67","0.008","90","","103.76","0.04","90","","3405","3","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-(E)-3-(4-hydroxyphenyl)-N-[4-(3-methyl-2,5-dioxo-1- pyrrolidinyl)butyl]-2-propenamide","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C144 H176 N16 O32 -","8","2","AB1491","Linden, Anthony; Kuehne, Paul; Hesse, Manfred","A Putrescine Triamide from <i>Lilium regale</i>","Acta Crystallographica Section C","1997","53","10","1472","1475","10.1107/S0108270197008457","","","0.71069","MoKα","","0.1559","0.0636","","0.2236","","0.1835","","","1.235","","","1.047","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006551","8.8144","0.0001","9.1481","0.0001","27.8748","0.0003","90","","97.827","0.001","90","","2226.74","0.04","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 O3 -","- C31 H22 O3 -","- C124 H88 O12 -","4","1","BK1278","Muneer, M.; Rath, Nigam P.; George, M. V.","Photoproducts Derived from 9-Substituted Dibenzobarrelenes","Acta Crystallographica Section C","1997","53","10","1475","1478","10.1107/S0108270197006343","","","0.71073","MoKα","","0.084","0.048","","0.128","0.104","","","","1.01","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006552","8.7753","0.0001","9.2567","0.0001","28.1011","0.0002","90","","92.934","0.001","90","","2279.67","0.04","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 O3 -","- C31 H22 O3 -","- C124 H88 O12 -","4","1","BK1278","Muneer, M.; Rath, Nigam P.; George, M. V.","Photoproducts Derived from 9-Substituted Dibenzobarrelenes","Acta Crystallographica Section C","1997","53","10","1475","1478","10.1107/S0108270197006343","","","0.71073","MoKα","","0.068","0.048","","0.118","0.107","","","","1.06","1.12","1.12","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006553","8.537","0.001","15.946","0.005","18.756","0.004","90","","92.53","0.02","90","","2550.8","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-diphenyl[2,6-diacetylpyridinebis(thiosemicarbazone)]tin(IV) chloride","","- C23 H24 Cl N7 S2 Sn -","- C23 H24 Cl N7 S2 Sn -","- C92 H96 Cl4 N28 S8 Sn4 -","4","1","BK1300","Moreno, Patricia C.; Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Sousa, Gerimario F. de; Abras, Anuar","<i>trans</i>-[2,6-Diacetylpyridine bis(thiosemicarbazone)(1‒)]diphenyltin(IV) Chloride","Acta Crystallographica Section C","1997","53","10","1411","1414","10.1107/S0108270197007002","","","0.71073","MoKα","","0.071","0.036","","0.098","0.078","","","","1.109","1.039","1.039","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006554","3.971","0.002","8.904","0.002","31.417","0.002","90","","92.84","0.03","90","","1109.5","0.6","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-dimethoxy-2-naphthoic acid","","","- C13 H12 O4 -","- C13 H13 O4 -","- C52 H52 O16 -","4","1","BK1333","Blackburn, Anthony C.; Gerkin, Roger E.","1,4-Dimethoxy-2-naphthoic Acid","Acta Crystallographica Section C","1997","53","10","1425","1427","10.1107/S0108270197008299","","","0.71073","MoKα","","","0.059","","","","0.053","","","","","","1.58","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006555","12.5744","0.0004","7.4608","0.0002","14.4604","0.0004","90","","90.304","0.001","90","","1356.58","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-cyano-6-(4'-methoxyphenyl)-5-methyl-4-methylthio-2-pyranone","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","1","BM1145","Azim, Abul; Parmar, Virinder S.; Errington, William","3-Cyano-6-(4-methoxyphenyl)-5-methyl-4-methylthio-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1997","53","10","1436","1438","10.1107/S0108270197007336","","","0.71073","MoKα","","0.0635","0.0485","","0.11","0.1004","","","","1.177","1.184","1.184","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006556","29.0856","0.0013","9.7417","0.0004","21.114","0.0009","90","","126.853","0.001","90","","4787.1","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquatetrachlorotris(tetrahydrofuran)thorium(IV). Tetrahydrofuran Solvate.","","- C16 H34 Cl4 O5 Th -","- C16 H34 Cl4 O5 Th -","- C128 H272 Cl32 O40 Th8 -","8","1","BM1151","Spry, Marcus P; Errington, William; Willey, Gerald R","Aquatetrachlorotris(tetrahydrofuran-<i>O</i>)thorium(IV) Tetrahydrofuran Solvate (1/1)","Acta Crystallographica Section C","1997","53","10","1388","1390","10.1107/S0108270197008378","","","0.71073","MoKα","","0.0358","0.0239","","0.0498","0.0461","","","","1.026","1.049","1.049","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006557","4.939","0.002","20.11","0.006","10.003","0.003","90","","98.85","0.02","90","","981.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Author name: bis(aqua)bis(1-methoxy-4-carbomethoxy-1,3-butanedionato-O,O')zinc(II)","","- C14 H22 O12 Zn -","- C14 H22 O12 Zn -","- C28 H44 O24 Zn2 -","2","0.5","BM1165","John Fawcett; Raymond D. W. Kemmitt; David R. Russell; Kuldip Singh","Diaquabis(dimethyl 3-oxopentanedioato-<i>O</i>^1^,<i>O</i>^3^)zinc(II)","Acta Crystallographica Section C","1997","53","10","1422","1424","10.1107/S010827019700838X","","","0.71073","MoKα","","0.055","0.034","","0.092","0.081","","","","1.061","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006558","23.0801","0.0002","5.51742","0.00006","19.5747","0.0002","90","","122.93","0.0004","90","","2092.21","0.04","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis-methylammonium heptamolybdate(VI)","","- C2 H12 Mo7 N2 O22 -","- C2 Mo7 N2 O22 -","- C8 Mo28 N8 O88 -","4","0.5","BR1181","Zavalij, Peter Y.; Whittingham, M. Stanley","The Layered Methylammonium Molybdate (NH~3~CH~3~)~2~[Mo~7~O~22~] from X-ray Powder Data","Acta Crystallographica Section C","1997","53","10","1374","1376","10.1107/S010827019700601X","","","1.54056","CuKα~1~","","","0.038","","","","","","","2.47","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006559","9.507","0.007","11.989","0.007","14.874","0.009","90","","92.31","0.06","90","","1694","1.9","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Br3 Mo N3 S3 -","- C9 H6 Br3 Mo N3 S3 -","- C36 H24 Br12 Mo4 N12 S12 -","4","1","BR1185","James, Michael; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki","<i>trans</i>-Tribromotris(1,3-thiazole-<i>N</i>)molybdenum(III)","Acta Crystallographica Section C","1997","53","10","1391","1393","10.1107/S0108270197007129","","","0.7107","MoKα","","0.049","0.049","","0.061","0.061","","","","2.346","2.346","2.346","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006560","9.127","0.001","10.522","0.001","37.195","0.002","90","","90","","90","","3572","0.6","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tyr-D-Tic","tyrosyl-D-tetrahydroisoquinoline-3-carboxylic acid","","- C19 H23 N2 O5.5 -","- C19 H23 N2 O5.5 -","- C152 H184 N16 O44 -","8","2","BS1028","Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; Christi Moore; Robert Cudney; George, Clifford","Tyrosinium-<small>D</small>-tetrahydroisoquinoline-3-carboxylate 1.5-Hydrate and Tyrosyl-<small>D</small>-tetrahydroisoquinoline-3-carboxamide Hydrate","Acta Crystallographica Section C","1997","53","10","1478","1482","10.1107/S0108270197006975","","","1.54178","CuKα","","0.0529","0.0458","","0.1267","0.1207","","","","1.063","1.083","1.083","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2006561","8.981","0.001","10.597","","9.703","0.001","90","","98.76","0.01","90","","912.68","0.14","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","Tyr-D-Tic-NH2","tyrosyl-D-tetrahydroisoquinoline-3-carboxamide","","- C19 H23 N3 O4 -","- C19 H23 N3 O4 -","- C38 H46 N6 O8 -","2","1","BS1028","Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; Christi Moore; Robert Cudney; George, Clifford","Tyrosinium-<small>D</small>-tetrahydroisoquinoline-3-carboxylate 1.5-Hydrate and Tyrosyl-<small>D</small>-tetrahydroisoquinoline-3-carboxamide Hydrate","Acta Crystallographica Section C","1997","53","10","1478","1482","10.1107/S0108270197006975","","","1.54178","CuKα","","0.0536","0.0484","","0.1408","0.1339","","","","1.044","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006562","11.799","0.002","8.155","0.002","25.063","0.003","90","","91.11","0.01","90","","2411.1","0.8","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H70 N4 O12 -","- C46 H70 N4 O12 -","- C92 H140 N8 O24 -","2","0.5","CF1074","Griesar, Klaus; Haase, Wolfgang; Svoboda, Ingrid; Fuess, Hartmut","A Nitroxide Tetraradical Exhibiting Ferromagnetic Coupling","Acta Crystallographica Section C","1997","53","10","1488","1490","10.1107/S0108270197002461","","","0.71069","MoKα","","0.0655","0.0374","","0.1269","0.104","","","","0.861","0.851","0.851","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006563","9.89","0.003","10.437","0.003","14.79","0.004","90","","97.75","0.02","90","","1512.7","0.8","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans 1-hydroxy-2,6-diphenyl-4-piperidone oxime ?","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","CF1113","Díaz, Eduardo; Barrios, Héctor; Toscano, Rubén A.","Three <i>trans</i>-2,6-Diaryl Derivatives of Oximes of <i>N</i>-Hydroxy-4-piperidone","Acta Crystallographica Section C","1997","53","10","1468","1471","10.1107/S0108270197002953","","","1.54178","CuKα","","0.0712","0.0501","","0.1383","0.128","","","","1.058","1.188","1.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006564","10.169","0.005","14.129","0.008","10.039","0.006","90","","90.67","0.04","90","","1442.3","1.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-1-hydroxy-2,6-bis(1-methyl-2-pyrrolyl)-4-piperidone oxime","","- C15 H20 N4 O2 -","- C15 H20 N4 O2 -","- C60 H80 N16 O8 -","4","1","CF1113","Díaz, Eduardo; Barrios, Héctor; Toscano, Rubén A.","Three <i>trans</i>-2,6-Diaryl Derivatives of Oximes of <i>N</i>-Hydroxy-4-piperidone","Acta Crystallographica Section C","1997","53","10","1468","1471","10.1107/S0108270197002953","","","1.54178","CuKα","","0.0913","0.0898","","0.2585","0.2555","","","","1.106","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006565","9.479","0.003","10.229","0.003","8.625","0.002","108.98","0.02","112.91","0.02","91.69","0.02","716.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans 1-hydroxy-2,6-bis(2-thiophenyl)-4-piperidone oxime","","- C13 H14 N2 O2 S2 -","- C13 H14 N2 O2 S2 -","- C26 H28 N4 O4 S4 -","2","1","CF1113","Díaz, Eduardo; Barrios, Héctor; Toscano, Rubén A.","Three <i>trans</i>-2,6-Diaryl Derivatives of Oximes of <i>N</i>-Hydroxy-4-piperidone","Acta Crystallographica Section C","1997","53","10","1468","1471","10.1107/S0108270197002953","","","1.54178","CuKα","","0.0717","0.0696","","0.1938","0.1909","","","","1.064","1.1","1.1","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006566","7.8937","0.0006","10.808","0.002","19.523","0.002","90","","90","","90","","1665.6","0.4","298","2","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6α,7β-dihydroxyvouacapan-17β-lactone","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","CF1155","Abrahão-Junior, Odonirio; Gambardella, Maria Teresa do P.; Ruggiero, Silvana Guilardi; Sacramento, Tania Marcia; Stefani, Guglielmo Marconi; Pilo-Veloso, Dorila","6α-Hydroxyvouacapan-7β,17β-lactone","Acta Crystallographica Section C","1997","53","10","1508","1510","10.1107/S0108270197006057","","","0.71073","MoKα","","0.2099","0.0565","","0.1795","0.1099","","","","1.169","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006567","12.2981","0.001","12.873","0.003","12.508","0.003","90","","97.358","0.01","90","","1963.9","0.7","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl3 Fe N4 O4 -","- C15 H20 Cl3 Fe N4 O4 -","- C60 H80 Cl12 Fe4 N16 O16 -","4","1","CF1163","Alcock, Nathaniel W.; Rybak-Akimova, Elena V.; Busch, Daryle H.","A <i>cis</i>-Octahedral Dichloro Complex of Fe^III^ with a Tetradentate Dipyridyl‒Diamino Ligand","Acta Crystallographica Section C","1997","53","10","1385","1387","10.1107/S0108270197004459","","","0.71073","MoKα","","0.0748","0.0476","","0.1137","0.1001","","","","1.032","1.062","1.062","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006568","6.681","0.003","9.093","0.001","16.067","0.003","70.89","0.01","75.48","0.03","83.96","0.04","892.5","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","","2-Isobutyl-4-oxo-5,5-dimethyltetrahydropyran","","- C17 H24 N4 O5 -","- C17 H24 N4 O5 -","- C34 H48 N8 O10 -","2","1","CF1165","Lane, Alexandra L.; Rossiter, Karen J.; Sell, Charles S.; Watkin, David J.","The Novel Fragrance 2-Isobutyl-4-oxo-5,5-dimethyltetrahydropyran as its 2,4-Dinitrophenylhydrazone Derivative","Acta Crystallographica Section C","1997","53","10","1444","1445","10.1107/S0108270197008470","","","1.5418","CuKα","","","0.055","","","0.1771","","","","","0.741","0.741","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006569","30.404","0.004","10.276","0.001","18.742","0.003","90","","108.92","0.01","90","","5539.2","1.3","163","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H26 O3 P Rh -","- C34 H26 O3 P Rh -","- C272 H208 O24 P8 Rh8 -","8","2","CF1166","Lamprecht, Delanie; Lamprecht, Gert J.; Botha, J. Mattheus; Umakoshi, Keisuke; Sasaki, Yoichi","Carbonyl(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')(triphenylphosphine-<i>P</i>)rhodium(I)","Acta Crystallographica Section C","1997","53","10","1403","1405","10.1107/S0108270197007439","","","0.71073","MoKα","","","0.035","","","0.043","","","","","2.564","2.564","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006570","9.1496","0.0008","8.5119","0.0006","19.9057","0.0017","90","","98.99","0.002","90","","1531.2","0.2","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(3',4'-Dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enone","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","CF1168","Sharma, Nawal K.; Kumar, Rajesh; Parmar, Virinder S.; Errington, William","1-(3,4-Dimethoxyphenyl)-3-(3-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section C","1997","53","10","1438","1440","10.1107/S0108270197006677","","","0.71073","MoKα","","0.0609","0.0471","","0.1283","0.1149","","","","1.066","1.073","1.073","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006571","9.1163","0.0009","16.05","0.002","8.705","0.0008","90","","99.608","0.002","90","","1255.8","0.2","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-cyano-6-(2'-methoxyphenyl)-4-methylthio-2-pyranone","","- C14 H11 N O3 S -","- C14 H11 N O3 S -","- C56 H44 N4 O12 S4 -","4","1","CF1174","Malhotra, Sanjay; Parmar, Virinder S; Errington, William","3-Cyano-6-(2-methoxyphenyl)-4-methylthio-2<i>H</i>-pyran-2-one","Acta Crystallographica Section C","1997","53","10","1442","1444","10.1107/S0108270197007294","","","0.71073","MoKα","","0.06","0.0438","","0.1232","0.1124","","","","0.992","1.049","1.049","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006572","7.726","0.002","10.22","0.002","15.169","0.003","90","","99.67","0.02","90","","1180.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 I Li O4 -","- C8 H16 I Li O4 -","- C32 H64 I4 Li4 O16 -","4","1","CF1181","Eaborn, Colin; Farook, Adam; Hitchcock, Peter B.; Smith, J. David","<i>catena</i>-Poly[[(1,4-dioxane-<i>O</i>^1^)iodolithium]-μ-(1,4-dioxane-<i>O</i>^1^:<i>O</i>^4^)]","Acta Crystallographica Section C","1997","53","10","1387","1388","10.1107/S0108270197008482","","","0.71073","MoKα","","0.0511","0.0335","","0.0842","0.0757","","","","1.005","1.038","1.038","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006573","8.5946","0.0006","18.775","0.002","9.0289","0.0006","90","","91.58","0.04","90","","1456.4","0.2","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(2-Acetoxy-4-methyoxyphenyl)-2-phenylethanone","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","CF1183","Pati, Hari N.; Parmar, Virinder S.; Errington, William","1-(2-Acetoxy-4-methoxyphenyl)-2-phenylethanone","Acta Crystallographica Section C","1997","53","10","1440","1442","10.1107/S0108270197007567","","","0.71073","MoKα","","0.0524","0.0393","","0.1006","0.0915","","","","1.121","1.142","1.142","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006574","22.01","0.01","9.573","0.003","25.895","0.004","90","","96.37","0.02","90","","5422","3","296.2","","296.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H62 Cs4 Dy2 N6 O33 -","- C28 H62 Cs4 Dy2 N6 O32.5 -","- C112 H248 Cs16 Dy8 N24 O130 -","4","0.5","FG1240","Sakagami, Narumi; Homma, Jun-ichi; Konno, Takumi; Okamoto, Ken-ichi","Tetracaesium Bis(diethylenetriamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''-pentacetato)didysprosate(III) Tridecahydrate","Acta Crystallographica Section C","1997","53","10","1378","1381","10.1107/S0108270197006021","","","0.7107","MoKα","","","0.0329","","","0.0372","","","","","1.262","1.262","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006575","6.9449","0.0005","10.5817","0.0005","17.8569","0.0008","74.196","0.004","78.952","0.004","73.558","0.004","1201.68","0.12","293","","293","","","","","","","","","3","P -1","-P 1","2","","5-Formyl-1,1,8,8-tetrakis(methoxycarbonyl)-(4E,11Z,13E)- cyclopentadeca-4,11,13-triene","","- C24 H32 O9 -","- C24 H32 O9 -","- C48 H64 O18 -","2","1","FG1245","Drouin, Marc; Hall, Dennis G.; Caillé, Alain-Sébastien; Pierre Deslongchamps","Unique <i>trans</i>-<i>syn</i>-<i>cis</i> [6.6.7] Tricycle Derivative from Transannular Diels‒Alder Contraction of a Model 15-Membered <i>trans</i>-<i>cis</i>-<i>cis</i> Macrocyclic Triene","Acta Crystallographica Section C","1997","53","10","1490","1493","10.1107/S0108270197005635","","","1.54184","CopperKα","","0.067","0.046","","0.068","0.061","","","","","1.41","1.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006576","13.549","0.002","15.413","0.002","24.49","0.002","79.073","0.011","75.749","0.009","70.254","0.012","4633.6","1.1","293","2","193","2","","","","","","","","4","P -1","-P 1","2","","rac-1S,2S,7R,10R)-(8Z)-1-p-bromobenzoyl-5,5,13,13-tetrakis(methoxycarbonyl) tricyclo[8.5.0.0^2,7^]pentadec-8-ene.","","- C31.51 H38.52 Br O10.25 -","- C31.506 H38.5197 Br O10.253 -","- C189.036 H231.118 Br6 O61.518 -","6","3","FG1245","Drouin, Marc; Hall, Dennis G.; Caillé, Alain-Sébastien; Pierre Deslongchamps","Unique <i>trans</i>-<i>syn</i>-<i>cis</i> [6.6.7] Tricycle Derivative from Transannular Diels‒Alder Contraction of a Model 15-Membered <i>trans</i>-<i>cis</i>-<i>cis</i> Macrocyclic Triene","Acta Crystallographica Section C","1997","53","10","1490","1493","10.1107/S0108270197005635","","","1.54184","CopperKα","","0.0845","0.0614","","0.1753","0.1568","","","","1.067","1.178","1.178","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006577","9.504","0.003","18.536","0.005","10.305","0.003","90","","112.76","0.02","90","","1674","0.9","295","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[hydridotris(pyrazolyl)borato]-bis[1,1-diphenylhydrazido(2-)]chloromo- lybdenum(VI)","","- C33 H30 B Cl Mo N10 -","- C33 H30 B Cl Mo N10 -","- C66 H60 B2 Cl2 Mo2 N20 -","2","1","FG1296","Carolina Manzur; David Carrillo; Daphne Boys","Chlorobis[1,1'-diphenylhydrazido(2‒)-<i>N</i>^2^][hydridotris(pyrazolyl-<i>N</i>^2^)borato]molybdenum(VI)","Acta Crystallographica Section C","1997","53","10","1401","1403","10.1107/S0108270197007452","","","0.71073","MoKα","","0.037","0.03","","0.075","0.073","","","","1.008","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006578","7.921","0.0009","10.668","0.001","10.728","0.001","90","","94.4","0.01","90","","903.86","0.16","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 Br O4 -","- C20 H25 Br O4 -","- C40 H50 Br2 O8 -","2","1","FG1310","Zukerman-Schpector, J.; Castellano, E.E.; Ceschi, Marco Antonio; Brocksom, Timothy John; Wikaira, Jan L.","Intermediates in the Synthesis of <i>Daphniphyllum</i> Alkaloids. I. A Tetracyclic Oxygen Analogue","Acta Crystallographica Section C","1997","53","10","1482","1483","10.1107/S0108270197005222","","","0.71073","MoKα","","0.092","0.042","","0.117","","0.098","","","1.077","","","1.159","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006579","9.911","0.0015","5.404","0.002","10.0873","0.0013","90","","106.347","0.01","90","","518.4","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(2-deoxy-α-D-erythro-pentopyranosyl)-1-(R),2-(R)-4-methyl-4- triazolidine-3,5-dione","","- C8 H13 N3 O5 -","- C8 H13 N3 O5 -","- C16 H26 N6 O10 -","2","1","FG1326","Meyers, Cal Y.; Hou, Yuqing; Kolb, Vera M.; Robinson, Paul D.","(1<i>R</i>,2<i>R</i>)-4-Methylurazole-α-<small>D</small>-pyranosyl-2-deoxyriboside from Reaction of 4-Methylurazole with 2-Deoxy-<small>D</small>-ribose","Acta Crystallographica Section C","1997","53","10","1502","1505","10.1107/S0108270197007476","","","0.71069","MoKα","","0.0728","0.0383","","0.12","","0.1037","","","1.046","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006580","11.448","0.002","12.098","0.002","19.305","0.003","90","","106.3","0.02","90","","2566.2","0.8","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","10-Iodo-bis(5-iodo-1,3,3-trimethylindoline-2yl)monomethinium Perchlorate","","- C23 H24 Cl I3 N2 O4 -","- C23 H24 Cl I3 N2 O4 -","- C92 H96 Cl4 I12 N8 O16 -","4","1","FG1330","Johannes, Hans-Hermann; Grahn, Walter; Dix, Ina; Jones, Peter G.","5-Iodo-2-[iodo(5-iodo-1,3,3-trimethyl-2-indolinylidene)methyl]-1,3,3-trimethyl-3<i>H</i>-indolium Perchlorate: a Highly Overcrowded Cyanine Dye","Acta Crystallographica Section C","1997","53","10","1432","1434","10.1107/S0108270197007580","","","0.71073","MoKα","","0.037","0.0286","","0.0599","0.0558","","","","1.076","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006581","11.6191","0.0014","12.576","0.002","13.474","0.002","106.666","0.01","100.155","0.008","103.946","0.01","1765.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","N,N'-Di(benzenesulfonyl)sulfamide Dichloromethane Solvate (1/0.5)","","- C12.5 H13 Cl N2 O6 S3 -","- C12.5 H13 Cl N2 O6 S3 -","- C50 H52 Cl4 N8 O24 S12 -","4","2","FG1336","Hiemisch, Oliver; Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXVII. Bis(benzenesulfonamido) Sulfone‒Dichloromethane (1/0.5)","Acta Crystallographica Section C","1997","53","10","1429","1432","10.1107/S010827019700704X","","","0.71073","MoKα","","0.0828","0.0411","","0.0941","0.0833","","","","0.856","0.99","0.99","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006582","24.312","0.005","9.464","0.002","9.454","0.003","90","","90.06","0.02","90","","2175.3","0.9","178","2","178","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Acetamidoadamantane","","- C12 H19 N O -","- C12 H19 N O -","- C96 H152 N8 O8 -","8","1","FG1344","Pröhl, Hans-Heinrich; Blaschette, Armand; Jones, Peter G.","1-Acetamidoadamantane","Acta Crystallographica Section C","1997","53","10","1434","1436","10.1107/S0108270197007610","","","0.71073","MoKα","","0.0595","0.0387","","0.1151","0.0986","","","","1.029","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006583","8.528","0.002","11.565","0.002","11.993","0.003","71.34","0.02","74.77","0.02","79.26","0.02","1074.5","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H30 N4 O12 -","- C18 H30 N4 O12 -","- C36 H60 N8 O24 -","2","1","FR1042","Finnen, Daniel C.; Pinkerton, A. Alan","The Chelating Agent <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>N</i>'''-Triethylenetetraminehexacetic Acid (TTHA)","Acta Crystallographica Section C","1997","53","10","1455","1457","10.1107/S0108270197005969","","","0.71073","MoKα","","0.105","0.043","","","0.049","","","","","1.39","1.39","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006584","7.489","0.001","5.534","0.004","18.722","0.002","90","","91.3","0.03","90","","775.7","0.6","296","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","FR1047","Okabe, Nobuo; Inubushi, Chika","Phenylpyruvic Acid","Acta Crystallographica Section C","1997","53","10","1449","1450","10.1107/S0108270197006525","","","0.71069","MoKα","","","0.057","","","0.07","","","","","2.16","2.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006585","9.134","0.001","12.328","0.001","10.314","0.001","90","","90","","90","","1161.4","0.19","296","","296","","","","","","","","","4","P b c m","-P 2c 2b","57","titanium endo-isodicyclopentadienide trichloride","(η^5^-endo-tricyclo[5.2.1.0^2,6^]deca-2,5-dien-3-yl) trichlorotitanium","","- C10 H11 Cl3 Ti -","- C10 H11 Cl3 Ti -","- C40 H44 Cl12 Ti4 -","4","0.5","FR1048","Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.; Zaegel, Florence; Meunier, Philippe; Gautheron, Bernard","<i>endo</i> and <i>exo</i> Isomers of Isodicyclopentadienyltrichlorotitanium","Acta Crystallographica Section C","1997","53","10","1416","1420","10.1107/S0108270197006781","","","0.7107","MoKα","","","0.038","","","","0.03","","","","","","1.58","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006586","12.4368","0.0008","9.062","0.0001","10.3153","0.0009","90","","90","","90","","1162.56","0.13","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","titanium exo-isodicyclopentadienide trichloride","(η^5^-exo-tricyclo[5.2.1.0^2,6^]deca-2,5-dien-3-yl) trichlorotitanium","","- C10 H11 Cl3 Ti -","- C10 H11 Cl3 Ti -","- C40 H44 Cl12 Ti4 -","4","1","FR1048","Gallucci, Judith C.; Kozmina, Natasha; Paquette, Leo A.; Zaegel, Florence; Meunier, Philippe; Gautheron, Bernard","<i>endo</i> and <i>exo</i> Isomers of Isodicyclopentadienyltrichlorotitanium","Acta Crystallographica Section C","1997","53","10","1416","1420","10.1107/S0108270197006781","","","0.7107","MoKα","","","0.026","","","","0.023","","","","1.7","1.7","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006587","9.029","0.002","15.416","0.003","14.695","0.003","90","","107.8","0.03","90","","1947.5","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetrakis(ethylenediamine)yttrium (2.75)hydrosulfide 0.25Iodine","tetrakis(ethylenediamine)yttrium (2.75)hydrosulfide 0.25Iodine","","- C8 H34.72 I0.28 N8 S2.72 Y -","- C8 H34.722 I0.278 N8 S2.722 Y -","- C32 H138.888 I1.112 N32 S10.888 Y4 -","4","0.5","FR1053","George, Clifford; Purdy, Andrew P.","Tetrakis(ethylenediamine)yttrium(III) Hydrosulfide Iodide","Acta Crystallographica Section C","1997","53","10","1381","1383","10.1107/S010827019700749X","","","0.71073","MoKα","","0.068","0.044","","0.105","0.095","","","","1.055","1.094","1.094","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006588","7.446","0.001","12.1722","0.0006","6.9261","0.0007","90","","108.93","0.01","90","","593.79","0.11","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-aminonicotinic acid","","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","FR1064","Dobson, Allison J.; Gerkin, Roger E.","2-Aminonicotinic Acid","Acta Crystallographica Section C","1997","53","10","1427","1429","10.1107/S0108270197008226","","","0.71073","MoKα","","","0.062","","","","0.057","","","","","","1.74","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006589","7.667","0.001","6.862","0.001","14.608","0.002","90","","90","","90","","768.54","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Coppermolybdate","","- Cu3 Mo2 O9 -","- Cu3 Mo2 O9 -","- Cu12 Mo8 O36 -","4","0.5","JZ1185","Udo Steiner; Werner Reichelt","A Reinvestigation of Cu~3~Mo~2~O~9~, a Compound Containing Copper(II) in Compressed Octahedral Coordination","Acta Crystallographica Section C","1997","53","10","1371","1373","10.1107/S0108270197005751","","","0.71073","MoKα","","0.0316","0.0307","","0.0729","0.0724","","","","1.338","1.344","1.344","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006590","12.079","0.003","12.15","0.003","17.641","0.004","87.02","0.03","78","0.03","60.87","0.03","2208.4","1.2","300","1","300","1","","","","","","","","6","P -1","-P 1","2","","[tetrakis(μ~3~tetrahydrofurfuroxo-O,O')-tetra(ethanol)-tetrachloro- tetra(magnesium(II),manganese(II))] ethanol solvent","","- C29 H63 Cl4 Mg2 Mn2 O12.5 -","- C29 H62.5 Cl4 Mg2 Mn2 O12.5 -","- C58 H125 Cl8 Mg4 Mn4 O25 -","2","1","JZ1203","Jerzykiewicz, Lucjan B.; Utko, Józef; Sobota, Piotr","[(Mg~0.5~,Mn~0.5~)~4~{μ~3~,η^2^-OCH~2~CH(CH~2~)~3~O}~4~(EtOH)~4~Cl~4~].0.5EtOH","Acta Crystallographica Section C","1997","53","10","1393","1396","10.1107/S0108270197007920","","","0.71073","MoKα","","0.057","0.0442","","0.12","0.1112","","","","","1.072","1.072","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006591","10.766","0.002","10.825","0.002","11.857","0.003","71.88","0.02","63.47","0.02","73.18","0.02","1156.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-methyl-11,14,17,20-tetraoxa- 2,4,3-diazaphospha-tricyclo[20,3,1,1^5,9^]-heptacosa- 1(26),5,7,9(27),22,24-hexaene-3-sulfide","","- C21 H31 N2 O5 P S -","- C21 H31 N2 O5 P S -","- C42 H62 N4 O10 P2 S2 -","2","1","JZ1208","Declercq, Jean-Paul; Delangle, Pascale; Dutasta, Jean-Pierre; Van Oostenryck, Luc; Tinant, Bernard","1:1 Molecular Complex Between Water and a Macrocyclic Crown Phosphonamide","Acta Crystallographica Section C","1997","53","10","1484","1486","10.1107/S0108270197006604","","","0.71069","MoKα","","0.0687","0.0502","","0.14","","0.1322","","","1.022","","","1.13","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006592","14.954","0.002","12.157","0.001","9.701","0.001","90","","100.76","0.01","90","","1732.6","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(piperidinium) Tetrachloromercurate","","- C10 H24 Cl4 Hg N2 -","- C10 H24 Cl4 Hg N2 -","- C40 H96 Cl16 Hg4 N8 -","4","1","JZ1222","Spengler, Roland; Zouari, Fatma; Ben Salah, Abdelhamid; Burzlaff, Hans","Bis(piperidinium) Tetrachloromercurate","Acta Crystallographica Section C","1997","53","10","1407","1409","10.1107/S0108270197008512","","","0.70926","MoKα~1~","","0.048","0.039","","0.042","","0.04","","","1.31","","","1.38","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006593","5.932","0.001","15.12","0.005","23.564","0.006","90","","90","","90","","2113.5","1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-(-)-N,N'-bis(quinoline-2-methylene)-1,2-cyclohexyldiimine","","- C26 H24 N4 -","- C26 H24 N4 -","- C104 H96 N16 -","4","1","KA1231","Adnan S. Abu-Surrah; Timo V. Laine; Timo Repo; Riad Fawzi; Manfred Steimann; Bernhard Rieger","An Enantiomerically Pure Schiff Base Ligand","Acta Crystallographica Section C","1997","53","10","1458","1459","10.1107/S0108270197006148","","","0.71073","MoKα","","0.045","0.0318","","0.0715","0.0677","","","","1.373","1.486","1.486","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006594","10.834","0.001","9.75","0.001","12.381","0.001","90","","99","0.01","90","","1291.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(salicylato)bis(nicotinamide)copper(II)","","- C26 H22 Cu N4 O8 -","- C26 H22 Cu N4 O8 -","- C52 H44 Cu2 N8 O16 -","2","0.5","KA1233","Leban, Ivan; Kozlevčar, Bojan; Sieler, Joachim; Šegedin, Primož","Bis(nicotinamide-<i>N</i>)bis(salicylato-<i>O</i>,<i>O</i>')copper(II), the Monoclinic Form","Acta Crystallographica Section C","1997","53","10","1420","1422","10.1107/S010827019700615X","","","0.71073","MoKα","","0.046","0.0365","","0.0811","0.0757","","","","1.088","1.106","1.106","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006595","7.8931","0.0002","11.9354","0.0003","18.0705","0.0004","90","","90","","90","","1702.37","0.07","133","","133","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[3-Nitro-phenyl]-[1,3]dioxolane","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C72 H72 N8 O32 -","8","1","KA1235","Bolte, Michael; Marx, Raimund; Scholtyssik, Maria","2-(3-Nitrophenyl)-1,3-dioxolane at 150K","Acta Crystallographica Section C","1997","53","10","1464","1466","10.1107/S0108270197007166","","","0.71073","MoKα","","0.0316","0.0286","","0.08","0.0785","","","","1.056","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006596","11.991","0.002","13.951","0.004","14.923","0.004","96.02","0.02","94.49","0.02","98.42","0.02","2444.7","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H49 Cl N6 O7 P2 Ru -","- C57 H43 Cl N6 O7 P2 Ru -","- C114 H86 Cl2 N12 O14 P4 Ru2 -","2","1","KH1147","Lim, Jong Wan; Yeo, Hwan Jin; Jeong, Jong Hwa","<i>trans</i>-[Bis-2,6-(2-benzimidazolyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]nitrobis(triphenylphosphine-<i>P</i>)ruthenium(II) Perchlorate Ethanol Solvate","Acta Crystallographica Section C","1997","53","10","1405","1407","10.1107/S0108270197006082","","","0.71073","MoKα","","0.0705","0.0661","","0.1639","0.159","","","","1.069","1.073","1.073","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006597","10.078","0.001","13.7748","0.0009","24.167","0.003","92.048","0.008","90.67","0.01","100.186","0.009","3299.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Acetatobis(triphenylphosphine)silver(I)","","- C38 H33 Ag O2 P2 -","- C38 H33 Ag O2 P2 -","- C152 H132 Ag4 O8 P8 -","4","2","KH1148","Ng, Seik Weng; Othman, A. Hamid","Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate","Acta Crystallographica Section C","1997","53","10","1396","1400","10.1107/S0108270197006690","","","0.71073","MoKα","","0.0478","0.0378","","0.1009","0.0937","","","","1.071","1.099","1.099","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006598","44.318","0.006","13.2622","0.0008","25.06","0.003","90","","105.492","0.005","90","","14194","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Acetatobis(triphenylphosphine)silver(I) sesquihydrate","","- C38 H36 Ag O3.5 P2 -","- C38 H36 Ag O3.5 P2 -","- C608 H576 Ag16 O56 P32 -","16","2","KH1148","Ng, Seik Weng; Othman, A. Hamid","Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate","Acta Crystallographica Section C","1997","53","10","1396","1400","10.1107/S0108270197006690","","","0.71073","MoKα","","0.0822","0.0482","","0.1348","0.1162","","","","1.059","1.118","1.118","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006599","15.85","0.001","12.4271","0.0006","19.935","0.002","90","","103.96","0.004","90","","3810.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetatotriphenylphosphinesilver(I)] hydrate","","- C40 H38 Ag2 O5 P2 -","- C40 H38 Ag2 O5 P2 -","- C160 H152 Ag8 O20 P8 -","4","1","KH1148","Ng, Seik Weng; Othman, A. Hamid","Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate","Acta Crystallographica Section C","1997","53","10","1396","1400","10.1107/S0108270197006690","","","0.71073","MoKα","","0.0551","0.0449","","0.1178","0.1107","","","","1.138","1.18","1.18","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006600","12.1443","0.0006","19.2794","0.0008","15.8815","0.0009","90","","90","","90","","3718.4","0.3","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis[acetatotriphenylphosphinesilver(I)] hemihydrate","","- C40 H37 Ag2 O4.5 P2 -","- C40 H37 Ag2 O4.5 P2 -","- C160 H148 Ag8 O18 P8 -","4","1","KH1148","Ng, Seik Weng; Othman, A. Hamid","Silver Acetate‒Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate","Acta Crystallographica Section C","1997","53","10","1396","1400","10.1107/S0108270197006690","","","0.71073","MoKα","","0.0418","0.033","","0.08","0.0755","","","","1.048","1.065","1.065","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006601","5.2894","0.0005","8.6106","0.0008","9.1884","0.0009","101.801","0.007","97.055","0.009","96.293","0.008","402.61","0.07","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Bis-4,4'pyridiniumdiazomethane diperchlorate","","- C12 H12 Cl2 N4 O8 -","- C12 H12 Cl2 N4 O8 -","- C12 H12 Cl2 N4 O8 -","1","0.5","KH1150","Chen, Wei; Liu, Cai-ming; Li, Da-guang; You, Xiao-zeng","4,4'-Azinodimethyldipyridinium Diperchlorate, C~12~H~12~N~4~^2+^.2ClO~4~^{-^}","Acta Crystallographica Section C","1997","53","10","1499","1501","10.1107/S0108270197005970","","","0.71073","MoKα","","0.0584","0.0411","","0.1099","0.1024","","","","1.019","1.107","1.107","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2006602","6.193","0.001","9.077","0.001","15.882","0.0002","90.69","0.01","96.39","0.01","101.75","0.01","868.1","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(3-chlorophenyl)phosphine oxide.","","- C18 H12 Cl3 O P -","- C18 H12 Cl3 O P -","- C36 H24 Cl6 O2 P2 -","2","1","MU1324","Shawkataly, Omar bin; Ramalingam, Kuppukkannu; Selvakumar, Suppramanian; Fun, Hoong-Kun; Ibrahim, Abdul Razak","Tris(3-chlorophenyl)phosphine Oxide","Acta Crystallographica Section C","1997","53","10","1451","1452","10.1107/S0108270197006045","","","0.71073","MoKα","","0.0958","0.0612","","0.1746","0.159","","","","0.908","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006603","7.957","0.001","10.677","0.001","14.909","0.002","90","","100.51","0.01","90","","1245.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","MU1325","Hoong-Kun Fun; Zhong-Lin Lu; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Yu-Mei Guo; Xiao-Yang Gong","<i>p</i>-Nitrobenzaldehyde Isonicotinoylhydrazone","Acta Crystallographica Section C","1997","53","10","1452","1454","10.1107/S0108270197008135","","","0.71073","MoKα","","0.0719","0.0407","","0.1135","0.1034","","","","0.903","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006604","13.531","0.001","11.766","0.001","10.272","0.003","90","","106.71","0.01","90","","1566.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N3 O2 -","- C16 H19 N3 O2 -","- C64 H76 N12 O8 -","4","1","MU1326","Hoong-Kun Fun; Zhong-Lin Lu; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Xiao-Yang Gong; Yu-Mei Guo","<i>p</i>-(Dimethylamino)benzaldehyde Benzoylhydrazone Monohydrate","Acta Crystallographica Section C","1997","53","10","1454","1455","10.1107/S0108270197008147","","","0.71073","MoKα","","0.1472","0.0456","","0.1258","0.0973","","","","0.788","1.092","1.092","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006605","9.035","0.001","12.501","0.001","6.9634","0.0005","96.62","0.01","102.08","0.01","73.56","0.01","736.31","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran","","- C13 H14 Cl O6 P -","- C13 H14 Cl O8 P -","- C26 H28 Cl2 O16 P2 -","2","1","NA1207","Olszak, Tomasz A.; Grabowski, Mieczysław J.; Stępień, Andrzej; Modranka, R.; Kostka, K.","2H-1-Benzopyrans. 4-Chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran, (I) and 4-Chloro-2-dimethoxyphosphoryl-2H-1-benzopyran, (II)","Acta Crystallographica Section C","1997","53","","1514","1516","10.1107/S010827019700735X","","","1.54178","CuKα","","0.0444","0.0328","","0.0931","0.0901","","","","1.038","1.195","1.195","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006606","7.8864","0.0005","11.3138","0.001","7.2675","0.0006","108.444","0.007","92.736","0.007","82.8","0.007","610.26","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-chloro-2-dimethoxyphosphoryl-2H-1-benzopyran","","- C11 H12 Cl O4 P -","- C11 H12 Cl O4 P -","- C22 H24 Cl2 O8 P2 -","2","1","NA1207","Olszak, Tomasz A.; Grabowski, Mieczysław J.; Stępień, Andrzej; Modranka, R.; Kostka, K.","2H-1-Benzopyrans. 4-Chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran, (I) and 4-Chloro-2-dimethoxyphosphoryl-2H-1-benzopyran, (II)","Acta Crystallographica Section C","1997","53","","1514","1516","10.1107/S010827019700735X","","","1.54178","CuKα","","0.0469","0.0325","","0.091","0.0881","","","","0.966","1.082","1.082","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006607","16.657","0.001","7.351","0.002","18.4","0.002","90","","108.3","0.01","90","","2139.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(2-phenylethyl)-3,3,6,6 tetramethyl-3,4,6,7,910-hexahydro-1,8(2H,5H) acridine dione","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C100 H124 N4 O8 -","4","1","NA1284","K. Gunasekaran; D. Velmurugan; P. Murugan","3,3,6,6-Tetramethyl-9-(2-phenylethyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione","Acta Crystallographica Section C","1997","53","10","1512","1514","10.1107/S0108270197006987","","","0.71073","MoKα","","0.0583","0.0515","","0.1604","0.1386","","","","1.066","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006608","10.497","0.002","13.332","0.003","19.369","0.004","90","","90","","90","","2710.6","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S)-(+)-Dicarbonyl[h5-(2,6,6-trimethyl-cyclohepta-2,4-diene-1-on)] triphenylphosphan-iron","","- C30 H29 Fe O3 P -","- C30 H29 Fe O3 P -","- C120 H116 Fe4 O12 P4 -","4","1","NA1298","Petrowitsch, Tanja; Grosser, Rolf; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","(2<i>S</i>)-(+)-Dicarbonyl(η^4^-2,6,6-trimethylcyclohepta-2,4-dienone)(triphenylphosphine-<i>P</i>)iron","Acta Crystallographica Section C","1997","53","10","1383","1384","10.1107/S010827019700718X","","","0.71069","MoKα","","0.087","0.034","","0.05","0.044","","","","0.825","0.952","0.952","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006609","7.642","0.004","19.928","0.008","8.388","0.004","90","","113.23","0.02","90","","1173.8","1","291","1","291","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dimethyl 2-iodobenzoylphosphonate","2-iodobenzoylphosphonic acid dimethyl ester","","- C9 H10 I O4 P -","- C9 H10 I O4 P -","- C36 H40 I4 O16 P4 -","4","1","NA1305","Griffiths, D. Vaughan; Harris, Jayne E.; Miller, John R.","Dimethyl 2-Iodobenzoylphosphonate, an Unusual Example of a Crystalline α-Ketophosphonate","Acta Crystallographica Section C","1997","53","10","1462","1464","10.1107/S0108270197006252","","","0.71073","MoKα","","0.0424","0.0335","","0.0966","0.0906","","","","1.147","1.173","1.173","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006610","9.097","0.002","13.94","0.002","8.933","0.003","98.89","0.02","114.81","0.02","83.16","0.02","1014","0.5","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H26 K N2 O15 Yb -","- C10 H26 K N2 O15 Yb -","- C20 H52 K2 N4 O30 Yb2 -","2","1","OA1022","Sakagami, Narumi; Homma, Jun-ichi; Konno, Takumi; Okamoto, Ken-ichi","Potassium Diaqua(ethylenediaminetetraacetato)ytterbate(III) Pentahydrate","Acta Crystallographica Section C","1997","53","10","1376","1378","10.1107/S0108270197006094","","","0.7107","MoKα","","","0.0262","","","0.038","","","","","1.007","1.007","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006611","14.531","0.004","15.867","0.005","13.481","0.004","90","","90","","90","","3108.2","1.6","293.2","","293.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 I N2 O -","- C14 H21 I N2 O -","- C112 H168 I8 N16 O8 -","8","1","OA1026","Mikata, Yuji","Out-of-Plane Orientation of the Carbamoyl Group in an NAD Model Compound: Preferred 1,3-Diaxial Methyl Configuration","Acta Crystallographica Section C","1997","53","10","1486","1488","10.1107/S0108270197006926","","","0.7107","MoKα","","0.129","0.051","","0.096","0.071","","","","0.988","1","1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006612","9.974","0.0002","6.752","0.0001","12.4097","0.0002","90","","110.34","0.001","90","","783.61","0.02","133","","133","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,5-dimethyl-1,3-cyclohexanedione","","- C8 H12 O2 -","- C8 H12 O2 -","- C32 H48 O8 -","4","1","QA0018","Bolte, Michael; Scholtyssik, Maria","Dimedone at 133K","Acta Crystallographica Section C","1997","53","10","IUC9700013","","10.1107/S0108270197099423","","","0.71073","MoKα","","0.0402","0.0335","","0.091","0.0872","","","","1.066","1.107","1.107","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006613","9.489","0.001","12.728","0.002","21.415","0.002","90","","90","","90","","2586.4","0.5","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Ethyl-3-(4-methyl-benzolsulfonyl)-2-(4-hydroxy-5- ((1'-hydroxy)-propyl)-2-phenyl-cyclohex-2-ene)-1,3-oxazolidine","","- C27 H35 N O5 S -","- C27 H35 N O5 S -","- C108 H140 N4 O20 S4 -","4","1","QA0020","Bolte, Michael; Monz, Sabine","4-Ethyl-2-[4-hydroxy-5-(1-hydroxypropyl)-2-phenyl-2-cyclohexenyl]-3-tosyl-1,3-oxazolidine","Acta Crystallographica Section C","1997","53","10","IUC9700014","","10.1107/S0108270197099411","","","1.5418","CuKα","","0.046","0.045","","0.1188","0.1169","","","","1.07","1.068","1.068","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006614","5.7263","0.001","6.5517","0.0012","8.8001","0.0007","92.647","0.011","95.889","0.01","105.474","0.014","315.57","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Ethylene diammonium monohydrogenmaleate","","","- C10 H16 N2 O8 -","- C10 H16 N2 O8 -","- C10 H16 N2 O8 -","1","0.5","QB0015","Barnes, John C.; Weakley, Timothy J.R.","Hydrogen Bond Network in Ethylenediammonium Bis(hydrogenmaleate)","Acta Crystallographica Section C","1997","53","10","IUC9700018","","10.1107/S0108270197099381","","","0.71069","MoKα","","0.0355","0.0323","","","","0.1025","","","","","","1.124","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006615","25.4066","0.0003","20.9992","0.0001","15.2026","0.0002","90","","109.024","0.001","90","","7667.87","0.15","133","","133","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Bis-(2,4,6-Triphenyl-pyrimidin-5-yl)-urea","","- C48 H38 N6 O2 -","- C48 H38 N6 O2 -","- C384 H304 N48 O16 -","8","1","QB0016","Bolte, Michael","1,3-Bis(2,4,6-triphenylpyrimidin-5-yl)urea‒Acetone (1/1) at 133K","Acta Crystallographica Section C","1997","53","10","IUC9700015","","10.1107/S010827019709940X","","","0.71073","MoKα","","0.0504","0.0397","","0.1036","0.0954","","","","1.046","1.057","1.057","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006616","31.441","0.005","8.3824","0.0011","15.409","0.002","90","","102.09","0.012","90","","3971","1","288","2","288","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(N,N-dimethyl-2-pyridin-1H-iumamine) Tetrachlorocobaltate(II)","","- C14 H22 Cl4 Co N4 -","- C14 H22 Cl4 Co N4 -","- C112 H176 Cl32 Co8 N32 -","8","1","QB0019","Land, John M.; Baughman, Russell G.; Hester, Colin A.","Bis[2-(dimethylamino)pyridinium] Tetrachlorocobaltate(II)","Acta Crystallographica Section C","1997","53","10","IUC9700016","","10.1107/S0108270197099435","","","0.71073","MoKα","","0.066","0.04","","0.096","0.083","","","","1.045","1.095","1.095","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006617","22.874","0.006","5.101","0.001","18.261","0.004","90","","122.87","0.01","90","","1789.6","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","(S,S)-2-methyl-4-phenyl-N-[(methoxycarbonyl)phenylmethyl]butanamide","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","QB0020","Yoshinobu Inouye; Tetsuya Yabuuti; Takenori Kusumi","Conformation of (<i>S</i>,<i>S</i>)-Methyl (2-Methyl-4-phenylbutanamido)(phenyl)acetate","Acta Crystallographica Section C","1997","53","10","IUC9700017","","10.1107/S0108270197099393","","","0.71073","MoKα","","0.0981","0.0466","","0.133","0.1107","","","","1.043","1.092","1.092","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006618","8.493","0.001","11.253","0.002","11.368","0.002","90","","108.46","0.02","90","","1030.6","0.3","153","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H33 N O3 -","- C22 H33 N O3 -","- C44 H66 N2 O6 -","2","1","SK1038","Ertan, Mevlût; Yeşi̇lada, Akgül; Tozkoparan, Birsen; Tarimci, Çeli̇k; Krebs, Bernt; Läge, Mechtild","(1<i>R</i>,2<i>S</i>,4<i>S</i>,11<i>S</i>)-4-Isopropyl-1-methyl-2-(α-<i>N</i>-morpholino-3-methoxybenzyl)cyclohexan-3-one","Acta Crystallographica Section C","1997","53","10","1466","1468","10.1107/S0108270197005064","","","0.71073","MoKα","","0.0367","0.0305","","0.0704","0.0686","","","","","0.943","0.943","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006619","8.962","0.003","9.651","0.004","10.009","0.004","68.45","0.03","71.46","0.03","81.52","0.03","762.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 9-Methyl-11-thioxo-8-oxa-12-acetyl-10,12-diazatricyclo[7.3.1.0^2,7^] trideca-2,4,6-triene-13-carboxylate","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C30 H32 N4 O8 S2 -","2","1","SK1098","Kettmann, Viktor; Svetlík, Ján","Methyl 12-Acetyl-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2,4,6-triene-13-carboxylate","Acta Crystallographica Section C","1997","53","10","1493","1495","10.1107/S010827019700557X","","","0.71073","MoKα","","0.0713","0.0505","","0.1453","0.1133","","","","1.041","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006620","13.891","0.002","15.426","0.003","11.014","0.002","102.81","0.02","104.94","0.02","102.71","0.02","2125.2","0.8","291","","291","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 F6 N2 O7 -","- C48 H34 F6 N2 O7 -","- C96 H68 F12 N4 O14 -","2","1","SX1009","Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.","A <i>trans</i>-1,2-Diarylhexafluorocyclobutane","Acta Crystallographica Section C","1997","53","10","1445","1447","10.1107/S0108270197003764","","","0.71073","MoKα","","0","0.054","","","0.078","","","","","1.469","1.469","","","","","has coordinates","208360","2020-10-21","18:00:00",""
"2006621","22.212","0.005","11.646","0.004","19.681","0.004","90","","90","","90","","5091","2","291","","291","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28.5 H35.5 Cl1.5 N O -","- C28.518 H35 Cl1.554 N O -","- C228.144 H280 Cl12.432 N8 O8 -","8","1","SX1011","Swenson, Dale C.; TePaske, Mark R.; Baenziger, Norman C.; Gloer, James B.","Tubingensin B, a Cytotoxic Carbazole Alkaloid from the Sclerotia of <i>Aspergillus tubingensis</i>","Acta Crystallographica Section C","1997","53","10","1447","1449","10.1107/S0108270197003776","","","0.71073","MoKα","","0.0496","0.0403","","0.1116","0.1023","","","","1.166","1.144","1.144","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006622","11.871","0.001","21.586","0.002","8.484","0.001","90","0.01","102.58","0.01","90","0.01","2121.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 N4 O7 Si -","- C18 H28 N4 O7 Si -","- C72 H112 N16 O28 Si4 -","4","1","SX1022","White, Jonathan M.; Tham, Wai-Ying","9a-Trimethylsilyloctahydroquinolizinium Picrate","Acta Crystallographica Section C","1997","53","10","1471","1472","10.1107/S0108270197006100","","","0.71069","MoKα","","0.0587","0.05","","0.1392","0.1331","","","","1.034","1.089","1.089","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006623","6.5362","0.0006","12.4737","0.0012","32.056","0.003","90","","90","","90","","2613.5","0.4","122","1","122","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","quininium (S)-mandelate","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C112 H128 N8 O20 -","4","1","SX1027","Gjerløv, Anne B.; Larsen, Sine","Quininium (<i>S</i>)-Mandelate","Acta Crystallographica Section C","1997","53","10","1505","1508","10.1107/S0108270197006112","","","1.54184","CuKα","","0.0291","0.027","","0.0708","0.07","","","","1.059","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006624","9.006","0.002","6.6905","0.0013","10.963","0.002","90","","97.415","0.014","90","","655","0.2","158","","158","","","","","","","","","3","P 1 21 1","P 2yb","4","Aloperine","(6R,7R,9R,11S)‒16,17-Didehydro‒9‒de‒2‒piperidinylormosanine","","- C15 H24 N2 -","- C15 H24 N2 -","- C30 H48 N4 -","2","1","SX1032","Brosius, Arthur D.; Ziller, Joseph W.; Zhang, Qiming","Relative and Absolute Configuration of Aloperine","Acta Crystallographica Section C","1997","53","10","1510","1512","10.1107/S0108270197009244","","","0.71073","MoKα","","0.055","0.0383","","0.1015","0.0931","","","","1.076","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006625","9.6442","0.0012","11.2487","0.0012","15.097","0.002","90","","90","","90","","1637.8","0.3","158","","158","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Aloperine dihydrochloride monohydrate","(6R,7R,9R,11S)‒16,17-Didehydro‒9‒de‒2‒piperidinylormosanine dihydrochloride monohydrate","","- C15 H28 Cl2 N2 O -","- C15 H28 Cl2 N2 O -","- C60 H112 Cl8 N8 O4 -","4","1","SX1032","Brosius, Arthur D.; Ziller, Joseph W.; Zhang, Qiming","Relative and Absolute Configuration of Aloperine","Acta Crystallographica Section C","1997","53","10","1510","1512","10.1107/S0108270197009244","","","0.71073","MoKα","","0.0371","0.0295","","0.0727","0.0693","","","","1.04","1.052","1.052","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006626","6.536","0.004","15.626","0.003","10.029","0.002","90","","90","","90","","1024.3","0.7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","calcium yttrium silicate","tricalcium diyitrium trisilicon oxide","","- Ca3 O12 Si3 Y2 -","- Ca2.998 O12 Si3 Y1.998 -","- Ca11.992 O48 Si12 Y7.992 -","4","0.5","TA1145","Yamane, Hisanori; Nagasawa, Toru; Shimada, Masahiko; Endo, Tadashi","Ca~3~Y~2~(SiO~4~)~3~","Acta Crystallographica Section C","1997","53","10","1367","1369","10.1107/S0108270197005593","","","0.71069","MoKα","","0.0367","0.0347","","0.0998","0.098","","","","1.038","1.053","1.053","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006627","7.377","0.001","18.664","0.003","9.897","0.002","90","","95.314","0.008","90","","1356.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(1α,2β,3α,6α,7β,8α,9β,13β)-9,13-dibromo-11-methyl-11-aza- 14,15-dioxa-11-pentacyclo [6.5.1.1^3,6^.0^2,7^.0^9,13^] pentadec-4-en-10,12-dione","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","TA1163","Warrener, Ronald N.; Maksimovic, L.; Kennard, Colin H. L.","(1α,2β,3α,6α,7β,8α,9β,13β)-9,13-Dibromo-11-methyl-14,15-dioxa-11-azapentacyclo[6.5.1.1^3,6^.0^2,7^.0^9,13^]pentadec-4-ene-10,12-dione","Acta Crystallographica Section C","1997","53","10","1501","1502","10.1107/S0108270197006616","","","0.71073","MoKα","","0.116","0.047","","0.139","0.11","","","","1.025","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006628","9.411","0.001","10.427","0.002","7.93","0.002","104.99","0.01","103.74","0.01","92.72","0.01","725.2","0.2","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","(3aα,10aα)11,11 Dibromo-6-methoxy-2,3,9,10-tetrahydro-1H,4H-3a,10a- methano[f]azulene'","","- C16 H16 Br2 O2 -","- C16 H16 Br2 O2 -","- C32 H32 Br4 O4 -","2","1","TA1166","Mackay, Maureen F.; Banwell, Martin G.; Phyland, James R.","A Benzannulated [5.3.1] Propellanone Related to the <i>ABC</i> Ring System of Taxol^TM^","Acta Crystallographica Section C","1997","53","10","1497","1499","10.1107/S0108270197007531","","","1.5418","CuKα","","0.0458","0.044","","0.137","0.1327","","","","1.081","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006629","6.474","0.001","11.393","0.001","11.862","0.003","66.16","0.02","89.2","0.04","84.92","0.02","796.9","0.3","295","1","295","1","","","","","","","","3","P -1","-P 1","2","cyclohexene-keto acid","4-(1-Hydroxy-1-phenylmethylene)-3-oxo-5-phenyl-5-cyclohexene carboxylic acid","","- C20 H16 O4 -","- C20 H16 O4 -","- C40 H32 O8 -","2","1","AB1478","Mrvoš-Sermek, Draginja; Tralić-Kulenović, Vesna; Lazarević, Zvjezdana","4-[Hydroxy(phenyl)methylene]-5-oxo-3-phenyl-2-cyclohexenecarboxylic Acid","Acta Crystallographica Section C","1997","53","11","1709","1711","10.1107/S0108270197005465","","","0.71073","MoKα","","0.1827","0.0479","","0.1434","0.0997","","","","0.925","1.105","1.105","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006630","7.567","0.011","9.297","0.013","12.281","0.014","72","0.08","80.21","0.08","81.04","0.08","804.8","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Ni(cdsalen)","methyl 2-{N-[2-(2-hydroyphenyl)methylidynenitrilo]ethyl}amino- 1-cyclopentenedithiocarboxilate of nickel(II)","","- C16 H18 N2 Ni O S2 -","- C16 H18 N2 Ni O S2 -","- C32 H36 N4 Ni2 O2 S4 -","2","1","AB1482","de Castro, Baltazar; Pereira, Eulalia; Gomes, Ligia","A Nickel Complex with an Asymmetric N~2~OS Schiff Base Ligand","Acta Crystallographica Section C","1997","53","11","1572","1574","10.1107/S0108270197009219","","","0.71069","MoKα","","0.132","0.0576","","0.2162","0.1415","","","","1.091","1.111","1.111","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006631","8.7507","0.0016","12.5722","0.0013","12.927","0.002","71.248","0.011","70.267","0.014","86.458","0.012","1265.9","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O3 Pd -","- C30 H22 N2 O3 Pd -","- C60 H44 N4 O6 Pd2 -","2","1","AV1007","Kooijman, Huub; Spek, Anthony L.; van Belzen, Ruud; Elsevier, Cornelis J.","{1,2-Bis[<i>N</i>-(4-methylphenyl)imino-<i>N</i>]acenaph-thene}(η^2^-maleic anhydride)palladium(0)","Acta Crystallographica Section C","1997","53","11","1593","1596","10.1107/S0108270197007865","","","0.71073","MoKα","","0.064","0.064","","0.144","0.144","","","","0.957","0.957","0.957","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006632","5.995","0.001","8.726","0.001","14.535","0.002","90","","90","","90","","760.36","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hygric acid","L-1-Methylproline","","- C6 H13 N O3 -","- C6 H13 N O3 -","- C24 H52 N4 O12 -","4","1","BK1308","Toscano, Rubén A.; Enríquez, Raúl G.; Reynolds, William F.; Magos, Gil A.; Gnecco, Dino","<small>L</small>-1-Methylproline Monohydrate","Acta Crystallographica Section C","1997","53","11","1690","1692","10.1107/S0108270197008706","","","0.71073","MoKα","","0.067","0.048","","0.119","0.108","","","","1.05","1.1","1.1","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006633","6.291","0.002","8.259","0.002","18.054","0.003","96.53","0.01","91.39","0.02","112.06","0.02","861.4","0.4","140","","140","","","","","","","","","2","P -1","-P 1","2","","E-2,2,5,5-Tetramethyl-3,4-diphenylhex-3-ene","","- C22 H28 -","- C22 H28 -","- C44 H56 -","2","1","BK1316","Gano, James E.; Kluwe, Constanze; Kirschbaum, Kristin; Pinkerton, A. Alan; Sekher, Padmanabhan; Skrzypczak-Jankun, Ewa; Subramaniam, Girija; Lenoir, Dieter","(<i>E</i>)-2,2,5,5-Tetramethyl-3,4-diphenylhex-3-ene, C~22~H~28~","Acta Crystallographica Section C","1997","53","11","1723","1725","10.1107/S0108270197007117","","","0.71073","MoKα","","0.068","0.049","","","0.066","","","","","2.5","2.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006634","8.2725","0.0007","13.273","0.001","9.5548","0.0007","90","","97.51","0.006","90","","1040.13","0.14","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Nitroanilino)cyclopent-2-en-1-one","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","BK1319","Huang, Kin-Shan; Stowell, Joseph G.; Byrn, Stephen R.","3-(4-Nitroanilino)-2-cyclopenten-1-one","Acta Crystallographica Section C","1997","53","11","1717","1719","10.1107/S0108270197007622","","","1.54184","CuKα","","","0.045","","","0.117","","","","","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006635","8.309","0.005","11.42","0.004","10.766","0.004","90","","95.5","0.4","90","","1016.9","1.1","148","","148","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dicarbonyl(η^5^-cyclopentadienyl)(η^1^-pyrrolyl)iron(II)","","- C11 H9 Fe N O2 -","- C11 H9 Fe N O2 -","- C44 H36 Fe4 N4 O8 -","4","1","BK1322","Powell, Madison; Bailey, Rosa D.; Eagle, Cassandra T.; Schimek, George L.; Hanks, T. W.; Pennington, William T.","Dicarbonyl(η^5^-cyclopentadienyl)(pyrrolyl-<i>N</i>)iron(II)","Acta Crystallographica Section C","1997","53","11","1611","1613","10.1107/S0108270197008718","","","0.71073","MoKα","","0.0592","0.032","","0.0418","0.0383","","","","","1.12","1.12","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2006636","10.031","0.002","10.547","0.002","14.861","0.003","90","","109.09","0.03","90","","1485.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tetraamine-cis-bis(5-nitrotetrazolato)cobalt(III) Perchlorate","tetraamine-cis-bis(5-nitro-2H-tetrazolato-N^2^)cobalt(III) perchlorate","","- C2 H12 Cl Co N14 O8 -","- C2 H12 Cl Co N14 O8 -","- C8 H48 Cl4 Co4 N56 O32 -","4","1","BK1330","Bruno Morosin; Roberto G. Dunn; Roger Assink; Thomas M. Massis; John Fronabarger; Eileen N. Duesler","The Secondary Explosive Tetraammine-<i>cis</i>-bis(5-nitro-2<i>H</i>-tetrazolato-<i>N</i>^2^)cobalt(III) Perchlorate at 293 and 213 K","Acta Crystallographica Section C","1997","53","11","1609","1611","10.1107/S0108270197007634","","","0.71073","MoKα","","0.057","0.05","","0.138","0.1333","","","","1.08","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006637","9.946","0.007","10.542","0.005","14.82","0.007","90","","108.68","0.04","90","","1472","1.5","213","2","213","5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tetraammine-cis-bis(5-nitrotetrazolato)cobalt(III) Perchlorate","tetraammine-cis-bis(5-nitro-2H-tetrazolato-N^2^)cobalt(III) perchlorate","","- C2 H12 Cl Co N14 O8 -","- C2 H12 Cl Co N14 O8 -","- C8 H48 Cl4 Co4 N56 O32 -","4","1","BK1330","Bruno Morosin; Roberto G. Dunn; Roger Assink; Thomas M. Massis; John Fronabarger; Eileen N. Duesler","The Secondary Explosive Tetraammine-<i>cis</i>-bis(5-nitro-2<i>H</i>-tetrazolato-<i>N</i>^2^)cobalt(III) Perchlorate at 293 and 213 K","Acta Crystallographica Section C","1997","53","11","1609","1611","10.1107/S0108270197007634","","","0.71073","MoKα","","0.052","0.041","","0.116","0.1093","","","","1.03","1.094","1.094","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006638","5.72","0.001","7.081","0.001","14.121","0.003","90","","101.06","0.03","90","","561.32","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cadmium thiosulfate, hydrate","","","- Cd H4 O5 S2 -","- Cd H4 O5 S2 -","- Cd4 H16 O20 S8 -","4","1","BK1331","Sergio Baggio; María I. Pardo; Ricardo Baggio; Oscar González","Cadmium Thiosulfate Dihydrate","Acta Crystallographica Section C","1997","53","11","1521","1523","10.1107/S0108270197006446","","","0.71073","MoKα","","0.032","0.03","","0.089","0.088","","","","1.23","1.253","1.253","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006639","8.5236","0.0008","8.9284","0.0007","9.9279","0.0008","90","","98.955","0.007","90","","746.32","0.11","150","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cu N6 O6 -","- C12 H16 Cu N6 O6 -","- C24 H32 Cu2 N12 O12 -","2","0.5","BM1138","Kooijman, Huub; Spek, Anthony L.; Daniëlle Rehorst; Driessen, Willem L.; Jan Reedijk","Bis(2-aminomethylpyridine-<i>N</i>,<i>N</i>')bis(nitrato-<i>O</i>)copper(II)","Acta Crystallographica Section C","1997","53","11","1596","1598","10.1107/S0108270197005118","","","0.71073","MoKα","","0.028","0.028","","0.078","0.078","","","","1.032","1.032","1.032","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006640","6.9518","0.0005","17.699","0.0013","13.5035","0.0011","90","","100.52","0.006","90","","1633.5","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ni(tsalphen)]","[N,N'-Bis(2-thiobenzylidene)-1,2-phenylenediaminato]nickel(II)","","- C20 H14 N2 Ni S2 -","- C20 H14 N2 Ni S2 -","- C80 H56 N8 Ni4 S8 -","4","1","BM1141","Smeets, Wilberth J.J.; Spek, Anthony L.; Henderson, Richard K.; Bouwman, Elisabeth; Reedijk, Jan","[<i>N</i>,<i>N</i>'-Bis(2-thiobenzylidene)-1,2-phenylenediaminato]nickel(II)","Acta Crystallographica Section C","1997","53","11","1564","1566","10.1107/S0108270197009232","","","0.71073","MoKα","","0.038","0.029","","","","0.071","","","","","","1.066","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006641","11.056","0.004","8.34","0.002","15.5461","0.0012","90","","104.829","0.013","90","","1385.7","0.6","296","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N6 O2 -","- C13 H14 N6 O2 -","- C52 H56 N24 O8 -","4","1","BM1143","Helliwell, Madeleine; Dinsmore, Andrew; Garner, C. David; Joule, John A.","<i>N</i>-3-Allylation of 2-(<i>N</i>,<i>N</i>-Dimethylaminomethyleneamino)-6-formylpteridin-4-one","Acta Crystallographica Section C","1997","53","11","1667","1669","10.1107/S0108270197009116","","","0.71069","MoKα","","0.0746","0.05","","0.1472","0.1276","","","","1.045","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006642","12.4924","0.0002","9.8064","0.0002","30.4234","0.0003","90","","98.944","0.005","90","","3681.72","0.11","295","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O3 Sn -","- C19 H22 O3 Sn -","- C152 H176 O24 Sn8 -","8","1","BM1153","Tahir, M. Nawaz; Ülkü, Dinçer; Ali, Saqib; Masood, Tariq; Danish, Mohammad; Mazhar, Mohammad","(Ketoprofenato)trimethyltin(IV)","Acta Crystallographica Section C","1997","53","11","1574","1576","10.1107/S0108270197007348","","","0.71073","MoKα","","","0.029","","","0.046","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006643","15.309","0.0007","10.553","0.0011","6.973","0.0014","90","","90","","90","","1126.5","0.3","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","BM1160","Lydon, Kevin M.; McKee, Vickie; McKervey, M. Anthony","3-Diazo-1-benzyloxycarbonylpyrrolidin-2-one","Acta Crystallographica Section C","1997","53","11","1675","1676","10.1107/S0108270197007877","","","0.71073","MoKα","","0.031","0.0269","","0.0715","0.0686","","","","1.121","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006645","17.674","0.003","17.674","0.003","12.516","0.003","90","","90","","120","","3385.8","1.1","298","","","","","","","","","","","3","P 63","P 6c","173","","","","- Al14.4 Cr3.4 Ni1.1 -","- Al14.6873 Cr3.175 -","- Al176.248 Cr38.1 -","12","2","BR1150","Sato, A.; Yamamoto, A.; Li, X. Z.; Hiraga, K.; Haibach, T.; Steurer, W.","A New Hexagonal κ Phase of Al‒Cr‒Ni","Acta Crystallographica Section C","1997","53","11","1531","1533","10.1107/S0108270197003430","","","0.71073","MoKα","","","0.052","","","0.057","","","","","2.5","2.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006646","10.8883","0.0004","6.3877","0.0001","8.4404","0.0003","90","","112.448","0.002","90","","542.56","0.03","300","","300","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tricaesiumhydrogendiselenide","","- Cs3 H O8 Se2 -","- Cs3 H O8 Se2 -","- Cs6 H2 O16 Se4 -","2","0.25","BR1168","Sonntag, Rainer; Melzer, Rolf; Wessels, Thomas; Radaelli, Pablo G.","Cs~3~H(SeO~4~)~2~ at 300K by High-Resolution Neutron Powder Diffraction","Acta Crystallographica Section C","1997","53","11","1529","1531","10.1107/S0108270197007749","","neutron","1.5946","neutron","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006647","11.9931","0.0001","11.9931","0.0001","11.9931","0.0001","90","","90","","90","","1725.02","0.02","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Hexasodium trizinc phosphate trihydrate","","- H6 Na6 O19 P4 Zn3 -","- H6 Na6 O19 P4 Zn3 -","- H24 Na24 O76 P16 Zn12 -","4","0.333333","BR1187","Xianhui Bu; Thurman E. Gier; William T. A. Harrison; Galen D. Stucky","A Cubic Hydrated Sodium Zinc Phosphate with a Tetrahedral-Triangular Framework Topology, Na~6~Zn~3~(PO~4~)~4~.3H~2~O","Acta Crystallographica Section C","1997","53","11","1517","1519","10.1107/S0108270197007889","","","0.71073","MoKα","","0.0209","0.0201","","0.0466","0.0463","","","","1.016","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006648","3.9241","0.0003","13.0404","0.0008","12.4181","0.0005","90","","92.21","0.01","90","","634.98","0.07","295","","295","","","","","","","","","5","P 1 n 1","","","","","","- C13 H12 Cl N O3 -","- C13 H12 Cl N O3 -","- C26 H24 Cl2 N2 O6 -","2","1","BS1020","Moreno-Fuquen, Rodolfo; Grajales-Tamayo, Mario; Gambardella, Maria Teresa do Prado","The 1:1 Complex Formed by 2-Picoline <i>N</i>-Oxide and 3-Chlorobenzoic Acid","Acta Crystallographica Section C","1997","53","11","1635","1637","10.1107/S0108270197007130","","","0.71073","MoKα","","0.0346","0.0293","","0.1175","0.1057","","","","1.067","1.006","1.006","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006649","9.156","0.003","9.509","0.002","8.701","0.002","99.41","0.02","116.03","0.02","73.95","0.02","653.4","0.3","293","2","293","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H46 Ru -","- C32 H32 Ru -","- C32 H32 Ru -","1","0.5","BS1021","Overby, Jason S.; Farrar, John M.; Hanusa, Timothy P.","Bis(η^5^-1,2,4-triisopropylcyclopentadienyl)ruthenium","Acta Crystallographica Section C","1997","53","11","1605","1606","10.1107/S0108270197007014","","","1.5418","CuKα","","","0.035","","","0.0462","","","","","2.046","2.046","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006650","10.016","0.004","9.185","0.004","9.105","0.004","102.68","0.04","116.9","0.05","84.62","0.03","728.8","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,8a-dihydroazulene","1,1-dicyano-2-p-cyanophenyl-1,8a-dihydroazulene","","- C19 H11 N3 -","- C19 H11 N3 -","- C38 H22 N6 -","2","1","BS1031","Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Christian Fischer; Alexander Bross","2-<i>p</i>-Cyanophenyl-1,8a-dihydroazulene-1,1-dicarbonitrile and Methyl 1-Cyano-2-<i>p</i>-cyanophenyl-1,8a-dihydroazulene-1-carboxylate","Acta Crystallographica Section C","1997","53","11","1665","1667","10.1107/S0108270197009499","","","0.71069","MoKα","","0.0738","0.0506","","0.1356","0.1201","","","","1.085","1.154","1.154","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006651","17.965","0.002","13.649","0.002","16.987","0.002","90","","129.514","0.005","90","","3213.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,8a-dihydroazulene","1-cyano,1-methoxycarbonyl-2-p-cyanophenyl-1,8a-dihydroazulene","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C160 H112 N16 O16 -","8","1","BS1031","Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Christian Fischer; Alexander Bross","2-<i>p</i>-Cyanophenyl-1,8a-dihydroazulene-1,1-dicarbonitrile and Methyl 1-Cyano-2-<i>p</i>-cyanophenyl-1,8a-dihydroazulene-1-carboxylate","Acta Crystallographica Section C","1997","53","11","1665","1667","10.1107/S0108270197009499","","","1.54178","CuKα","","0.0607","0.0378","","0.1192","0.1112","","","","1.099","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006652","17.366","0.003","8.196","0.002","20.999","0.004","90","","90","","90","","2988.8","1.1","291","2","291","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C128 H144 N32 O16 -","8","1","BS1041","De-Chun Zhang; Zheng-Hao Fei; Tian-Zhu Zhang; Yan-Qiu Zhang; Kai-Bei Yu","2-Nitro-4'-(<i>N</i>,<i>N</i>-diethylamino)azobenzene, C~16~H~18~N~4~O~2~","Acta Crystallographica Section C","1997","53","11","1647","1648","10.1107/S0108270197009517","","","0.71073","MoKα","","0.0631","0.0334","","0.0751","0.0694","","","","0.875","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006653","8.704","0.001","9.116","0.001","12.968","0.002","84.69","0.01","76.63","0.01","80.35","","985.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1-Methyl-4-(2-(2-hydroxy phenyl)vinyl) pyridium 4-tolylsulfonate hydrate Dimer: C14 H14 O2 N2^2+^.(C7 H7 S O3^-^)2. 2(H2 O)","","- C42 H46 N2 O10 S2 -","- C42 H46 N2 O10 S2 -","- C42 H46 N2 O10 S2 -","1","0.5","CF1158","Zhang, De-Chun; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Fei, Zheng-Hao; Yu, Kai-bei","The Hydrated Tosylate of Dimeric 2'-Hydroxy-4-<i>N</i>-methylstilbazolium","Acta Crystallographica Section C","1997","53","11","1649","1650","10.1107/S0108270197008469","","","0.71073","MoKα","","0.0557","0.0378","","0.1124","0.0975","","","","0.981","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006654","8.612","0.002","11.658","0.003","11.914","0.002","79.72","0.02","85.97","0.02","76.73","0.02","1145","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,6-Diamino-9-(carboxymethyl)purine Ethyl Ester","","- C9 H13 N6 O2.5 -","- C9 H13 N6 O2.5 -","- C36 H52 N24 O10 -","4","2","CF1160","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","2,6-Diamino-9-(carboxymethyl)purine Ethyl Ester","Acta Crystallographica Section C","1997","53","11","1624","1626","10.1107/S0108270197006598","","","1.54178","CuKα","","0.0452","0.0428","","0.1428","0.1192","","","","1.096","1.114","1.114","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006655","7.7208","0.0009","7.7501","0.0009","9.0531","0.001","90","","94.818","0.01","90","","539.8","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(+)-Camphorsulfonimine","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C20 H30 N2 O4 S2 -","2","1","CF1189","Arindam Chakraborty; Jayanta Kumar Ray; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","(+)-Camphorsulfonylimine","Acta Crystallographica Section C","1997","53","11","1725","1726","10.1107/S010827019701144X","","","0.71073","MoKα","","0.0569","0.0397","","0.0949","0.0895","","","","0.905","0.997","0.997","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006656","6.892","0.003","19.706","0.005","11.842","0.002","90","","94.24","0.02","90","","1603.9","0.9","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(acetonitrile)tetrakis(N,N-dimethylacetamide)nickel(II) tetrafluoroborate","","- C20 H42 B2 F8 N6 Ni O4 -","- C20 H42 B2 F8 N6 Ni O4 -","- C40 H84 B4 F16 N12 Ni2 O8 -","2","0.5","DE1060","Suzuki, Honoh; Ishiguro, Shin-ichi","Steric Hindrance in a Mixed Solvated Nickel(II) Complex: Bis(acetonitrile-<i>N</i>)tetrakis(<i>N</i>,<i>N</i>-dimethylacetamide-<i>O</i>)nickel(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1997","53","11","1602","1605","10.1107/S0108270197009463","","","0.71073","MoKα","","0.0984","0.0614","","0.1825","0.1453","","","","1.152","1.116","1.116","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006657","9.072","0.002","26.855","0.008","8.135","0.002","97.419","0.006","110.8","0.02","83.564","0.013","1832.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","n-butyl alpha-cyano-4-[2-(4-pyridyl)ethenyl]cinnamate","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","2","DE1061","Ohhara, Takashi; Hidehiro Uekusa; Yuji Ohashi; Shigehito Kondo; Masaki Hasegawa","<i>n</i>-Butyl α-Cyano-4-[2-(4-pyridyl)ethenyl]cinnamate","Acta Crystallographica Section C","1997","53","11","1692","1694","10.1107/S0108270197009475","","","0.7107","MoKα","","0.1211","0.0506","","0.156","0.1133","","","","1","1.111","1.111","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006658","5.339","0.001","9.923","0.001","4.488","0.001","90","","97.45","0.02","90","","235.76","0.07","293","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Diphosphate synthétique de Cobalt: Co~2~P~2~O~7~","","- Co2 O7 P2 -","- Co2 O7 P2 -","- Co4 O14 P4 -","2","0.5","DU1177","Kobashi, Dilshat; Kohara, Shizuo; Yamakawa, Junji; Kawahara, Akira","Structure d'un Diphosphate Synthétique de Cobalt: Co~2~P~2~O~7~","Acta Crystallographica Section C","1997","53","11","1523","1525","10.1107/S0108270197006689","","","0.71069","MoKα","","","0.04","","","","0.052","","","","1.31","1.31","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006659","9.4881","0.001","10.3231","0.0011","16.3226","0.0011","90","","90.423","0.006","90","","1598.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H50 Ga2 N8 O20 P4 -","- C12 H42 Ga2 N8 O20 P4 -","- C24 H84 Ga4 N16 O40 P8 -","2","0.5","DU1179","Serpaggi, Fabien; Loiseau, Thierry; Férey, Gérard","A New Gallium Phosphate Templated by Tris(2-aminoethyl)amine: [Ga(HPO~4~)(PO~4~)(OH)].[(C~2~H~7~ N)~3~N].H~2~O","Acta Crystallographica Section C","1997","53","11","1568","1570","10.1107/S0108270197006458","","","0.71069","MoKα","","0.078","0.042","","0.133","0.12","","","","0.955","1.056","1.056","","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2006660","11.667","0.002","7.182","0.004","14.337","0.003","90","","97.61","0.02","90","","1190.8","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(25R)-5β-hydroxy-spirost-2-en-6-one","","- C27 H40 O4 -","- C27 H40 O4 -","- C54 H80 O8 -","2","1","FG1242","Angel Dago Morales; Ramón Pomés Hernández; Francisco Coll Manchado; María Teresa Hechavarría Fonseca; Graciela Punte; Gustavo Echeverría","(25<i>R</i>)-5β-Hydroxyspirost-2-en-6-one","Acta Crystallographica Section C","1997","53","11","1705","1706","10.1107/S0108270197006501","","","0.71069","MoKα","","0.2286","0.0703","","0.3332","0.1754","","","","0.986","0.901","0.901","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006661","6.393","0.002","7.433","0.001","21.067","0.003","90","","90.97","0.02","90","","1000.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trans-Dichlorocyclamcobalt(III) chloride, tetrahydrate, 0.47(HCl)","trans-Dichloro-(1,4,8,11-tetraazacyclotetradecane)cobalt(III) chloride, tetrahydrate, 0.47 HCl","","- C10 H32.47 Cl3.47 Co N4 O4 -","- C10 H32.44 Cl3.468 Co N4 O4 -","- C20 H64.88 Cl6.936 Co2 N8 O8 -","2","0.5","FG1254","Sosa-Torres, Martha E.; Toscano, Rubén A.","<i>trans</i>-Dichloro(1,4,8,11-tetrazacyclotetradecane)cobalt(III) Chloride Tetrahydrate 0.47-Hydrochloride","Acta Crystallographica Section C","1997","53","11","1585","1588","10.1107/S0108270197007440","","","0.71069","MoKα","","0.0586","0.0413","","0.1101","0.0948","","","","1.072","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006662","9.724","0.001","11.055","0.001","16.361","0.002","79.79","0.01","79.19","0.01","73.7","0.01","1643.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Cl2 N10 Ni -","- C32 H30 Cl2 N10 Ni -","- C64 H60 Cl4 N20 Ni2 -","2","1","FG1270","Thangarasu, Pandiyan; Bernès, Sylvain; Durán de Bazúa, Carmen","Bis[bis(benzimidazol-2-ylmethyl-<i>N</i>^3^)amine-<i>N</i>]nickel(II) Dichloride","Acta Crystallographica Section C","1997","53","11","1607","1609","10.1107/S0108270197006513","","","0.71073","MoKα","","0.1083","0.0547","","0.1305","0.1042","","","","1.072","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006663","23.756","0.002","6.9151","0.0005","28.381","0.002","90","","95.457","0.006","90","","4641.2","0.6","293","","293","","","","","","","","","3","A 1 2/a 1","-A 2ya","15","","","","- C24 H32 O7 -","- C24 H32 O7 -","- C192 H256 O56 -","8","1","FG1287","Drouin, Marc; Couturier, Michel; Pierre Deslongchamps","Diastereoselectivity in the Transannular Diels‒Alder Reaction of a <i>trans</i>-<i>trans</i>-<i>trans</i> 14-Membered Macrocycle Leading to Steroids","Acta Crystallographica Section C","1997","53","11","1698","1701","10.1107/S0108270197009578","","","1.54184","CopperKα","","0.096","0.06","","0.1764","0.1571","","","","1.071","1.255","1.255","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006664","7.278","0.004","12.199","0.002","24.494","0.007","90","","91.89","0.03","90","","2173.5","1.4","293","2","193","","","","","","","","","3","P 1 21 1","P 2yb","4","","rac-3,3-bis(carbomethoxy)-18-methoxy-18-oxo-5β,9β,10α-androst-6-en-17-one","","- C24 H32 O7 -","- C24 H32 O7 -","- C96 H128 O28 -","4","2","FG1287","Drouin, Marc; Couturier, Michel; Pierre Deslongchamps","Diastereoselectivity in the Transannular Diels‒Alder Reaction of a <i>trans</i>-<i>trans</i>-<i>trans</i> 14-Membered Macrocycle Leading to Steroids","Acta Crystallographica Section C","1997","53","11","1698","1701","10.1107/S0108270197009578","","","1.54184","CopperKα","","0.0626","0.0599","","0.179","0.1749","","","","1.062","1.068","1.068","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006665","10.158","0.0002","10.158","0.0002","39.7543","0.0005","90","","90","","90","","4102.05","0.13","180","","180","","","","","","","","","6","P 41","P 4w","76","","","","- C48 H44 B F4 P2 Rh -","- C48 H44 B F4 P2 Rh -","- C192 H176 B4 F16 P8 Rh4 -","4","1","FG1294","Fu, Tai Y.; Liu, Zhaoqing; Rettig, Steven J.; Scheffer, John R.; Trotter, James","[(1,2,5,6-η)-1,5-Cyclooctadiene][(11<i>R</i>,12<i>R</i>)-9,10-dihydro-9,10-ethanoanthracene-11,12-bis(diphenylphosphino-<i>P</i>)]rhodium(I) Tetrafluoroborate","Acta Crystallographica Section C","1997","53","11","1577","1579","10.1107/S0108270197005271","","","0.7107","MoKα","","0.08","0.043","","0.086","","0.086","","","2.51","","","2.51","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006666","13.6819","0.0009","7.2379","0.0003","14.0407","0.0007","90","","111","0.01","90","","1298.07","0.15","295","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","FG1302","Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; Gambardella, Maria Teresa do Prado","The 1:1 Complex Formed by 3-Picoline <i>N</i>-Oxide and <i>p</i>-Toluic Acid","Acta Crystallographica Section C","1997","53","11","1634","1635","10.1107/S0108270197007890","","","0.71073","MoKα","","0.0761","0.046","","0.1688","0.1324","","","","1.121","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006667","5.1318","0.0002","6.9156","0.0003","14.9166","0.0006","83.3087","0.0014","88.388","0.002","71.835","0.002","499.55","0.04","293","2","293","2","","","","","","","","4","P 1","P 1","1","Pseudouridine","2,4(1H,3H)-Pyrimidinedione,5-β-D-ribofuranosyl","","- C9 H12 N2 O6 -","- C9 H12 N2 O6 -","- C18 H24 N4 O12 -","2","2","FG1303","Hempel, Andrew; Lane, Byron G.; Camerman, Norman","Pseudouridine","Acta Crystallographica Section C","1997","53","11","1707","1709","10.1107/S0108270197009323","","","0.71013","MoKα","","0.2477","0.0918","","0.2851","0.1898","","","","0.927","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006668","16.921","0.002","4.5252","0.0004","17.898","0.002","90","","112.655","0.011","90","","1264.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","perilo(1,12-b,c,d)thiophene","","- C20 H10 S -","- C20 H10 S -","- C80 H40 S4 -","4","1","FG1306","Santos, Isabel C.; Almeida, Manuel; Morgado, Jorge; Duarte, M. Teresa; Alcácer, Luís","Perylo[1,12-<i>b</i>,<i>c</i>,<i>d</i>]thiophene","Acta Crystallographica Section C","1997","53","11","1640","1642","10.1107/S0108270197007907","","","0.71069","MoKα","","0.0873","0.04","","0.124","0.0901","","","","1.129","1.037","1.037","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006669","5.1928","0.0005","20.405","0.002","29.517","0.003","90","","90","","90","","3127.6","0.5","183","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,6-Dibenzoyl-1,4-benzoquinone","","- C20 H12 O4 -","- C20 H12 O4 -","- C160 H96 O32 -","8","1","FG1318","Kumar Biradha; Michael J. Zaworotko; Ashwini Nangia; Gautam R. Desiraju","2,6-Dibenzoyl-1,4-benzoquinone","Acta Crystallographica Section C","1997","53","11","1653","1655","10.1107/S0108270197007579","","","0.71073","MoKα","","0.1025","0.0517","","0.1448","","0.1448","","","1.04","1.023","1.023","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006670","8.0485","0.0009","14.301","0.002","13.2703","0.0014","90","","91.769","0.007","90","","1526.7","0.3","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3aR*,4S*,5S*,7aR*)-4-nitrobenzoic acid 5-methyl-1,3,3,4,5,7a-hexahydroisobenzofuran-4-yl ester","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","FG1329","Batey, Robert A.; Lin, Denny; Lough, Alan J.","(3a<i>R</i>*,4<i>S</i>*,5<i>S</i>*,7a<i>R</i>*)-4-Nitrobenzoic Acid 5-Methyl-1,3,3a,4,5,7a-hexahydroisobenzofuran-4-yl Ester","Acta Crystallographica Section C","1997","53","11","1721","1723","10.1107/S0108270197007026","","","0.71073","MoKα","","0.0607","0.0433","","0.1288","0.1212","","","","1.045","1.165","1.165","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006671","16.889","0.001","9.2407","0.0005","6.2644","0.0006","90","","90","","90","","977.66","0.12","296","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","cyclohexanespiro-5'-hydantoin monohydrate","","- C8 H14 N2 O3 -","- C8 H14 N2 O3 -","- C32 H56 N8 O12 -","4","1","FG1332","Gauthier, Ted J.; Yokum, T. Scott; Morales, Guillermo A.; McLaughlin, Mark L.; Liu, Yen-Hsiang; Fronczek, Frank R.","Two Cyclohexanespiro-5'-hydantoin Monohydrates","Acta Crystallographica Section C","1997","53","11","1659","1661","10.1107/S0108270197007488","","","1.54184","CuKα","","","0.038","","","0.039","","","","","1.466","1.466","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006672","11.991","0.001","8.3535","0.0007","15.159","0.001","90","","94.731","0.008","90","","1513.3","0.2","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-Indolyl)cyclohexanespiro-5'-hydantoin","","- C16 H19 N3 O3 -","- C16 H19 N3 O3 -","- C64 H76 N12 O12 -","4","1","FG1332","Gauthier, Ted J.; Yokum, T. Scott; Morales, Guillermo A.; McLaughlin, Mark L.; Liu, Yen-Hsiang; Fronczek, Frank R.","Two Cyclohexanespiro-5'-hydantoin Monohydrates","Acta Crystallographica Section C","1997","53","11","1659","1661","10.1107/S0108270197007488","","","1.54184","CuKα","","","0.054","","","0.088","","","","","1.533","1.533","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006673","9.8918","0.001","11.6789","0.0012","12.6536","0.0012","90","","95.819","0.008","90","","1454.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzylselenolato(η^5^-cyclopentadienyl)(tricarbonyl)molybdenum(II)","","- C15 H12 Mo O3 Se -","- C15 H12 Mo O3 Se -","- C60 H48 Mo4 O12 Se4 -","4","1","FG1338","Thöne, Carsten; Jones, Peter G.; Laube, Jörg","Organometallic Selenolates. VII. (Benzylselenolato-<i>Se</i>)tricarbonyl(η^5^-cyclopentadienyl)molybdenum(II) and Bis[1,2(η^5^)-cyclopentadienyl]-di-μ-ethylselenolato-di-μ-selenido-dimolybdenum(IV)(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1997","53","11","1539","1542","10.1107/S0108270197007592","","","0.71073","MoKα","","0.0261","0.019","","0.0415","0.0404","","","","0.976","1.036","1.036","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006674","8.4036","0.0015","15.376","0.003","6.9712","0.0012","90","","99.092","0.008","90","","889.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[(η^5^-cyclopentadienyl)(μ-selenido)(μ-ethylselenolato)]- dimolybdenum(IV)(Mo=Mo)","","- C14 H20 Mo2 Se4 -","- C14 H20 Mo2 Se4 -","- C28 H40 Mo4 Se8 -","2","0.5","FG1338","Thöne, Carsten; Jones, Peter G.; Laube, Jörg","Organometallic Selenolates. VII. (Benzylselenolato-<i>Se</i>)tricarbonyl(η^5^-cyclopentadienyl)molybdenum(II) and Bis[1,2(η^5^)-cyclopentadienyl]-di-μ-ethylselenolato-di-μ-selenido-dimolybdenum(IV)(<i>Mo</i>—<i>Mo</i>)","Acta Crystallographica Section C","1997","53","11","1539","1542","10.1107/S0108270197007592","","","0.71073","MoKα","","0.0207","0.0192","","0.047","0.0461","","","","1.093","1.102","1.102","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006675","12.702","0.003","14.653","0.003","17.715","0.002","88.722","0.012","77.38","0.02","66.64","0.02","2946.1","1.1","293","","","","","","","","","","","4","P -1","-P 1","2","","5,11,17,23-Tetra-tert-butyl-25, 27-bis[2-(p-nitrobenzalamino)ethoxy]-26,28-dihydroxycalix[4]arene","","- C62 H72 N4 O8 -","- C62 H72 N4 O8 -","- C124 H144 N8 O16 -","2","1","","Zhang, Wen-Chun; Chen, Xue-An; Zhao, Ling; Huang, Zhi-Tang","5,11,17,23-Tetra-tert-butyl-26,28-dihydroxy-25,27-bis[2-(p-nitrobenzylidene-amino)ethoxy]calix[4]arene","Acta Crystallographica Section C","1997","53","11","1644","1647","10.1107/S010827019700961X","","","0.71073","MoKα","","","0.0626","","0.1862","0.1527","","","","0.852","1.146","1.146","","","","","has coordinates,has disorder","175018","2020-10-21","18:00:00",""
"2006676","9.1708","0.0014","10.696","0.0003","7.4317","0.0015","92.08","0.02","107.8","0.01","92.57","0.02","692.43","0.18","296","","296","","","","","","","","","3","P -1","-P 1","2","","cis-3,5a-Dimethyl-6-formyloxy-1H-5a,6,7,8,9-pentahydro-1- oxopyrano[4,3-b][1]benzopyran","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","FG1343","Robinson, Paul D.; Hua, Duy H.; Chen, Yi; Meyers, Cal Y.","<i>cis</i>-3,5a-Dimethyl-1-oxo-5a,6,8,9-tetrahydro-1<i>H</i>,7<i>H</i>-pyrano[4,3-<i>b</i>][1]benzopyran-6-yl Formate","Acta Crystallographica Section C","1997","53","11","1642","1644","10.1107/S0108270197008603","","","0.71069","MoKα","","0.0701","0.0382","","0.1209","","0.1027","","","1.031","1.093","1.093","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006677","8.3369","0.001","9.506","0.0012","29.565","0.003","90","","90","","90","","2343","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-Benzyldi(methanesulfonyl)amine","","- C9 H13 N O4 S2 -","- C9 H13 N O4 S2 -","- C72 H104 N8 O32 S16 -","8","2","FG1348","Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXIX. <i>N</i>,<i>N</i>-Bis(methylsulfonyl)benzylamine","Acta Crystallographica Section C","1997","53","11","1669","1671","10.1107/S0108270197009177","","","0.71073","MoKα","","0.0386","0.0315","","0.0769","0.0745","","","","1.046","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006678","9.368","0.002","10.627","0.002","12.219","0.002","76.67","0.03","73.94","0.03","66.93","0.03","1065.2","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","Bis(N, N'-di-2-pyridyl ketone oximato)chlorogold(III) hydrate","","- C22 H18 Au Cl N6 O3 -","- C22 H18 Au Cl N6 O3 -","- C44 H36 Au2 Cl2 N12 O6 -","2","1","FR1030","Sommerer, Shaun O.; MacBeth, Cora E.; Jircitano, Alan J.; Abboud, Khalil A.","Chlorobis(<i>N</i>,<i>N</i>'-di-2-pyridyl ketone oximato)gold(III) Hydrate","Acta Crystallographica Section C","1997","53","11","1551","1553","10.1107/S0108270197008925","","","0.71073","MoKα","","0.0337","0.0271","","0.0605","0.0579","","","","1.066","1.085","1.085","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006679","13.8946","0.0008","16.513","0.0001","6.4276","0.0004","90","","90","","90","","1474.76","0.13","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","N,N'-(dimethylthiourea)gold(I) perchlorate","","- C6 H16 Au Cl N4 O4 S2 -","- C6 H16 Au Cl N4 O4 S2 -","- C24 H64 Au4 Cl4 N16 O16 S8 -","4","0.5","FR1036","Richard J. Staples; John P. Fackler Jr; Juan Costamagna","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)gold(I) Perchlorate and Bis(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)gold(I) Perchlorate","Acta Crystallographica Section C","1997","53","11","1555","1558","10.1107/S0108270197008317","","","0.71073","MoKα","","0.0325","0.0324","","0.1097","0.1096","","","","1.252","1.255","1.255","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006680","7.278","0.001","12.127","0.003","21.118","0.006","90","","90","","90","","1863.9","0.7","193","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis(diethylthiourea)gold(I) percholorate","","- C10 H24 Au Cl N4 O4 S2 -","- C10 H24 Au Cl N4 O4 S2 -","- C40 H96 Au4 Cl4 N16 O16 S8 -","4","1","FR1036","Richard J. Staples; John P. Fackler Jr; Juan Costamagna","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)gold(I) Perchlorate and Bis(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)gold(I) Perchlorate","Acta Crystallographica Section C","1997","53","11","1555","1558","10.1107/S0108270197008317","","","0.71073","MoKα","","0.1383","0.0915","","0.1714","0.1505","","","","1.116","1.196","1.196","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006681","7.698","0.002","16.647","0.002","15.3084","0.0015","90","","102.271","0.012","90","","1916.9","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cyanobis(tricyclohexyl)phosphino)gold(I)","","- C19 H33 Au N P -","- C19 H33 Au N P -","- C76 H132 Au4 N4 P4 -","4","1","FR1044","Al-Arfaj, A.R.; Reibenspies, J.H.; Hussain, M. Sakhawat; Darensbourg, M.Y.; Akhtar, N.; Isab, A.A.","Cyano[tri(cyclohexyl)phosphino]gold(I), [Au(CN){(C~6~H~11~)~3~P}]","Acta Crystallographica Section C","1997","53","11","1553","1555","10.1107/S0108270197008937","","","0.71073","MoKα","","0.0834","0.0472","","0.1085","0.0944","","","","1.018","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006682","22.94","0.007","13.611","0.005","25.178","0.007","90","","116","0.01","90","","7066","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tris(2,2'-Bipyridyl)-zinc(ii) thiosulfate, heptahydrate","","","- C30 H38 N6 O10 S2 Zn -","- C30 H36.68 N6 O9.34 S2 Zn -","- C240 H293.44 N48 O74.72 S16 Zn8 -","8","1","HA1190","Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa","Tris(2,2'-bipyridyl-<i>N</i>,<i>N</i>')zinc(II) Thiosulfate Heptahydrate","Acta Crystallographica Section C","1997","53","11","1570","1572","10.1107/S0108270197008615","","","0.71073","MoKα","","0.092","0.069","","0.204","0.144","","","","1.328","1.284","1.284","","","","","has coordinates,has disorder","203567","2020-10-21","18:00:00",""
"2006683","6.681","0.003","8.362","0.001","16.707","0.002","90","","97.01","0.05","90","","926.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(o-Carboxyphenyl)-1- methyltriazene 1- oxide","3-(o-Carboxyphenyl)-1- methyltriazene 1- oxide","","- C8 H9 N3 O3 -","- C8 H9 N3 O3 -","- C32 H36 N12 O12 -","4","1","HA1193","Chitra Samanta; Sailesh C. Saha; Alok Kumar Mukherjee","3-(<i>o</i>-Carboxyphenyl)-1-methyltriazene 1-Oxide","Acta Crystallographica Section C","1997","53","11","1657","1658","10.1107/S0108270197006537","","","0.71073","MoKα","","0.0466","0.039","","0.1127","0.109","","","","1.042","1.123","1.123","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006684","11.192","0.002","9.96","0.001","18.282","0.002","90.33","0.03","97.03","0.02","90.19","0.02","2022.6","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diantimony - molybdenum - hexaoxide","","- Mo O6 Sb2 -","- Mo O6 Sb2 -","- Mo16 O96 Sb32 -","16","8","JZ1184","Castro, Alicia; Enjalbert, Renée; Galy, Jean","Sb~2~MoO~6~, a Re-examination","Acta Crystallographica Section C","1997","53","11","1526","1529","10.1107/S0108270197006239","","","0.71069","MoKα","","0.0502","0.0298","","0.1067","0.0967","","","","1.01","1.614","1.614","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006685","12.381","0.01","9.185","0.005","9.221","0.005","90","","90","","90","","1048.6","1.2","293","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Ni10 Zr7 -","- Ni10 Zr7 -","- Ni40 Zr28 -","4","","JZ1204","Joubert, Jean-Marc; Černý, R.; Yvon, K.; Latroche, M.; Percheron-Guégan, A.","Zirconium‒Nickel, Zr~7~Ni~10~: Space Group Revision for the Stoichiometric Phase","Acta Crystallographica Section C","1997","53","11","1536","1538","10.1107/S0108270197007142","","","0.71073","MoKα","","","0.0605","","","","0.0376","","","","","","1.2892","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006686","7.712","0.001","11.52","0.001","12.721","0.001","90","","94.86","0.01","90","","1126.1","0.2","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-Buten-1-yl-(S)-N-(2'-methoxy-[1,1']binaphthalenyl-2-yl)propanimidate","","- C28 H27 N O2 -","- C28 H27 N O2 -","- C56 H54 N2 O4 -","2","1","JZ1211","Fröhlich, Roland; Hungerhoff, Benno; Metz, Peter","(<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-[1,1']binaphthalen-2-yl)propanimidate and (<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-3-methyl-[1,1']binaphthalen-2-yl)propanimidate","Acta Crystallographica Section C","1997","53","11","1655","1657","10.1107/S0108270197006756","","","1.54178","CuKα","","0.0398","0.0364","","0.1093","0.1054","","","","1.049","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006687","7.786","0.001","17.431","0.001","8.749","0.001","90","","98.24","0.01","90","","1175.1","0.2","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-Buten-1-yl-(S)-N-(2'-methoxy-3-methyl-[1,1']binaphthalenyl-2-yl)- propanimidate","","- C29 H29 N O2 -","- C29 H29 N O2 -","- C58 H58 N2 O4 -","2","1","JZ1211","Fröhlich, Roland; Hungerhoff, Benno; Metz, Peter","(<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-[1,1']binaphthalen-2-yl)propanimidate and (<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-3-methyl-[1,1']binaphthalen-2-yl)propanimidate","Acta Crystallographica Section C","1997","53","11","1655","1657","10.1107/S0108270197006756","","","1.54178","CuKα","","0.0325","0.0314","","0.095","0.0904","","","","1.066","1.069","1.069","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006688","11.0647","0.0005","11.52","0.0004","9.6867","0.0004","90","","103.199","0.004","90","","1202.1","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Imidazole) (N-salicylideneglycinato)-Copper(II) Polymer","","- C12 H11 Cu N3 O3 -","- C12 H11 Cu N3 O3 -","- C48 H44 Cu4 N12 O12 -","4","1","JZ1215","Warda, Salam A.","The Chain Polymers (Imidazole)(<i>N</i>-salicylideneglycinato)copper(II) and (2-Ethylimidazole)(<i>N</i>-salicylideneglycinato)copper(II)","Acta Crystallographica Section C","1997","53","11","1590","1593","10.1107/S0108270197008056","","","1.54178","CuKα","","0.0465","0.0419","","0.1189","0.1143","","","","1.053","1.069","1.069","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006689","11.2152","0.0005","9.3864","0.0005","26.2788","0.0009","90","","90","","90","","2766.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2-Ethylimidazole) (N-salicylideneglycinato)-Copper(II) Polymer","","- C14 H15 Cu N3 O3 -","- C14 H15 Cu N3 O3 -","- C112 H120 Cu8 N24 O24 -","8","1","JZ1215","Warda, Salam A.","The Chain Polymers (Imidazole)(<i>N</i>-salicylideneglycinato)copper(II) and (2-Ethylimidazole)(<i>N</i>-salicylideneglycinato)copper(II)","Acta Crystallographica Section C","1997","53","11","1590","1593","10.1107/S0108270197008056","","","1.54178","CuKα","","0.0498","0.0368","","0.1067","0.0996","","","","1.031","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006690","9.1844","0.0004","16.9279","0.0007","9.3097","0.0004","90","","94.489","0.006","90","","1442.96","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Imidazole) (N-Salicylidene-α-aminoisobutyrato)-Copper(II) Dimer","","- C14 H15 Cu N3 O3 -","- C14 H15 Cu N3 O3 -","- C56 H60 Cu4 N12 O12 -","4","1","JZ1216","Warda, Salam A.","(Imidazole-<i>N</i>^3^)(<i>N</i>-salicylidene-α-aminoisobutyrato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) Dimer","Acta Crystallographica Section C","1997","53","11","1588","1590","10.1107/S0108270197008275","","","1.54178","CuKα","","0.035","0.0338","","0.0932","0.0924","","","","1.087","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006691","9.2511","0.001","13.513","0.003","6.1542","0.0003","90","","90","","90","","769.34","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","6-Nitrophthalide","1,3-Dihydro-6-nitrobenzo[c]furan-1-one","","- C8 H5 N O4 -","- C8 H5 N O4 -","- C32 H20 N4 O16 -","4","1","JZ1219","Bradley, Richard F.; Schwalbe, Carl H.; Ross, Kenneth C.; Fraser, William; Freeman, Sally","6-Nitrophthalide","Acta Crystallographica Section C","1997","53","11","1626","1628","10.1107/S0108270197008494","","","1.54178","CuKα","","0.0376","0.0361","","0.0993","0.0968","","","","1.072","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006692","34.05","0.005","11.3","0.003","8.347","0.002","90","","90","","90","","3211.6","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(4-chlorophenyl)-2-(N-acetylthiocarbamato)-ethanoic acid acetonitrile (1:1)","","- C13 H13 Cl N2 O4 S -","- C13 H13 Cl N2 O4 S -","- C104 H104 Cl8 N16 O32 S8 -","8","1","JZ1220","Leban, Ivan; Majcen Le Maréchal, Alenka; Robert, Albert","2-(4-Chlorophenyl)-2-(<i>N</i>-acetylcarbamoylthio)ethanoic Acid‒Acetonitrile (1/1)","Acta Crystallographica Section C","1997","53","11","1677","1679","10.1107/S0108270197008627","","","0.71073","MoKα","","0.0973","0.049","","0.122","0.0976","","","","1.038","1.124","1.124","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006693","13.603","0.001","8.383","0.001","12.198","0.001","90","","97.66","0.01","90","","1378.6","0.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis-(4-benzylpiperidinium) Tetrachloromercurate","","- C24 H36 Cl4 Hg N2 -","- C24 H36 Cl4 Hg N2 -","- C48 H72 Cl8 Hg2 N4 -","2","1","JZ1221","Spengler, Roland; Zouari, Fatma; Ben Salah, Abdelhamid; Burzlaff, Hans","Bis(4-benzylpiperidinium) Tetrachloromercurate","Acta Crystallographica Section C","1997","53","11","1566","1568","10.1107/S0108270197008500","","","0.7107","MoKα","","0.047","0.04","","0.042","","0.04","","","1.42","","","1.45","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006694","10.1144","0.0009","13.4212","0.0011","30.576","0.003","90","","98.919","0.009","90","","4100.4","0.6","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1,3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane‒ hexamethylenetetramine (1/1).","","- C43 H64 N4 O3 -","- C43 H64 N4 O3 -","- C172 H256 N16 O12 -","4","1","JZ1228","Meehan, Paul R.; Gregson, Richard M.; Glidewell, Christopher; Ferguson, George","Steric Inhibition of Molecular Weaving: Non-Woven Nets of <i>R</i>^6^~6~(40) and <i>R</i>^6^~6~(60) Rings in 1,1,3-Tris(2-methyl-4-hydroxy-5-<i>tert</i>-butylphenyl)butane‒Hexamethylenetetramine (1/1)","Acta Crystallographica Section C","1997","53","11","1637","1640","10.1107/S0108270197009293","","","0.7107","MolybdenumKα","","0.2502","0.0622","","0.1374","","0.106","","","0.815","","","1.229","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006695","8.39","0.0009","13.27","0.002","23.258","0.0015","90","","90","","90","","2589.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dimethyl N,N-(Endo-himmoyl)-(R,R)-cysteine","Dimethyl N,N-(Endo-himmoyl)-(R,R)-cysteine","","- C26 H28 N2 O8 S2 -","- C26 H28 N2 O8 S2 -","- C104 H112 N8 O32 S8 -","4","1","KA1223","Hibbs, David E.; Hursthouse, Michael B.; Malik, K. M. Abdul; North, Michael","Dimethyl <i>N</i>,<i>N</i>'-Bis(<i>endo</i>-himmoyl)-(<i>R</i>,<i>R</i>)-cystine","Acta Crystallographica Section C","1997","53","11","1701","1703","10.1107/S0108270197007154","","","0.71069","MoKα","","0.0875","0.0725","","0.1939","0.1851","","","","1.088","1.199","1.199","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006696","8.352","0.001","10.664","0.001","12.65","0.001","90","","90","","90","","1126.68","0.19","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H5 N O S -","- C5 H5 N O S -","- C40 H40 N8 O8 S8 -","8","1","KA1236","Hartung, Jens; Svoboda, Ingrid; Duarte, Maria Teresa","Hydrogen Bonding in 1-Hydroxy-4(1<i>H</i>)-pyridinethione","Acta Crystallographica Section C","1997","53","11","1631","1634","10.1107/S0108270197008834","","","0.71093","MoKα","","0.0414","0.0294","","0.0744","0.0679","","","","1.083","1.115","1.115","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006697","14.486","0.002","11.1562","0.0007","6.373","0.002","90","","90","","90","","1029.9","0.4","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","1","KA1240","Hartung, Jens; Svoboda, Ingrid; Fuess, Hartmut; Duarte, Maria Teresa","Lone-Pair Repulsion in Cyclic Hydroxamic Acid <i>O</i>-Esters: <i>N</i>-Cyclohexyloxy-2(1<i>H</i>)-pyridone","Acta Crystallographica Section C","1997","53","11","1629","1631","10.1107/S0108270197008846","","","0.71093","MoKα","","0.0434","0.038","","0.0917","0.0873","","","","1.114","1.118","1.118","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006698","5.8295","0.0007","5.5407","0.0007","16.345","0.002","90","","94.607","0.002","90","","526.23","0.11","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-dinitro-2,2'-bipyridine","","- C10 H6 N4 O4 -","- C10 H6 N4 O4 -","- C20 H12 N8 O8 -","2","0.5","KA1243","Pilkington, Melanie; Capelli, Silvia; Hauser, Jürg; Hoffmann, Christina; Bürgi, Hans-Beat","4,4'-Dinitro-2,2'-bipyridine","Acta Crystallographica Section C","1997","53","11","1719","1721","10.1107/S0108270197006586","","","0.71073","MoKα","","0.0456","0.0359","","0.0888","0.0852","","","","2.688","2.841","2.841","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006699","11.4923","0.0005","14.3227","0.0007","8.1715","0.0004","95.655","0.001","94.838","0.001","89.567","0.001","1333.72","0.11","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","Copper(II) (N,N-bis(3,5-dimethylpyrazolyl-1-ylmethyl)-1-hydroxy- 2-aminoethane)(3,5-dimethyl-pyrazol) bis(perchlorate)","","- C19 H31 Cl2 Cu N7 O9 -","- C19 H31 Cl2 Cu N7 O9 -","- C38 H62 Cl4 Cu2 N14 O18 -","2","1","KH1152","Boyd, Peter D. W.; Burrell, Anthony K.; Rickard, Clifton E. F.","[<i>N</i>,<i>N</i>-Bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxy-2-aminoethane](3,5-dimethylpyrazole)copper(II) Diperchlorate","Acta Crystallographica Section C","1997","53","11","1549","1551","10.1107/S0108270197007932","","","0.71073","MoKα","","0.0442","0.0398","","0.1161","0.1125","","","","1.042","1.064","1.064","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006700","8.196","0.005","9.315","0.003","7.306","0.002","107.5","0.03","112.93","0.04","98.51","0.03","467.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N-dimethyl-1,3-propanediamine nickel(II) thiocyanate","","- C12 H28 N6 Ni S2 -","- C12 H28 N6 Ni S2 -","- C12 H28 N6 Ni S2 -","1","0.5","LI1152","Soma Ghosh; Monika Mukherjee; Alok K. Mukherjee; Nirmalendu Ray Chaudhuri","Bis(<i>N</i>,<i>N</i>-dimethyl-1,3-propanediamine)bis(thiocyanato-<i>N</i>)nickel(II), Ni<i>L</i>~2~(NCS)~2~, and its Solid-State Isomer [<i>L</i> = NH~2~(CH~2~)~3~N(CH~3~)~2~]","Acta Crystallographica Section C","1997","53","11","1561","1564","10.1107/S010827019700588X","","","0.71073","MoKα","","0.026","0.024","","0.062","0.061","","","","0.988","1.003","1.003","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006701","7.354","0.001","8.477","0.001","25.511","0.003","90","","90","","90","","1590.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(4-chlorophenyl)amino-6,7,8,9-tetrahydrobenzo(b)thieno[3,2-e]- 1,2,4-triazolo[1,5-c]-pyrimidine.","","- C17 H14 Cl N5 S -","- C17 H13.872 Cl N5 S -","- C68 H55.488 Cl4 N20 S4 -","4","1","MU1295","Velavan, Ramasamy; Sivakumar, Kandasamy; Fun, Hoong-Kun; Pathak, Urvish S.; Jain, Kishor S.; Singh, Sanjay","Two Substituted [1,2,4]Triazole Derivatives","Acta Crystallographica Section C","1997","53","11","1615","1617","10.1107/S0108270197004812","","","0.71073","MoKα","","0.0675","0.0563","","0.1836","0.1461","","","","1.046","1.058","1.058","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006702","8.814","0.001","8.718","0.001","22.125","0.002","90","","90.8","0.01","90","","1699.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-chlorophenyl)amino-4-methyl-6,7,8,9-tetrahydrobenzo(b)thieno[3,2-e]- 1,2,4-triazolo[1,5-c]-pyrimidine.","","- C18 H16 Cl N5 S -","- C18 H15.664 Cl N5 S -","- C72 H62.656 Cl4 N20 S4 -","4","1","MU1295","Velavan, Ramasamy; Sivakumar, Kandasamy; Fun, Hoong-Kun; Pathak, Urvish S.; Jain, Kishor S.; Singh, Sanjay","Two Substituted [1,2,4]Triazole Derivatives","Acta Crystallographica Section C","1997","53","11","1615","1617","10.1107/S0108270197004812","","","0.71073","MoKα","","0.0529","0.0391","","0.1109","0.1048","","","","0.962","1.065","1.065","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006703","10.131","0.003","12.711","0.005","23.594","0.007","87.27","0.03","101.59","0.03","109.05","0.03","2812.8","1.7","293","","","","","","","","","","","8","P -1","-P 1","2","","","","- C59 H49 Cu3 Mo N O P3 S4 -","- C59 H49 Cu3 Mo N O P3 S4 -","- C118 H98 Cu6 Mo2 N2 O2 P6 S8 -","2","1","MU1304","Wang, Quanming; Wu, Xintao; Huang, Qun; Sheng, Tianlu; Lin, Ping","Oxo-1κ<i>O</i>-μ~3~-(pyridine-2-thiolato-2κ<i>N</i>,3:4κ^2^<i>S</i>)-tri-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>;2:3:4κ^3^<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>;3κ<i>P</i>;4κ<i>P</i>-tricoppermolybdenum","Acta Crystallographica Section C","1997","53","11","1542","1543","10.1107/S010827019700382X","","","0.71073","MoKα","","","0.054","","","0.06","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006704","9.728","0.003","19.856","0.011","12.939","0.004","90","","103.75","0.03","90","","2427.7","1.7","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris(di-μ-chloro-dichloroaluminium-1κ^2^Cl:2κ^2^Cl)(η^6^-toluene)neodymium","","- C7 H8 Al3 Cl12 Nd -","- C7 H8 Al3 Cl12 Nd -","- C28 H32 Al12 Cl48 Nd4 -","4","1","MU1314","Liu, Qiancai; Lin, Yong-Hua; Shen, Qi","An η^6^-Toluene Complex of Neodymium: [Nd(η^6^-C~6~H~5~CH~3~)(AlCl~4~)~3~]","Acta Crystallographica Section C","1997","53","11","1579","1580","10.1107/S0108270197004964","","","0.71069","MoKα","","","0.039","","","0.038","","","","","1.464","1.464","","","","","has coordinates","278316","2022-10-03","11:25:04",""
"2006705","10.725","0.001","11.126","0.002","18.368","0.003","93.41","0.01","90.05","0.01","112.61","0.01","2019.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","trans-Tetracarbonylbis[tris(4-chlorophenyl)phosphine]molybdenum(0)","","- C40 H24 Cl6 Mo O4 P2 -","- C40 H24 Cl6 Mo O4 P2 -","- C80 H48 Cl12 Mo2 O8 P4 -","2","1","MU1322","Shawkataly, Omar bin; Umathavan, Arumugam; Ramalingam, Kuppukkannu; Fun, Hoong-Kun; Ibrahim, Abdul Razak","<i>trans</i>-Tetracarbonylbis[tris(4-chlorophenyl)phosphine-<i>P</i>]molybdenum(0)","Acta Crystallographica Section C","1997","53","11","1543","1545","10.1107/S0108270197009384","","","0.71073","MoKα","","0.109","0.048","","0.121","0.102","","","","0.81","0.968","0.968","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006706","8.028","0.001","12.349","0.002","14.922","0.003","90","","92.2","0.01","90","","1478.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cl N4 -","- C18 H11 Cl N4 -","- C72 H44 Cl4 N16 -","4","1","MU1327","Zhong-Lin Lu; Zhen-Wei Bian; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","<i>o</i>-Chlorobenzaldehyde 4,5-Diaza-9-fluorenylidenehydrazone","Acta Crystallographica Section C","1997","53","11","1614","1615","10.1107/S0108270197008159","","","0.71073","MoKα","","0.1089","0.0414","","0.1017","0.0864","","","","0.808","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006707","14.922","0.002","15.157","0.002","23.606","0.003","90","","90","","90","","5339","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl- xanthylium Iodide Monohydrate","","- C28 H33 I N2 O4 -","- C28 H33 I N2 O4 -","- C224 H264 I8 N16 O32 -","8","1","MU1330","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Cai-Ming Lu; Ren-Gen Xiong; Xiao-zeng You","<i>N</i>-[9-(2-Ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]ethylammonium Iodide Monohydrate","Acta Crystallographica Section C","1997","53","11","1619","1620","10.1107/S0108270197009360","","","0.71073","MoKα","","0.1016","0.0596","","0.2024","0.1788","","","","0.984","1.199","1.199","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006708","18.262","0.002","7.096","0.001","26.315","0.002","90","","105.09","0.01","90","","3292.5","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,12-dibromo-5,6-dihydrodibenz[c,h]acridine","","- C21 H13 Br2 N -","- C21 H13 Br2 N -","- C168 H104 Br16 N8 -","8","1","MU1331","Jayanta Kumar Ray; Manash Kumar Haldar; Kandasamy Chinnakali; Hoong-Kun Fun","2,12-Dibromo-5,6-dihydrodibenz[<i>c</i>,<i>h</i>]acridine","Acta Crystallographica Section C","1997","53","11","1617","1619","10.1107/S0108270197009372","","","0.71073","MoKα","","0.1051","0.041","","0.1033","0.0857","","","","0.865","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006709","10.758","0.001","23.899","0.002","5.9","0.001","90","","90","","90","","1516.9","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1-(p-Chlorophenyl)-4(2-thienyl)pyrrolidin-2-one-5-carboxylic acid","","- C15 H12 Cl N O3 S -","- C15 H12 Cl N O3 S -","- C60 H48 Cl4 N4 O12 S4 -","4","1","MU1332","Jayanta Kumar Ray; Bidhan Chandra Roy; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun","1-(<i>p</i>-Chlorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2-carboxylic Acid","Acta Crystallographica Section C","1997","53","11","1622","1624","10.1107/S0108270197009396","","","0.71073","MoKα","","0.085","0.0384","","0.0817","0.0714","","","","0.816","1.021","1.021","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006710","8.836","0.001","10.065","0.001","19.071","0.005","90","","90","","90","","1696.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Acetoylphenylhydrazone","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","1","MU1336","Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Hoong-Kun Fun","<i>N</i>-Acetoylphenylhydrazone","Acta Crystallographica Section C","1997","53","11","1621","1622","10.1107/S0108270197009402","","","0.71073","MoKα","","0.0624","0.0477","","0.1409","0.1308","","","","0.987","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006711","6.61","0.002","11.371","0.001","14.683","0.001","90","","91.73","0.01","90","","1103.1","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","trihydrate 1/1 salt between ((R)-3-Hydroxy-4-trimethylammonio)butiramide and ((1R,3S)-1,2,2-Trimethyl-1,3-cyclopentane dicarboxylic acid)","","- C17 H38 N2 O9 -","- C17 H31 N2 O9 -","- C34 H62 N4 O18 -","2","1","NA1264","De Santis, Pasquale; Camalli, Mercedes; Spagna, Riccardo; Gallo, G.; Giorgi, F.; Tinti, M.O.","Trihydrate 1/1 Salt Between (<i>R</i>)-Carnitine Amide and (1<i>R</i>,3<i>S</i>)-Camphoric Acid","Acta Crystallographica Section C","1997","53","11","1679","1682","10.1107/S0108270197007178","","","1.54178","CuKα","","","0.059","","","0.081","","","","","0.995","0.995","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006712","4.0367","0.001","14.956","0.003","18.404","0.003","90","","90","","90","","1111.1","0.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Guanidinium bis[dichloromercury(II)]chloride,","","- C H6 Cl5 Hg2 N3 -","- C H6 Cl5 Hg2 N3 -","- C4 H24 Cl20 Hg8 N12 -","4","0.5","NA1294","Kubicki, Maciej; Szafrański, Marek","Poly{guanidinium bis[dichloromercury(II)]-μ~4~-chloro}","Acta Crystallographica Section C","1997","53","11","1558","1561","10.1107/S0108270197007944","","","0.71073","MoKα","","0.077","0.062","","0.188","0.165","","","","1.087","1.134","1.134","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006713","8.123","0.001","10.58","0.002","10.981","0.002","98.52","0.01","101.76","0.01","105.97","0.01","867.1","0.3","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 O8 Pb -","- C14 H18 O8 Pb -","- C28 H36 O16 Pb2 -","2","1","NA1300","John Fawcett; Paul Jenkins; David R. Russell; Andrew J. Wood; Jan Wolters; Dick de Vos","Tris(acetato-<i>O</i>,<i>O</i>')(2,4-dimethoxyphenyl)lead(IV)","Acta Crystallographica Section C","1997","53","11","1600","1602","10.1107/S010827019700574X","","","0.71073","MoKα","","0.056","0.043","","0.102","0.095","","","","1.013","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006714","10.501","0.002","14.235","0.003","12.485","0.002","90","","91.1","0.1","90","","1865.9","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-[bis(N-methylpiperazine)Platinum(II)] dichloride tetrahydrate.","","- C10 H32 Cl2 N4 O4 Pt -","- C10 H24 N4 Pt -","- C40 H96 N16 Pt4 -","4","0.5","NA1302","Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni","Piperazine (and Derivatives) Platinum(II) Complexes: <i>trans</i>-Bis(<i>N</i>-methylpiperazine-<i>N</i>,<i>N</i>')platinum(II) Dichloride Tetrahydrate","Acta Crystallographica Section C","1997","53","11","1580","1583","10.1107/S0108270197007506","","","1.5418","CuKα","","0.081","0.073","","0.213","0.202","","","","1.055","1.136","1.136","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006715","6.7832","0.0009","18.325","0.0003","27.751","0.0004","90","","90","","90","","3449.5","0.5","289","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R,R)-Jacobsen Ligand","(1R,2R)-(-)-1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butyl-salicylidene)","","- C36 H54 N2 O2 -","- C36 H54 N2 O2 -","- C144 H216 N8 O8 -","4","1","NA1304","Yoon, Jae Woong; Yoon, Tae-Sung; Shin, Whanchul","(1<i>R</i>,2<i>R</i>)-({-})-<i>N</i>,<i>N</i>'-Bis(3,5-di-<i>tert</i>-butylsalicylidene)-1,2-cyclohexanediamine: a Salen Ligand of Jacobsen's Catalyst","Acta Crystallographica Section C","1997","53","11","1685","1687","10.1107/S0108270197006379","","","0.71069","MoKα","","0.1362","0.0592","","0.2022","0.1356","","","","1.065","1.021","1.021","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006716","5.47","0.001","18.31","0.004","18.88","0.004","90","","90","","90","","1890.9","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Benzyl-1-(hydroxyamino)-2:3;4:5-di-O-isopropylidene-α-D-mannofuranose","","- C19 H27 N O6 -","- C19 H27 N O6 -","- C76 H108 N4 O24 -","4","1","NA1319","Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Franco, Santiago","Chiral Hydroxylamines. IV. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-2:3;4:5-di-<i>O</i>-isopropylidene-α-<small>D</small>-mannofuranose","Acta Crystallographica Section C","1997","53","11","1703","1705","10.1107/S010827019700913X","","","0.71073","MoKα","","0.102","0.069","","0.34","","0.174","","","1.078","","","1.08","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006717","6.398","0.002","23.965","0.001","14.687","0.005","90","","95.3","0.03","90","","2242.3","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","6,6'-di-t-butylcarbonyloxy-2-carbométhoxy-4-méthylènecyclooctanone.","","- C21 H32 O7 -","- C21 H32 O7 -","- C84 H128 O28 -","4","2","PA1250","Ginderow, Daria; Louis Fensterbank; Catherine Jorand-Lebrun; Max Malacria","Deux Composés Trisubstitués de la 4-Méthylènecyclooctanone","Acta Crystallographica Section C","1997","53","11","1661","1665","10.1107/S0108270197008391","","","1.5418","CuKα","","0.0447","0.0403","","0.1175","0.1128","","","","1.027","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006718","9.678","0.003","11.042","0.009","13.668","0.005","66.2","0.05","74.26","0.03","77.26","0.04","1276","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6,6'-di-t-butylcarbonyloxy-2-phénylsulfonyl-4-méthylènecyclooctanone","","- C25 H34 O7 S -","- C25 H34 O7 S -","- C50 H68 O14 S2 -","2","1","PA1250","Ginderow, Daria; Louis Fensterbank; Catherine Jorand-Lebrun; Max Malacria","Deux Composés Trisubstitués de la 4-Méthylènecyclooctanone","Acta Crystallographica Section C","1997","53","11","1661","1665","10.1107/S0108270197008391","","","1.5418","CuKα","","0.0457","0.0432","","0.1178","0.116","","","","1.059","1.059","1.059","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006719","9.481","0.001","12.592","0.001","14.322","0.001","114.559","0.001","95.919","0.001","95.249","0.001","1529.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dicarbonyl[η^4^-((E)-(2,6,6-Trimethyl-cyclohepta-2,4-dienylidene)-ethyl acetat)]triphenylphosphine-iron","","- C34 H35 Fe O4 P -","- C34 H35 Fe O4 P -","- C68 H70 Fe2 O8 P2 -","2","1","QA0015","Petrowitsch, Tanja; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","Dicarbonyl[η^4^-(<i>E</i>)-(2,6,6-trimethylcyclohepta-2,4-dienylidene)ethyl acetate](triphenylphosphine)iron","Acta Crystallographica Section C","1997","53","11","IUC9700023","","10.1107/S0108270197099356","","","0.71069","MoKα","","0.087","0.0389","","0.1088","0.0906","","","","0.74","0.824","0.824","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006720","24.778","0.009","9.442","0.003","9.537","0.006","90","","91.27","0.04","90","","2230.7","1.8","296","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-(1-Adamantyl)acetamide","","- C12 H19 N O -","- C12 H19 N O -","- C96 H152 N8 O8 -","8","1","QA0021","Mizoguchi, Jun-ichi; Miyaki Takayuki; Kashino, Setsuo","<i>N</i>-(1-Adamantyl)acetamide","Acta Crystallographica Section C","1997","53","11","IUC9700024","","10.1107/S0108270197099319","","","0.71073","MoKα","","","0.057","","","","0.054","","","","","","1.25","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006721","12.331","0.002","21.349","0.002","15.849","0.002","90","","92.079","0.01","90","","4169.6","0.9","295.2","","295.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- As2 Co4 H50 K10 O93 W18 -","- As2 Co4 K10 O92 W18 -","- As4 Co8 K20 O184 W36 -","2","0.5","QA0022","Timothy J.R. Weakley","Potassium Bis(α-nonatungstoarsenato)diaquatetracobaltate(II) 23-Hydrate, K~10~[Co~4~(H~2~O)~2~(AsW~9~O~34~)~2~].23H~2~O","Acta Crystallographica Section C","1997","53","11","IUC9700025","","10.1107/S010827019709937X","","","0.71073","MoKα","","","0.0367","","","0.0402","","","","","1.825","1.825","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006722","6.967","0.005","18.876","0.009","10.157","0.006","90","","92.9","0.2","90","","1334","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1-diethyl-3-(4-methylbenzoyl)thiourea","","- C13 H18 N2 O S -","- C13 H18 N2 O S -","- C52 H72 N8 O4 S4 -","4","1","QB0010","Angel Dago Morales; Santiago García-Granda; Yolanda Rodríguez Esteva; Ana Plutín Stevens; Gerardo Alexis Acosta Crespo","1,1-Diethyl-3-(4-methylbenzoyl)thiourea","Acta Crystallographica Section C","1997","53","11","IUC9700019","","10.1107/S0108270197099344","","","0.71073","MoKα","","0.1165","0.0429","","0.122","0.0987","","","","1.026","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006723","9.4775","0.0001","11.1589","0.0002","10.7089","0.0002","90","","111.505","0.001","90","","1053.71","0.03","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","2,4,6-Triphenyl-1,2,5,6-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C50 H48 N4 O4 -","2","1","QB0017","Bolte, Michael","Ethyl 2,4,6-Triphenyl-1,2,5,6-tetrahydropyrimidine-5-carboxylate at 173K","Acta Crystallographica Section C","1997","53","11","IUC9700020","","10.1107/S0108270197099332","","","0.71073","MoKα","","0.0352","0.0349","","0.0888","0.0885","","","","1.076","1.078","1.078","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006724","7.446","0.006","11.41","0.007","6.44","0.01","103.83","0.08","92.3","0.1","82.07","0.06","526.2","1","295","","","","","","","","","","","5","P -1","-P 1","2","","Rubidium hydrogen bis(dichloroacetate)","","- C4 H3 Cl4 O4 Rb -","- C4 H3 Cl4 O4 Rb -","- C8 H6 Cl8 O8 Rb2 -","2","1","QB0023","Yoshida, Tadanori; Kashino, Setsuo","Rubidium Hydrogen Bis(dichloroacetate)","Acta Crystallographica Section C","1997","53","11","IUC9700021","","10.1107/S0108270197099368","","","0.71073","MoKα","","","0.031","","","","0.033","","","","","","1.22","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006725","5.2107","0.0008","9.91","0.001","13.065","0.002","90","","98.1","0.01","90","","667.92","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","t-butyl carbamate","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C20 H44 N4 O8 -","4","1","QB0024","Bursavich, Matthew G.; Fronczek, Frank R.","<i>tert</i>-Butyl Carbamate at 100K","Acta Crystallographica Section C","1997","53","11","IUC9700022","","10.1107/S0108270197099320","","","0.71073","Mo-Kα","","0.065","0.045","","0.042","0.041","","","","1.612","1.602","1.602","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006726","8.05","0.001","12.49","0.002","20.193","0.004","90","","95.97","0.01","90","","2019.3","0.6","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H48 Ca Cu2 N14 O4 S6 -","- C22 H48 Ca Cu2 N14 O4 S6 -","- C44 H96 Ca2 Cu4 N28 O8 S12 -","2","0.5","SK1074","Lu, Tian-Huey; Lin, Jyh-Liong; Lan, Wei-Jen; Chung, Chung-Sun","Bis[(1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)(thiocyanato-<i>S</i>)copper(II)] Diaquatetrakis(isothiocyanato-<i>N</i>)calcate(2‒) Dihydrate","Acta Crystallographica Section C","1997","53","11","1598","1600","10.1107/S0108270197008639","","","0.71073","MolybdenumKα","","0.026","0.026","","0.028","0.028","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006727","22.806","0.007","6.45","0.002","5.813","0.002","90","","90","","90","","855.1","0.5","213","0.2","213","0.2","","","","","","","","3","C m c 21","C 2c -2","36","heptamethylenediamine","1,7-diaminoheptane","","- C7 H18 N2 -","- C7 H18 N2 -","- C28 H72 N8 -","4","0.5","SK1075","Gotthardt, Roger; Fuhrhop, Jürgen-Hinrich; Buschmann, Jürgen; Luger, Peter","Heptamethylenediamine at 213K","Acta Crystallographica Section C","1997","53","11","1715","1717","10.1107/S0108270197006471","","","1.5418","CuKα,Nifilter","","0.057","0.0493","","0.156","0.1471","","","","1.069","1.109","1.109","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006728","10.305","0.003","22.511","0.007","9.641","0.003","90","","83.25","0.02","90","","2221","1.2","293","2","190","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2'-bipyridine)flavonolatocopper(II) perchlorate","","- C25 H17 Cl Cu N2 O7 -","- C25 H17 Cl Cu N2 O7 -","- C100 H68 Cl4 Cu4 N8 O28 -","4","1","SK1079","Lippai, István; Speier, Gábor; Huttner, Gottfried; Zsolnai, László","(2,2'-Bipyridine)(flavonolato)copper(II) Perchlorate, [Cu(bpy)(fla)]ClO~4~","Acta Crystallographica Section C","1997","53","11","1547","1549","10.1107/S0108270197005568","","","0.71073","MoKα","","0.0591","0.0534","","0.1666","0.1624","","","","1.852","1.911","1.911","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006729","10.211","0.002","8.285","0.001","19.539","0.003","90","","99.32","0.01","90","","1631.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Amino-7-(4-morpholinobutyl)-1,3-dimethyl-3,7-dihydro-1H-purine- 2,6-dione","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C60 H96 N24 O12 -","4","1","SK1110","Karczmarzyk, Zbigniew; Pawłowski, Maciej","8-Amino-7-(4-morpholinobutyl)theophylline","Acta Crystallographica Section C","1997","53","11","1650","1653","10.1107/S0108270197006483","","","1.54184","CuKα","","0.0565","0.0486","","0.1514","","0.1457","","","1.007","","","1.039","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006730","9.157","0.003","10.815","0.003","10.855","0.004","75.78","0.01","85.9","0.01","84.42","0.01","1035.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(1-Amino-2-diphenylphosphinobenzene)tetracarbonylmolybdenum(0)","","- C22 H16 Mo N O4 P -","- C22 H16 Mo N O4 P -","- C44 H32 Mo2 N2 O8 P2 -","2","1","SK1116","Dahlenburg, Lutz; Herbst, Konrad; Liehr, Günter","Tetracarbonyl[2-(diphenylphosphino)aniline-<i>N</i>,<i>P</i>]molybdenum(0)","Acta Crystallographica Section C","1997","53","11","1545","1547","10.1107/S0108270197007518","","","0.7107","MoKα","","0.034","0.029","","0.058","0.056","","","","1.129","1.156","1.156","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006731","7.1807","0.0001","10.8165","0.0002","12.6864","0.0002","90","","90","","90","","985.35","0.03","143","","143","","","","","","","","","5","P m n 21","P 2ac -2","31","","N-Hydro-4-methylpyridinium Pentachloro(4-methylpyridino)titanate(IV) Acetonitrile at 143K","","- C14 H18 Cl5 N3 Ti -","- C14 H18 Cl5 N3 Ti -","- C28 H36 Cl10 N6 Ti2 -","2","0.5","SK1120","Hensen, Karl; Pickel, Peter; Lemke, Alexander; Bolte, Michael","4-Methylpyridinium Pentachloro(4-methylpyridine-<i>N</i>)titanate(IV) Acetonitrile Solvate at 143K","Acta Crystallographica Section C","1997","53","11","1583","1585","10.1107/S0108270197008949","","","0.71073","MoKα","","0.0548","0.0379","","0.0735","0.0681","","","","1.072","1.094","1.094","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006732","13.303","0.001","13.365","0.001","15.493","0.001","90","","90","","90","","2754.6","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Acetyl-ΔPhe-L-Ala-ΔPhe-D-Ala-Methylester","","- C27 H30 N4 O6 -","- C27 H30 N4 O6 -","- C108 H120 N16 O24 -","4","1","SX1026","Tuzi, Angela; Fissi, Adriano; Pieroni, Osvaldo","Acetyl-ΔPhe-<small>L</small>-Ala-ΔPhe-<small>D</small>-Ala Methyl Ester","Acta Crystallographica Section C","1997","53","11","1696","1698","10.1107/S0108270197007051","","","1.5418","CuKα","","0.054","0.046","","","0.063","","","","","1.87","1.87","","","","","has coordinates","208453","2020-10-21","18:00:00",""
"2006733","6.6176","0.0009","8.38","0.0005","47.742","0.0005","89.99","0.02","90.497","0.01","90.02","0.03","2647.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-myristic acid 3-tert-butoxycarbonylamino-2-oxo-piperidin-5-yl ester","","- C24 H44 N2 O5 -","- C24 H44 N2 O5 -","- C96 H176 N8 O20 -","4","1","SX1028","Leopoldo Suescun P.; Raúl A. Mariezcurrena; Álvaro W. Mombrú; Oscar A. González; Eduardo Manta; Sandra Gordon","<i>trans</i>-Myristic Acid 3-<i>tert</i>-Butoxycarbonylamino-2-oxopiperidin-5-yl Ester, a New Anthelmintic Compound","Acta Crystallographica Section C","1997","53","11","1682","1685","10.1107/S0108270197008329","","","0.7107","MoKα","","0.1298","0.0474","","0.1764","0.1366","","","","1.044","1.226","1.226","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006734","8.892","0.002","11.261","0.003","16.681","0.005","90","","93.7","0.02","90","","1666.8","0.8","293","2","","","","","","","","","","3","P 1 21 1","","","1-Hydroxybaccatin I","","","- C32 H44 O14 -","- C32 H44 O14 -","- C64 H88 O28 -","2","1","SX1035","Davide Viterbo; Marco Milanesio; Giovanni Appendino; Sunil K. Chattopadhyay; Gour C. Saha","1-Hydroxybaccatin I, C~32~H~44~O~14~, and 2-Deacetoxydecinnamoyltaxinine J, C~28~H~40~O~9~","Acta Crystallographica Section C","1997","53","11","1687","1690","10.1107/S0108270197009256","","","0.71069","MoKα","","","0.0577","","","0.1507","","","","","1.067","1.067","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006735","10.723","0.003","14.354","0.003","18.592","0.004","90","","90","","90","","2861.6","1.2","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-deacetoxydecinnamoyltaxinine J","","","- C28 H40 O9 -","- C28 H40 O9 -","- C112 H160 O36 -","4","1","SX1035","Davide Viterbo; Marco Milanesio; Giovanni Appendino; Sunil K. Chattopadhyay; Gour C. Saha","1-Hydroxybaccatin I, C~32~H~44~O~14~, and 2-Deacetoxydecinnamoyltaxinine J, C~28~H~40~O~9~","Acta Crystallographica Section C","1997","53","11","1687","1690","10.1107/S0108270197009256","","","0.71069","MoKα","","","0.0553","","","0.1289","","","","","1.125","1.125","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2006736","13.497","0.005","4.5178","0.0011","13.211","0.004","90","","118.8","0.02","90","","705.9","0.4","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","TA1089","Gainsford, Graeme J.; Miller, Ian J.; Yorke, Selwyn C.; Rae, A. David","Pseudosymmetry in 2,5-Dimethyl-1,4-benzenediol","Acta Crystallographica Section C","1997","53","11","1673","1675","10.1107/S0108270197007191","","","0.71069","MoKα","","0.056","0.037","","0.094","0.086","","","","0.975","1.075","1.075","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006737","10.923","0.004","11.114","0.001","13.548","0.004","90","","99.52","0.01","90","","1622.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Calcium Potassium Tris(oxalato)chromate(III) Pentahydrate","","- C6 H10 Ca Cr K O17 -","- C6 H10 Ca Cr K O17 -","- C24 H40 Ca4 Cr4 K4 O68 -","4","1","TA1140","Masters, Vanessa; Gahan, Lawrence R.; Kennard, Colin H. L.","Calcium Potassium Tris(oxalato-<i>O</i>^1^,<i>O</i>^2^)chromate(III) Pentahydrate","Acta Crystallographica Section C","1997","53","11","1576","1577","10.1107/S0108270197007762","","","0.71073","MoKα","","0.038","0.032","","0.091","0.087","","","","1.072","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006738","9.3529","0.0008","9.3529","0.0008","29.292","0.004","90","","90","","120","","2219.1","0.4","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Cs5 Mo21 S23 -","- Cs5 Mo21 S23 -","- Cs10 Mo42 S46 -","2","0.166667","TA1146","Picard, S.; Gougeon, P.; Potel, M.","Cs~5~Mo~21~S~23~","Acta Crystallographica Section C","1997","53","11","1519","1521","10.1107/S010827019700752X","","","0.71073","MoKα","","0.0669","0.0284","","0.0912","0.0881","","","","1.107","1.278","1.278","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006739","13.32","0.003","7.729","0.002","14.785","0.002","90","","90.256","0.014","90","","1522.1","0.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","calcium yttrium silicate","","","- Ca3 O18 Si6 Y2 -","- Ca2.997 O18 Si6 Y1.999 -","- Ca11.988 O72 Si24 Y7.996 -","4","0.5","TA1157","Yamane, Hisanori; Nagasawa, Toru; Shimada, Masahiko; Endo, Tadashi","Ca~3~Y~2~(Si~3~O~9~)~2~","Acta Crystallographica Section C","1997","53","11","1533","1536","10.1107/S010827019700721X","","","0.71069","MoKα","","0.0327","0.0212","","0.0629","0.0577","","","","1.063","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006740","5.3907","0.0011","12.68","0.002","29.152","0.005","90","","90","","90","","1992.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl N2 O8 -","- C18 H23 Cl N2 O8 -","- C72 H92 Cl4 N8 O32 -","4","1","VJ1040","N. Srinivasan; R.K. Rajaram","<small>L</small>-Phenylalanine <small>L</small>-Phenylalaninium Perchlorate","Acta Crystallographica Section C","1997","53","11","1711","1713","10.1107/S0108270197000577","","","0.71073","MoKα","","0.0789","0.0463","","0.2354","0.1016","","","","1.074","1.151","1.151","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006741","10.231","0.004","22.752","0.007","4.817","0.002","90","","90","","90","","1121.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C40 H52 N20 O12 -","4","1","VJ1055","P. Karthe; N. Gautham; Anil Kumar; S.B. Katti","β-<small>D</small>-3'-Deoxyadenosine (Cordycepin)","Acta Crystallographica Section C","1997","53","11","1694","1696","10.1107/S0108270197007361","","","0.7107","MoKα","","0.1311","0.0539","","0.1281","0.091","","","","0.844","0.841","0.841","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006742","16.001","0.001","11.821","0.003","9.641","0.001","90","","98.53","0.03","90","","1803.4","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","trans-(±)-N,N'-Bis(salicylidene)-1,2-cyclohexane-diamine","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","VJ1061","Qiancai Liu; Mengxian Ding; Yonghua Lin; Yan Xing","<i>trans</i>-(±)-<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-cyclohexanediamine","Acta Crystallographica Section C","1997","53","11","1671","1673","10.1107/S0108270197008640","","","0.71073","MoKα","","0.0638","0.037","","0.0845","0.0765","","","","0.869","1.014","1.014","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006743","14.762","0.003","5.832","0.002","4.039","0.002","90","","112.78","0.02","90","","320.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","p-dichlorobenzene","","- C6 H4 Cl2 -","- C6 H4 Cl2 -","- C12 H8 Cl4 -","2","0.5","AB1477","Estop, Eugènia; Alvarez-Larena, Angel; Belaaraj, Abdesselam; Solans, Xavier; Labrador, Manuel","α-Phase <i>p</i>-Dichlorobenzene at 293K","Acta Crystallographica Section C","1997","53","12","1932","1935","10.1107/S0108270197007737","","","0.71069","MoKα","","0.0498","0.0495","","0.1361","0.1355","","","","1.069","1.068","1.068","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006744","14.341","0.001","15.206","0.001","17.716","0.002","90","","90","","90","","3863.3","0.6","213","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","11S,12S-trans-N,N'-dicyclohexyl-9,10-dihydro-9,10-ethanoanthracene- 11,12-dicarboxamide.cyclohexylamine.dimethylformamide. hydrogen chloride (1:1:1:1)","","- C39 H57 Cl N4 O3 -","- C39 H57 Cl N4 O3 -","- C156 H228 Cl4 N16 O12 -","4","1","AB1479","Helmle, Olga Formerly Olga Gallardo.; Csöregh, Ingeborg; Hens, Thomas; Weber, Edwin","Solid Inclusion Compounds of Chiral Roof-Shaped Diamide Hosts","Acta Crystallographica Section C","1997","53","12","1892","1895","10.1107/S0108270197011335","","","0.71073","MoKα","","0.167","0.084","","0.108","","0.095","","","","","","1.69","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006745","10.004","0.003","9.966","0.003","32.06","0.01","90","","90","","90","","3196.4","1.7","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","11S,12S-trans-N,N'-di-t-butyl-9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxamide. dimethyl sulfuroxide.hydrogen oxide (1:2:1)","","- C30 H46 N2 O5 S2 -","- C30 H46 N2 O5 S2 -","- C120 H184 N8 O20 S8 -","4","1","AB1479","Helmle, Olga Formerly Olga Gallardo.; Csöregh, Ingeborg; Hens, Thomas; Weber, Edwin","Solid Inclusion Compounds of Chiral Roof-Shaped Diamide Hosts","Acta Crystallographica Section C","1997","53","12","1892","1895","10.1107/S0108270197011335","","","0.71073","MoKα","","0.163","0.088","","0.153","","0.108","","","0","","","2.193","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006746","13.972","0.006","10.557","0.004","18.596","0.014","90","","107.16","0.02","90","","2621","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(8R/8S)-8-Phenyl-6-[trans-(1R/1S,2S/2R)-2-phenylcyclohexoxy]-5,8-dihydro-2H- [1,2,4]-triazolo-[1,2-a]-pyridazin-1,3-dione-water(1/1).","","- C30 H31 N3 O4 -","- C30 H31 N3 O4 -","- C120 H124 N12 O16 -","4","1","AB1480","Santiago García-Granda; Rafael Santiago-García; Angel Suárez-Sobrino; Luis Angel López","(5<i>R</i>/5<i>S</i>)-2,5-Diphenyl-7-[<i>trans</i>-(1<i>R</i>/1<i>S</i>,2<i>S</i>/2<i>R</i>)-2-phenylcyclohexyloxy]-2,3,5,8-tetrahydro-1<i>H</i>-1,2,4-triazolo[1,2-<i>a</i>]pyridazine-1,3-dione‒Water (1/1): a Face-Selective Diels‒Alder Reaction of 2-Alkoxy-1,3-butadiene","Acta Crystallographica Section C","1997","53","12","1941","1943","10.1107/S0108270197007853","","","0.71073","MoKα","","0.19","0.0548","","0.1855","0.134","","","","1.011","1.175","1.175","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006747","12.4501","0.0009","18.6708","0.0011","7.984","0.0009","90","","90","","90","","1855.9","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O4 Pt -","- C16 H28 N2 O4 Pt -","- C64 H112 N8 O16 Pt4 -","4","1","AB1481","Yuge, Hidetaka; Miyamoto, Takeshi Ken","Dual Behaviour of Acetylacetonate Anions in the Hydrogen-Bonded Supramolecular Structure (Acetylacetonato-<i>O</i>,<i>O</i>')[<i>trans</i>-(1<i>R</i>,2<i>R</i>)-diaminocyclohexane-<i>N</i>,<i>N</i>']platinum(II) Acetylacetonate","Acta Crystallographica Section C","1997","53","12","1816","1819","10.1107/S0108270197010792","","","0.71069","MoKα","","","0.0309","","","0.0615","0.0657","","","","1.028","1.028","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006748","7.634","0.004","8.243","0.009","8.507","0.007","69.1","0.08","64.97","0.05","72.96","0.07","446.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(Acetyl)-3-(5-cyano-2-furyl)propenenitrile","","- C10 H6 N2 O2 -","- C10 H6 N2 O2 -","- C20 H12 N4 O4 -","2","1","AB1486","Viktor Vrábel; Július Sivý; Štefan Marchalín","2-Acetyl-3-(5-cyano-2-furyl)propenenitrile","Acta Crystallographica Section C","1997","53","12","1926","1927","10.1107/S0108270197010809","","","0.71069","MoKα","","0.0882","0.0384","","0.0973","0.09","","","","0.941","1.196","1.196","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006749","7.552","0.003","8.172","0.001","15.624","0.003","90","","99.29","0.02","90","","951.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-methyl-5,8-dioxo-5,8-dihydro-furo[3,2-g]chromone","","- C12 H6 O5 -","- C12 H6 O5 -","- C48 H24 O20 -","4","1","AB1487","Yakoubi, Abderrahman; Jalel Eddine Hila; Habib, Boughzala; Bizid, Abdelmalek","The Khellin Quinone","Acta Crystallographica Section C","1997","53","12","1949","1950","10.1107/S0108270197010160","","","0.71069","MoKα","","0.0799","0.0464","","0.1205","0.1035","","","","1.093","1.19","1.19","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006750","10.64","0.002","5.987","0.002","12.726","0.003","90","","104.556","0.003","90","","784.6","0.4","294","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O2 -","- C8 H12 O2 -","- C32 H48 O8 -","4","1","AB1495","Ülkü, Dinçer; Tahir, M. Nawaz; Tanyeli, Cihangir; Demir, Ayhan S.; Dikici, Emre","2-Hydroxy-5,5-dimethylcyclohex-2-en-1-one","Acta Crystallographica Section C","1997","53","12","1998","1999","10.1107/S0108270197012079","","","0.71069","MoKα","","","0.048","","","0.054","","","","","0.85","0.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006751","10.903","0.002","8.603","0.002","26.175","0.005","90","","90","","90","","2455.2","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","N^1^, N^2^-Diphenylacetamidine","","","- C14 H14 N2 -","- C14 H14 N2 -","- C112 H112 N16 -","8","1","AB1499","Phillips, Paul R.; Barker, James; Errington, William; Wallbridge, Malcolm G.H.","<i>N</i>^1^,<i>N</i>^2^-Diphenylacetamidine","Acta Crystallographica Section C","1997","53","12","1968","1971","10.1107/S0108270197011347","","","0.71073","MoKα","","0.1382","0.0453","","0.1079","0.0926","","","","0.672","1.117","1.117","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006752","18.676","0.005","12.553","0.004","16.657","0.003","90","","130.134","0.008","90","","2985.6","1.4","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-poly[cadmium(II)-[bis-μ-(1,3-di-(4-pyridyl)propane-N:N') -μ-cyano-C,N-silver(I)-μ-cyano-C,N]]","","- C30 H28 Ag2 Cd N8 -","- C30 H28 Ag2 Cd N8 -","- C120 H112 Ag8 Cd4 N32 -","4","0.5","AV1010","Soma, Takayoshi; Iwamoto, Toschitake","Doubly Interpenetrating Three-Dimensional Framework Structure of <i>trans</i>-[Cd(dppn)~2~{Ag(CN)~2~}~2~]~<i>n~</i> [dppn = 1,3-Di(4-pyridyl)propane]","Acta Crystallographica Section C","1997","53","12","1819","1821","10.1107/S0108270197010196","","","0.71069","MoKα","","","0.0574","","","0.0488","","","","","0.93","0.93","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006753","22.5535","0.0001","10.4998","0.0001","12.1717","0.0002","90","","96.116","0.001","90","","2865.94","0.06","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(diphenylphosphine oxide)ferrocene Monohydrate at 173 K","","- C34 H30 Fe O3 P2 -","- C34 H30 Fe O3 P2 -","- C136 H120 Fe4 O12 P8 -","4","1","AV1015","Bolte, Michael; Naumann, Frank; Hashmi, A. Stephen K.","A New Modification of 1,1'-Bis(diphenylphosphine oxide)ferrocene at 173K","Acta Crystallographica Section C","1997","53","12","1785","1786","10.1107/S0108270197011207","","","0.71073","MoKα","","0.109","0.074","","0.142","0.13","","","","1.123","1.203","1.203","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2006754","10.5075","0.0015","10.6251","0.0015","23.407","0.003","90","","90","","90","","2613.2","0.6","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[8S-[7[R*(R*)],8R*]]-7-[2-[[1-(ethoxycarbonyl)-3- phenylpropyl]-amino]-1-oxopropyl]-1,4-dithia-7- azaspiro[4.4]nonane-8-carboxylic acid hydrochloride","","- C22 H33 Cl N2 O6 S2 -","- C22 H33 Cl N2 O6 S2 -","- C88 H132 Cl4 N8 O24 S8 -","4","1","BK1260","Xu, Wei; Wahle, Mark C.; Stowell, Joseph G.; Byrn, Stephen R.","Spirapril Hydrochloride Hydrate","Acta Crystallographica Section C","1997","53","12","1917","1919","10.1107/S0108270197008287","","","0.71073","MoKα","","0.061","0.04","","0.108","0.092","","","","1.09","1.052","1.052","","","","","has coordinates,has disorder","208466","2020-10-21","18:00:00",""
"2006755","14.493","0.002","14.493","0.002","10.191","0.002","90","","90","","120","","1853.8","0.5","130","2","130","2","","","","","","","","5","P 32","P 32","145","pyridinium trifluoroacetate","","","- C7 H6 F3 N O2 -","- C7 H6 F3 N O2 -","- C63 H54 F27 N9 O18 -","9","3","BK1317","Palmore, G. Tayhas R.; McBride-Wieser, Mary T.","Pyridinium Trifluoroacetate: Spoked Columns of Hydrogen-Bonded Cyclic Dimers","Acta Crystallographica Section C","1997","53","12","1904","1907","10.1107/S0108270197009414","","","0.71073","MoKα","","0.0303","0.028","","0.126","0.0734","","","","1.057","1.069","1.069","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006756","15.018","0.007","17.517","0.004","8.226","0.004","90","","90","","90","","2164","1.5","150","","150","","","","","","","","","4","F m m 2","F 2 -2","42","","Bis[pentamethylcyclopentadiene]dibromothorium(IV)","","- C20 H30 Br2 Th -","- C20 H30 Br2 Th -","- C80 H120 Br8 Th4 -","4","0.25","BK1342","Rabinovich, Daniel; Schimek, George L.; Pennington, William T.; Nielsen, Jon B.; Abney, Kent D.","Dibromobis(η^5^-pentamethylcyclopentadienyl)thorium(IV)","Acta Crystallographica Section C","1997","53","12","1794","1797","10.1107/S0108270197010056","","","0.71073","MoKα","","0.0313","0.031","","0.0342","0.034","","","","","2.28","2.28","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006757","11.5747","0.0013","10.7639","0.0007","7.2556","0.0007","90","","90","","90","","903.97","0.15","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cadmium glutamate dihydrate","","- C5 H11 Cd N O6 -","- C5 H11 Cd N O6 -","- C20 H44 Cd4 N4 O24 -","4","1","BK1343","Tomlin, David W.; Cooper, Thomas M.; Cline, Stephen M.; Hughes, John M.; Adams, W. Wade","Cadmium Glutamate Dihydrate","Acta Crystallographica Section C","1997","53","12","1815","1816","10.1107/S0108270197009426","","","0.71073","Mo","","","0.014","","","","0.02","","","","","","0.91","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2006758","7.027","0.004","12.436","0.003","14.39","0.004","90","","93.95","0.04","90","","1254.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,4-Dinitro-N,N-methylphenylamine","","- C13 H11 N3 O4 -","- C13 H11 N3 O4 -","- C52 H44 N12 O16 -","4","1","BM1140","Ellena, Javier; Punte, Graciela; Norma S. Nudelman","2,4-Dinitro-<i>N</i>,<i>N</i>-methylphenylaniline","Acta Crystallographica Section C","1997","53","12","1930","1932","10.1107/S0108270197007403","","","0.71073","MoKα","","0.1037","0.0449","","0.1574","0.107","","","","1.102","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006759","5.717","0.01","10.051","0.013","29.07","0.03","90","","90","","90","","1670","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-O-isopropylidene-5-O-p-tosyl-α-D-xylofuranose","","- C15 H20 O7 S -","- C15 H20 O7 S -","- C60 H80 O28 S4 -","4","1","BM1152","Philip J. Cox; R. Alan Howie; Helena Rufino; James L. Wardell","Two Tosylated 1,2-<i>O</i>-Isopropylidene-α-<small>D</small>-xylofuranoses","Acta Crystallographica Section C","1997","53","12","1939","1941","10.1107/S0108270197010810","","","0.71073","MoKα","","0.106","0.0568","","0.1484","0.1061","","","","1.014","1.153","1.153","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006760","6.391","0.006","13.795","0.006","13.967","0.008","90","","100.17","0.06","90","","1212","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2-O-isopropylidene-3,5-di-O-p-tosyl-α-D-xylofuranose","","- C22 H26 O9 S2 -","- C22 H26 O9 S2 -","- C44 H52 O18 S4 -","2","1","BM1152","Philip J. Cox; R. Alan Howie; Helena Rufino; James L. Wardell","Two Tosylated 1,2-<i>O</i>-Isopropylidene-α-<small>D</small>-xylofuranoses","Acta Crystallographica Section C","1997","53","12","1939","1941","10.1107/S0108270197010810","","","0.71069","MoKα","","0.1396","0.0605","","0.1149","0.098","","","","0.968","1.23","1.23","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006761","4.965","0.004","9.728","0.005","18.168","0.012","90","","94.38","0.08","90","","874.9","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","8-hydroxyquinoline-O-sulfuric acid","8-hydroxyquinoline-O-sulfuric acid","","- C9 H7 N O4 S -","- C9 H7 N O4 S -","- C36 H28 N4 O16 S4 -","4","1","BM1154","Popek, Tomasz; Lis, Tadeusz","8-Hydroxyquinoline-<i>O</i>-sulfuric Acid and its Monohydrate","Acta Crystallographica Section C","1997","53","12","1983","1986","10.1107/S0108270197011219","","","0.71069","MoKα","","0.118","0.047","","0.134","0.11","","","","1.021","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006762","7.572","0.004","8.475","0.004","8.567","0.004","111.6","0.05","97.05","0.04","99.53","0.04","493.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","8-hydroxyquinoline-O-sulfuric acid monohydrate","8-hydroxyquinoline-O-sulfuric acid monohydrate","","- C9 H9 N O5 S -","- C9 H9 N O5 S -","- C18 H18 N2 O10 S2 -","2","1","BM1154","Popek, Tomasz; Lis, Tadeusz","8-Hydroxyquinoline-<i>O</i>-sulfuric Acid and its Monohydrate","Acta Crystallographica Section C","1997","53","12","1983","1986","10.1107/S0108270197011219","","","0.71069","MoKα","","0.059","0.035","","0.105","0.092","","","","1.032","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006763","16.876","0.003","14.756","0.002","13.541","0.002","90","","90","","90","","3372","0.9","173","2","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tetrachlorocatecholatochlorotripyridyl indium(III) diethylether solvate","","- C29 H35 Cl5 In N3 O4 -","- C29 H35 Cl5 In N3 O4 -","- C116 H140 Cl20 In4 N12 O16 -","4","0.5","BM1155","Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Mononuclear Indium and Gallium Tetrachlorocatecholate Complexes","Acta Crystallographica Section C","1997","53","12","1805","1809","10.1107/S0108270197010901","","","0.71073","MoKα","","0.0655","0.0456","","0.1213","0.1062","","","","1.169","1.167","1.167","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006764","25.504","0.007","17.64","0.007","18.572","0.004","90","","106.99","0.02","90","","7991","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrachlorocatecholatochloropyridyl(1,10-phenanthroline) gallium (III) pyridine solvate","","- C40.5 H30.5 Cl5 Ga N6.5 O2 -","- C40.5 H30.5 Cl5 Ga N6.5 O2 -","- C324 H244 Cl40 Ga8 N52 O16 -","8","1","BM1155","Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.","Mononuclear Indium and Gallium Tetrachlorocatecholate Complexes","Acta Crystallographica Section C","1997","53","12","1805","1809","10.1107/S0108270197010901","","","0.71073","MoKα","","0.1085","0.0589","","0.1812","0.1528","","","","0.973","1.068","1.068","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2006765","8.967","0.001","9.16","0.002","15.71","0.007","90","","90","","90","","1290.4","0.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-methyl Benzhydrylamine Hydrochloride","","- C14 H16 Cl N -","- C14 H16 Cl N -","- C56 H64 Cl4 N4 -","4","1","BM1158","Andres E. Goeta; Graciela Punte; Blas E. Rivero; Luis Bruno Blanch","<i>N</i>-Methyl- and <i>N</i>-Ethylbenzhydrylamine Hydrochloride","Acta Crystallographica Section C","1997","53","12","1913","1916","10.1107/S0108270197011359","","","0.71073","MoKα","","0.0645","0.0367","","0.0996","0.0818","","","","1.081","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006766","9.615","0.002","9.102","0.002","15.933","0.003","90","","91.13","0.03","90","","1394.1","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-ethyl Benzhydrylamine Hydrochloride","","- C15 H18 Cl N -","- C15 H18 Cl N -","- C60 H72 Cl4 N4 -","4","2","BM1158","Andres E. Goeta; Graciela Punte; Blas E. Rivero; Luis Bruno Blanch","<i>N</i>-Methyl- and <i>N</i>-Ethylbenzhydrylamine Hydrochloride","Acta Crystallographica Section C","1997","53","12","1913","1916","10.1107/S0108270197011359","","","0.71073","MoKα","","0.1071","0.0523","","0.1163","0.0913","","","","1.033","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006767","7.3223","0.0007","7.6708","0.0006","13.216","0.001","105.062","0.009","92.139","0.008","110.002","0.009","667.03","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 N10 O2 -","- C30 H24 N10 O2 -","- C30 H24 N10 O2 -","1","0.5","BM1161","Nieuwenhuyzen, M.; Keyes, T. E.; Gallagher, J. F.; Vos, J. G.","A 2:1 Co-Crystal of Hydroquinone and 3,5-Bis(2-pyridyl)-1,2,4-triazole","Acta Crystallographica Section C","1997","53","12","1873","1875","10.1107/S0108270197009670","","","0.71073","MoKα","","0.076","0.048","","0.123","0.107","","","","1.036","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006768","18.703","0.002","9.955","0.001","15.016","0.001","90","","122.3","0.01","90","","2363.2","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-4-Nitrophenyl-trans-2-aminocyclohexanol","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C96 H128 N16 O24 -","8","1","BM1172","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","<i>N</i>-(4-Nitrophenyl)-<i>trans</i>-2-aminocyclohexanol","Acta Crystallographica Section C","1997","53","12","1865","1867","10.1107/S0108270197010159","","","0.71073","MoKα","","0.0971","0.0387","","0.0956","0.08","","","","0.817","1.035","1.035","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006769","9.233","0.001","15.283","0.001","7.448","0.001","90","","98.08","0.01","90","","1040.54","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Amino-1,6-dimethyl-quinol-2-one Monohydrate","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","BM1174","Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","5-Amino-1,6-dimethyl-1,2-dihydroquinolin-2-one Monohydrate","Acta Crystallographica Section C","1997","53","12","1855","1857","10.1107/S0108270197010767","","","0.71073","MoKα","","0.0502","0.039","","0.1267","0.1208","","","","1.07","1.18","1.18","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006770","6.7468","0.0007","7.4849","0.0008","10.1537","0.001","84.349","0.002","76.61","0.001","74.816","0.002","481.01","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","catena-aquatri(μ-chloro)tetrahydrofuranlanthanum(III)","","- C4 H10 Cl3 La O2 -","- C4 H9 Cl3 La O2 -","- C8 H18 Cl6 La2 O4 -","2","1","BM1180","Woodman, Timothy J.; Errington, William; Willey, Gerald R.","Polymeric Aquatri-μ-chloro-(tetrahydrofuran-<i>O</i>)lanthanum(III)","Acta Crystallographica Section C","1997","53","12","1801","1803","10.1107/S0108270197011165","","","0.71073","MoKα","","0.0562","0.045","","","","0.1085","","","","","","1.042","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006771","29.896","0.002","4.1678","0.0004","28.487","0.002","90","","117.742","0.002","90","","3141.5","0.4","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[3-(4-Bromophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile","","- C18 H14 Br N3 O -","- C18 H14 Br N3 O -","- C144 H112 Br8 N24 O8 -","8","1","BM1183","Malhotra, Sanjay; Parmar, Virinder S.; Errington, William","[3-(4-Bromophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile","Acta Crystallographica Section C","1997","53","12","1885","1887","10.1107/S0108270197011384","","","0.71073","MoKα","","0.081","0.05","","","","0.112","","","","","","1.156","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006772","7.2909","0.0008","8.8019","0.001","9.5696","0.0011","66.754","0.002","73.835","0.002","77.082","0.002","537.44","0.11","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","5,7-Dimethoxy-6-hydroxy-4-methylcoumarin","","- C12 H12 O5 -","- C12 H12 O5 -","- C24 H24 O10 -","2","1","BM1185","Singh, Amarjit; Kumar, Rajesh; Parmar, Virinder S.; Errington, William","6-Hydroxy-5,7-dimethoxy-4-methylcoumarin","Acta Crystallographica Section C","1997","53","12","1966","1968","10.1107/S0108270197011785","","","0.71073","MoKα","","0.079","0.057","","0.119","0.138","","","","1.15","1.15","1.15","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006773","5.8346","0.0003","12.0877","0.0008","15.0908","0.0009","90","","90","","90","","1064.31","0.11","293","","300","","","","","","","","","4","I m m m","-I 2 2","71","","strontium doped hexa barium hepta magnesium fluoride","","- Ba5.24 F26 Mg7 Sr0.76 -","- Ba5.26 F26 Mg7 Sr0.74 -","- Ba10.52 F52 Mg14 Sr1.48 -","2","0.125","BR1171","Kubel, Frank; Hagemann, Hans; Bill, Hans","Mixed Ba~5.24~Sr~0.76~Mg~7~F~26~","Acta Crystallographica Section C","1997","53","12","1735","1738","10.1107/S0108270197009931","","","1.54183","CuKα","","0.032","0.031","","0.028","0.028","","","","3.756","3.787","3.787","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006774","9.332","0.003","9.332","","11.264","0.002","90","","90","","120","","849.5","0.3","296.2","","296.2","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","tetra calcium platinum(IV) oxide","","- Ca4 O6 Pt -","- Ca4 O6 Pt -","- Ca24 O36 Pt6 -","6","0.166667","BR1172","Claridge, John Bleddyn; Layland, Ralph Charles; zur Loye, Hans-Conrad","Ca~4~PtO~6~","Acta Crystallographica Section C","1997","53","12","1740","1741","10.1107/S0108270197011700","","","0.7107","MoKα","","","0.0424","","","0.0494","","","","","3.282","3.282","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006775","11.1104","0.0002","11.1104","0.0002","11.1104","0.0002","90","","90","","90","","1371.48","0.04","293","","293","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","iron tungsten nitride","","- Fe3 N W3 -","- Fe2.5 N0.5 W6 -","- Fe40 N8 W96 -","16","0.0833333","BR1183","Weil, Kenneth S.; Kumta, Prashant N.","Fe~3~W~3~N: a Rietveld Refinement Using X-ray Powder Diffraction","Acta Crystallographica Section C","1997","53","12","1745","1748","10.1107/S0108270197008305","","","","Cu","","","","","","","","","","1.3907","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006776","6.05098","0.00005","6.05098","0.00005","7.19498","0.00009","90","","90","","120","","228.145","0.004","295","","295","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","zinc dihydroxide divanadate dihydrate","","- H6 O11 V2 Zn3 -","- H2 O10.9998 V2 Zn3 -","- H2 O10.9998 V2 Zn3 -","1","0.0833333","BR1188","Zavalij, Peter Y.; Zhang, Fan; Whittingham, M. Stanley","A New Zinc Pyrovanadate, Zn~3~(OH)~2~V~2~O~7~.2H~2~O, from X-ray Powder Data","Acta Crystallographica Section C","1997","53","12","1738","1739","10.1107/S0108270197009700","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006777","9.515","0.001","12.782","0.001","16.467","0.002","83.94","0.01","88.95","0.01","80.68","0.01","1965.2","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Tricyclohexylphosphinecarbondisulfide Tricyclohexylphosphinodithioformate, tricyclohexylphosphoniodithiocarboxylate, tricyclohexylphosphinemethanedithiolate, tricyclohexylphosphinodithiocarbamate, tricyclohexylphosphoniocarbodithioate,","Tricyclohexylphosphinodithioformate","","- C19 H33 P S2 -","- C19 H33 P S2 -","- C76 H132 P4 S8 -","4","2","BS1026","Vittal, Jagadese J.; Dean, Philip A.W.","Tricyclohexylphosphoniodithioformate","Acta Crystallographica Section C","1997","53","12","1879","1881","10.1107/S0108270197008755","","","0.71073","MoKα","","0.0586","0.0436","","0.1206","0.1139","","","","0.978","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006778","8.91","0.002","3.973","0.004","37.261","0.002","90","","92.9","0.01","90","","1317.3","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-cyano-2-p-bromophenyl-1,8a-azulene","1-cyano-2-p-bromophenyl-1,8a-azulene","","- C17 H10 Br N -","- C17 H10 Br N -","- C68 H40 Br4 N4 -","4","1","BS1032","Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Mirlach, Albert","1-Cyano-2-<i>p</i>-bromophenylazulene and 2-Azulenylmethyl 2-Anthraquinoate","Acta Crystallographica Section C","1997","53","12","1907","1909","10.1107/S0108270197009839","","","1.54178","CuKα","","0.0579","0.0376","","0.1215","0.1088","","","","1.141","1.191","1.191","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006779","7.441","0.006","41.869","0.006","5.934","0.007","90","","90","","90","","1849","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-azulene-methano-2-anthraquinoate","2-azulene-methano-2-anthraquinoate","","- C26 H16 O4 -","- C26 H16 O4 -","- C104 H64 O16 -","4","1","BS1032","Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Mirlach, Albert","1-Cyano-2-<i>p</i>-bromophenylazulene and 2-Azulenylmethyl 2-Anthraquinoate","Acta Crystallographica Section C","1997","53","12","1907","1909","10.1107/S0108270197009839","","","0.71069","MoKα","","0.0836","0.0384","","0.1234","0.0834","","","","1.255","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006780","21.3183","0.0005","5.6751","0.0002","22.505","0.0004","90","","90","","90","","2722.73","0.13","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","2","BS1033","Abboud, Khalil A.; Ocampo, Rogelio; Dolbier Jr, William R.","α,α-Difluoro-β-lactone and its Non-Fluorinated Analog","Acta Crystallographica Section C","1997","53","12","1923","1926","10.1107/S0108270197010020","","","0.71073","MoKα","","0.059","0.048","","0.113","0.104","","","","1.08","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006781","6.154","0.001","13.484","0.002","17.732","0.003","90","","90","","90","","1471.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F2 O2 -","- C17 H14 F2 O2 -","- C68 H56 F8 O8 -","4","1","BS1033","Abboud, Khalil A.; Ocampo, Rogelio; Dolbier Jr, William R.","α,α-Difluoro-β-lactone and its Non-Fluorinated Analog","Acta Crystallographica Section C","1997","53","12","1923","1926","10.1107/S0108270197010020","","","0.71073","MoKα","","0.072","0.034","","0.07","0.06","","","","1.05","1.24","1.24","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006782","8.87","0.002","11.956","0.003","13.699","0.003","90","","103.48","0.02","90","","1412.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H26 Cr N9 S4 -","- C20 H26 Cr N9 S4 -","- C40 H52 Cr2 N18 S8 -","2","0.5","BS1039","María Teresa Garland; Ricardo F. Baggio; Florence Berezovsky; Jean Sala Pala","A Chromium(III) 2,2'-Bipyrimidine (bipym) Complex, (Et~4~N)[Cr(NCS)~4~(bipym)]","Acta Crystallographica Section C","1997","53","12","1803","1805","10.1107/S0108270197010858","","","0.71073","MoKα","","0.0809","0.046","","0.1467","0.1062","","","","0.982","0.999","0.999","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006783","11.578","0.005","22.385","0.01","13.062","0.006","90","","104.21","0.04","90","","3282","3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-di-(ethoxy-ethoxy-methoxy)calix[4]arene","","- C38 H44 O8 -","- C38 H44 O8 -","- C152 H176 O32 -","4","1","CF1134","Guelzim, Abdelhalim; Khrifi, Saâd; Baert, Francois; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques","1,3-Di(ethoxy-ethoxy-methoxy)calix[4]arene","Acta Crystallographica Section C","1997","53","12","1958","1960","10.1107/S0108270197007105","","","0.7107","MoKα","","0.1157","0.0679","","0.0636","0.0591","","","","1.897","2.295","2.295","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006784","7.288","0.002","10.287","0.007","5.071","0.003","90","","90","","90","","380.2","0.4","103","","103","","","","","","","","","3","P n m a","-P 2ac 2n","62","pyrrole","1-aza-cyclopentadiene","","- C4 H5 N -","- C4 H5 N -","- C16 H20 N4 -","4","0.5","CF1172","Richard Goddard; Oliver Heinemann; Carl Krüger","Pyrrole and a Co-crystal of 1<i>H</i>- and 2<i>H</i>-1,2,3-Triazole","Acta Crystallographica Section C","1997","53","12","1846","1850","10.1107/S0108270197009682","","","0.71069","MoKα","","0.0815","0.0584","","0.1509","0.1436","","","","0.97","1.104","1.104","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006785","9.3307","0.0001","19.372","0.003","3.6982","0.0009","90","","90","","90","","668.47","0.19","193","","193","","","","","","","","","3","A m a 2","A 2 -2a","40","1,2,3-triazole","1H-1,2,3-triazole 2H-1,2,3-triazole cocrystal","","- C4 H6 N6 -","- C4 H6 N6 -","- C16 H24 N24 -","4","0.5","CF1172","Richard Goddard; Oliver Heinemann; Carl Krüger","Pyrrole and a Co-crystal of 1<i>H</i>- and 2<i>H</i>-1,2,3-Triazole","Acta Crystallographica Section C","1997","53","12","1846","1850","10.1107/S0108270197009682","","","0.71069","MoKα","","0.0637","0.0588","","0.1681","0.1624","","","","1.14","1.157","1.157","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006786","8.779","0.001","9.942","0.002","12.385","0.002","71.84","0.01","74.2","0.01","87.29","0.01","987.5","0.3","110","3","110","3","","","","","","","","5","P -1","-P 1","2","1,4,8,11-(tetra-2-carboxyethyl)-1,4,8,11-tetraazacyclotetradecane (H~2~TETP)^2-^, 2Na^+^.16H~2~O","H2TETP","","- C22 H70 N4 Na2 O24 -","- C22 H70 N4 Na2 O24 -","- C22 H70 N4 Na2 O24 -","1","0.5","CF1178","Valérie Dahaoui-Gindrey; Slimane Dahaoui; Claude Lecomte; Frédéric Barbette; Roger Guilard","Disodium Hexadecahydrate Diprotonated Form of 1,4,8,11-Tetra(2-carboxy)ethyl-1,4,8,11-tetraazacyclotetradecane (H~2~TETP)^2{-^} at 110 K","Acta Crystallographica Section C","1997","53","12","1797","1799","10.1107/S0108270197009694","","","0.7107","MoKα","","","0.03","","","0.036","","","","","1.59","1.59","","","","","has coordinates","191095","2020-10-21","18:00:00",""
"2006787","6.286","0.002","7.698","0.002","18.144","0.005","90.65","0.02","91.92","0.03","96.51","0.03","871.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","α-Cyclohexyl-β-Methoxycarbonyl-γ-Lactame","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C38 H50 N2 O6 -","2","1","CF1182","Ben Amor, Fatma; Beltaif, Imen; Besbes, Rafâa; Amri, Hassen","Methyl 1-Benzyl-3-cyclohexyl-2-oxopyrrolidine-2-carboxylate","Acta Crystallographica Section C","1997","53","12","1919","1921","10.1107/S0108270197010287","","","0.7107","MoKα","","0.1045","0.0532","","0.1503","0.1219","","","","1.055","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006788","15.005","0.005","6.829","0.005","17.749","0.005","90","0.005","102.25","0.005","90","0.005","1777.3","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 F3 N O3 P -","- C15 H19 F6 N O3 P -","- C60 H76 F24 N4 O12 P4 -","4","1","CF1184","Benniston, Andrew C.; Yufit, Dmitrii S.; Mackie, Philip R.","A π-Stacked Complex Between 4,4'-Dimethyl-4,4'-bipyridinium Bis(hexafluorophosphate) and 1,5-Bis[(hydroxyethoxy)ethoxy]naphthalene","Acta Crystallographica Section C","1997","53","12","1899","1901","10.1107/S0108270197011438","","","0.71069","MoKα","","0.19","0.0761","","0.2796","0.2026","","","","1.032","1.178","1.178","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006789","5.3861","0.0006","11.141","0.0011","27.411","0.003","90","","93.433","0.008","90","","1641.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-8-hydroxy-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin","","- C20 H18 O3 S -","- C20 H18 O3 S -","- C80 H72 O12 S4 -","4","1","CF1193","Senthil Kumar; Kandasamy Chinnakali; Kandasamy Sivakumar; Hoong-Kun Fun; Kamaraj Sriraghavan","8-Hydroxy-4-methyl-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin","Acta Crystallographica Section C","1997","53","12","1854","1855","10.1107/S0108270197011451","","","0.71073","MoKα","","0.055","0.038","","0.118","0.102","","","","1.032","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006790","10.092","0.011","10.514","0.011","12.415","0.014","70.53","0.08","71.81","0.08","61.85","0.07","1076","2","293","","293","","","","","","","","","7","P -1","-P 1","2","","Chloro-bis(2,6-dimethyl piperidino)phosphoramide trichloroantimonate","","- C14 H28 Cl4 N2 O P Sb -","- C14 H28 Cl4 N2 O P Sb -","- C28 H56 Cl8 N4 O2 P2 Sb2 -","2","1","DE1057","Vijjulatha, M.; Kumara Swamy, K. C.; Huch, Volker; Veith, Michael","The 1:1 Antimony Trichloride Adduct of Chlorobis(2,6-dimethylpiperidin-1-yl)phosphine Oxide","Acta Crystallographica Section C","1997","53","12","1789","1791","10.1107/S0108270197009487","","","0.71073","MoKα","","0.0342","0.0322","","0.0867","0.0853","","","","","1.147","1.147","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006791","8.819","0.001","15.244","0.002","6.828","0.002","90","","90","","90","","917.9","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Structure d'un Monophosphate synthétique de Magnésium et de Sodium: MgNaPO~4~","","- Mg3 Na3 O12 P3 -","- Mg3 Na3 O12 P3 -","- Mg12 Na12 O48 P12 -","4","1","DU1170","Imura, Hiroshi; Kawahara, Akira","Structure d'un Monophosphate Synthétique de Magnésium et de Sodium: Mg~3~Na~3~(PO~4~)~3~","Acta Crystallographica Section C","1997","53","12","1733","1735","10.1107/S0108270197003211","","","0.7107","MoKα","","","0.055","","","0.046","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006792","14.2087","0.0001","20.3168","0.0003","19.8322","0.0002","90","","110.085","0.0001","90","","5376.89","0.1","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexa[2,4,6-tri(isopropyl)thiophenolatogold(I)] Diethyl Ether Solvate","","- C94 H148 Au6 O S6 -","- C90 H138 Au6 S6 -","- C180 H276 Au12 S12 -","2","0.5","FG1278","LeBlanc, Daren J.; Lock, Colin J.L.","<i>cyclo</i>-Hexakis[(2,4,6-triisopropylthiophenolato-<i>S</i>:<i>S</i>)gold(I)] Diethyl Ether Solvate","Acta Crystallographica Section C","1997","53","12","1765","1768","10.1107/S010827019700930X","","","0.71073","MoKα","","0.1142","0.0533","","0.1049","0.09","","","","1.006","1.173","1.173","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006793","16.907","0.006","12.543","0.004","20.86","0.007","90","","117.89","0.03","90","","3910","3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","36,37,38-Trimethoxy-5,10,15-trimethyl-22,25,30,33-tetraoxa-1,19-diazapentacyclo [17.8.8.1^3,7^.1^8,12^.1^13,17^]octatriaconta-3,5,7(36),8,10,12(37),13,15, 17(38)-nonaene sodium thiocyanate clathrate","","- C39 H52 N3 Na O7 S -","- C39 H52 N3 Na O7 S -","- C156 H208 N12 Na4 O28 S4 -","4","1","FG1279","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Three Complexes of a [2.2]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1822","1827","10.1107/S0108270197009530","","","0.71073","MoKα","","0.0951","0.0548","","0.1516","0.1354","","","","1.064","1.201","1.201","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006794","13.921","0.012","11.397","0.011","25.53","0.02","90","","101.74","0.02","90","","3966","6","156","","156","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","36,37,38-Trimethoxy-5,10,15-trimethyl-22,25,30,33-tetraoxa-1,19-diazapentacyclo [17.8.8.1^3,7^.1^8,12^.1^13,17^]octatriaconta-3,5,7(36),8,10,12(37),13,15, 17(38)-nonaene potassium thiocyanate monohydrate","","- C39 H54 K N3 O8 S -","- C39 H54 K N3 O8 S -","- C156 H216 K4 N12 O32 S4 -","4","1","FG1279","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Three Complexes of a [2.2]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1822","1827","10.1107/S0108270197009530","","","0.71073","MoKα","","0.2244","0.0642","","0.2179","0.13","","","","1.056","1.108","1.108","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006795","11.252","0.01","14.272","0.013","25.99","0.02","90","","104.72","0.02","90","","4037","6","156","","156","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","36,37,38-Trimethoxy-5,10,15-trimethyl-22,25,30,33-tetraoxa-1,19-diazapentacyclo [17.8.8.1^3,7^.1^8,12^.1^13,17^]octatriaconta-3,5,7(36),8,10,12(37),13,15, 17(38)-nonaene cesium perchlorate monohydrate C38 H52 Cs1 N2 O7 1+,Cl1 O4 1-,H2 O1","","- C38 H54 Cl Cs N2 O12 -","- C38 H54 Cl Cs N2 O12 -","- C152 H216 Cl4 Cs4 N8 O48 -","4","1","FG1279","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Three Complexes of a [2.2]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1822","1827","10.1107/S0108270197009530","","","0.71073","MoKα","","0.164","0.0686","","0.2265","0.1648","","","","1.04","1.068","1.068","","","","","has coordinates,has disorder","194538","2020-10-21","18:00:00",""
"2006796","21.21","0.009","14.745","0.006","11.807","0.005","90","","90","","90","","3693","3","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo [17.5.5.1^3,7^,1^8,12^.1^13,17^] pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(33)-nonaene potassium thiocyanate","","- C37 H48 K N3 O6 S -","- C37 H48 K N3 O6 S -","- C148 H192 K4 N12 O24 S4 -","4","0.5","FG1280","Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng","A K^+^ Complex of a [2.1]Cryptahemispherand at 295K","Acta Crystallographica Section C","1997","53","12","1832","1834","10.1107/S0108270197009542","","","0.7107","MoKα","","0.1167","0.0755","","0.2207","0.2016","","","","1.071","1.228","1.228","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006797","7.835","0.0014","37.23","0.008","11.318","0.003","90","0.02","90","0.02","90","0.02","3301.4","1.3","117","2","117","2","","","","","","","","4","P n a 21","P 2c -2n","33","","33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo(17.8 .5.1^3,7^,1^8,12^.1^13,17^)pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(3 3)-nonaene-2,18-dione C36 H44 N2 O8","","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","- C144 H176 N8 O32 -","4","1","FG1281","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Two Isomeric [2.1]Cryptahemispherand Diamides","Acta Crystallographica Section C","1997","53","12","1835","1838","10.1107/S0108270197009554","","","0.71073","MoKα","","0.0781","0.061","","0.1616","0.1462","","","","1.05","1.086","1.086","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006798","16.055","0.004","15.37","0.004","14.64","0.003","90","0.02","90","0.02","90","0.02","3612.6","1.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","33,34,35-Trimethoxy-5,10,15-trimethyl-22,25,30-trioxa-1,19-diazapentacyclo [17.8.5.1^3,7^,1^8,12^.1^13,17^] pentatriaconta-3,5,7(35),8,10,12(34),13,15,17(33)-nonaene-2,18-dione)","","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","- C144 H176 N8 O32 -","4","0.5","FG1281","Maverick, Emily F.; Knobler, Carolyn B.; Trueblood, Kenneth N.; Ho, Siew Peng","Two Isomeric [2.1]Cryptahemispherand Diamides","Acta Crystallographica Section C","1997","53","12","1835","1838","10.1107/S0108270197009554","","","1.54184","CuKα","","0.0687","0.0601","","0.1724","0.1616","","","","1.056","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006799","19.919","0.002","14.725","0.002","21.387","0.002","90","","111.85","0.003","90","","5822.3","1.1","295","","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","30,31,32-trimethoxy-5,10,15- trimethyl-22,27-dioxa-1,19-diazapentacyclo[17.5.5.1^3,7^.1^8,12^.1^13,17^]do triaconta-3,5,7(32),8,10,12(31),13,15,17(30)-nonaene sodium tetraphenylborate C34 H44 N2 Na1 O5 1+,C24 H20 B1 1-","","- C58 H64 B N2 Na O5 -","- C58.8 H64 B Cl0.6 N2 Na O5.5 -","- C235.2 H256 B4 Cl2.4 N8 Na4 O22 -","4","1","FG1282","Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng","An Na^+^ Complex and a Bis-BH~3~ Complex of a [1.1]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1827","1832","10.1107/S0108270197009566","","","0.71073","MoKα","","0.272","0.117","","0.388","0.324","","","","1.016","1.446","1.446","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006800","15.605","0.011","15.799","0.007","15.023","0.007","90","0.04","94.43","0.05","90","0.05","3693","4","115","2","115","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","hexahydro-{(30,31,32-trimethoxy-5,10,15- trimethyl-22,27-dioxa-1,19-diazapentacyclo[17.5.5.1^3,7^.1^8,12^.1^13,17^] dotriaconta-3,5,7(32),8,10,12(31),13,15,17(30)-nonaene-N^1^:N^19^)} -di-boron (CH~2~Cl~2~ solvate)","","- C34.5 H51 B2 Cl N2 O5 -","- C34.51 H49.74 B2 Cl1.02 N2 O5 -","- C138.04 H198.96 B8 Cl4.08 N8 O20 -","4","1","FG1282","Knobler, Carolyn B.; Maverick, Emily F.; Trueblood, Kenneth N.; Ho, Siew Peng","An Na^+^ Complex and a Bis-BH~3~ Complex of a [1.1]Cryptahemispherand","Acta Crystallographica Section C","1997","53","12","1827","1832","10.1107/S0108270197009566","","","0.71073","MoKα","","0.135","0.077","","0.183","0.158","","","","1.034","1.193","1.193","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006801","11.5345","0.0001","13.7765","0.0002","15.1022","0.0001","90","","90","","90","","2399.82","0.04","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Piperidinium Bis(azido)triphenylstannates","","- C23 H27 N7 Sn -","- C23 H27 N7 Sn -","- C92 H108 N28 Sn4 -","4","1","FG1297","Wharf, Ivor; Wojtowski, Ryszard; Onyszchuk, Mario; Simard, Michel G.","Piperidinium Diazidotriphenylstannate and Quinuclidinium Diazidotriphenylstannate","Acta Crystallographica Section C","1997","53","12","1791","1794","10.1107/S010827019700958X","","","0.71073","MoKα","","0.0321","0.0247","","0.0514","","0.0484","","","1.069","","","1.066","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006802","27.1533","0.0004","9.9162","0.0002","19.0714","0.0001","90","","98.284","0.001","90","","5081.54","0.13","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Quinuclidinium bis(azido)triphenylstannates","","- C25 H29 N7 Sn -","- C25 H29 N7 Sn -","- C200 H232 N56 Sn8 -","8","2","FG1297","Wharf, Ivor; Wojtowski, Ryszard; Onyszchuk, Mario; Simard, Michel G.","Piperidinium Diazidotriphenylstannate and Quinuclidinium Diazidotriphenylstannate","Acta Crystallographica Section C","1997","53","12","1791","1794","10.1107/S010827019700958X","","","0.71073","MoKα","","0.0696","0.0402","","0.1101","","0.088","","","1.091","","","1.047","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006803","6.437","0.0007","9.3798","0.0012","12.0427","0.0009","90","","90","","90","","727.11","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Deoxy-D-fructose","3-Deoxy-D-erythro-hexulose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","FG1300","Szarek, Walter A.; Roszak, Aleksander W.; Crone, Giselle M.; Martin, Olivier R.","3-Deoxy-<small>D</small>-fructose","Acta Crystallographica Section C","1997","53","12","1921","1923","10.1107/S0108270197009311","","","0.71069","MoKα","","0.045","0.036","","0.092","0.082","","","","0.919","0.919","0.919","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006804","7.641","0.003","16.534","0.001","18.569","0.002","90","","90","","90","","2345.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 3β-bromine-7α-hydroxy-5β-cholan-24-oate","","- C25 H41 Br O3 -","- C25 H41 Br O3 -","- C100 H164 Br4 O12 -","4","1","FG1305","Dago Morales, Angel; Pomés Hernández, Ramón; Coll Manchado, Francisco; Pérez Gil, Roxana; Punte, Graciela; Echeverría, Gustavo","Methyl 3β-Bromine-7α-hydroxy-5β-cholan-24-oate","Acta Crystallographica Section C","1997","53","12","1881","1883","10.1107/S0108270197007464","","","0.71069","MoKα","","0.2017","0.0501","","0.1271","0.0771","","","","1.169","1.169","1.169","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006805","11.1451","0.0012","12.5674","0.0008","15.5207","0.0012","95.374","0.008","105.384","0.008","92.095","0.009","2082.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","diperylenium(1+) bis[1,4-dihydro-2,3-quinoxalinedithionato(2)S,S^'^]cuprate(III)","","- C56 H32 Cu N4 S4 -","- C56 H32 Cu N4 S4 -","- C112 H64 Cu2 N8 S8 -","2","1","FG1309","Santos, Isabel C.; Ayllon, José A.; Henriques, Rui T.; Almeida, Manuel; Alcácer, Luís; Duarte, M. Teresa","A New Perylene Salt: Diperylenium(1+) Bis[quinoxaline-2,3-dithiolato(2 ‒)-<i>S</i>,<i>S</i>']cuprate(III)","Acta Crystallographica Section C","1997","53","12","1768","1770","10.1107/S0108270197007919","","","0.71069","MoKα","","0.2108","0.0549","","0.147","0.0861","","","","1.128","1.095","1.095","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006806","12.786","0.002","10.29","0.002","13.095","0.002","90","","118.7","0.01","90","","1511.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Famphur","O,O-Dimethyl-O-(p-(N,N-dimethylsulfamoyl)phenyl)phosphorothioate","","- C10 H16 N O5 P S2 -","- C10 H16 N O5 P S2 -","- C40 H64 N4 O20 P4 S8 -","4","1","FG1316","Baughman, Russell G.","Organophosphorus Insecticides. 18. Famphur: <i>O</i>,<i>O</i>-Dimethyl <i>O</i>-[<i>p</i>-(<i>N</i>,<i>N</i>-Dimethylsulfamoyl)phenyl] Phosphorothioate","Acta Crystallographica Section C","1997","53","12","1928","1929","10.1107/S0108270197011189","","","0.71073","MoKα","","0.068","0.044","","0.125","0.109","","","","1.052","1.099","1.099","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006807","10.955","0.002","11.186","0.002","6.221","0.002","97.13","0.02","100.69","0.02","79.52","0.02","733.4","0.3","170","1","170","1","","","","","","","","4","P -1","-P 1","2","","5(R),7-(1(S)-hydroxybenzyl)-6-methyl-4-oxa-1-thiaspiro[5.4]dec-6-ene","","- C16 H20 O2 S -","- C16 H20 O2 S -","- C32 H40 O4 S2 -","2","1","FG1317","Parvez, Masood; Jeyaraj, Duraiswamy A.; Yadav, Veejendra K.","Oxa-thia-spiro-decene Derivatives","Acta Crystallographica Section C","1997","53","12","1961","1963","10.1107/S0108270197009591","","","0.71069","MoKα","","0.0764","0.0459","","0.1529","0.1219","","","","1.001","1.009","1.009","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006808","6.62","0.003","11.322","0.003","12.297","0.003","90","","103.52","0.03","90","","896.1","0.5","200","1","200","1","","","","","","","","4","P 1 21 1","P 2yb","4","","7-(1'-2-hydroxypropyl)-6-methyl-4-oxa-1-thiaspiro[5.4]dec-6-enyl p-methoxy benzoate","","- C19 H24 O4 S -","- C19 H24 O4 S -","- C38 H48 O8 S2 -","2","1","FG1317","Parvez, Masood; Jeyaraj, Duraiswamy A.; Yadav, Veejendra K.","Oxa-thia-spiro-decene Derivatives","Acta Crystallographica Section C","1997","53","12","1961","1963","10.1107/S0108270197009591","","","0.71069","MoKα","","0.1169","0.0538","","0.232","0.14","","","","1.128","1.192","1.192","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006809","7.065","0.002","7.199","0.001","9.726","0.002","105.61","0.01","103.46","0.01","99.61","0.01","449.21","0.17","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2,4,5-trimethylbenzoic acid","","- C10 H12 O2 -","- C10 H12 O2 -","- C20 H24 O4 -","2","1","FG1324","Barcon, Alan; Coté, Marie L.; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","2,4,5-Trimethylbenzoic Acid","Acta Crystallographica Section C","1997","53","12","1842","1845","10.1107/S0108270197009335","","","0.71073","MoKα","","0.092","0.05","","0.149","0.122","","","","1.025","1.106","1.106","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2006810","8.151","0.001","13.426","0.002","8.344","0.002","90","","116.04","0.01","90","","820.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(+\-)-3-Oxoindanecarboxylic Acid","(+\-)-2,3-Dihydro-3-oxo-1H-indenecarboxylic Acid","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","1","FG1331","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","(±)-2,3-Dihydro-3-oxo-1<i>H</i>-indenecarboxylic Acid: Hydrogen-Bonding Patterns in a γ-Keto Acid and its Monohydrate","Acta Crystallographica Section C","1997","53","12","1838","1842","10.1107/S0108270197009608","","","0.71073","MoKα","","0.098","0.056","","0.147","0.124","","","","1.03","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006811","5.984","0.001","7.763","0.001","11.086","0.001","107.29","0.01","105.32","0.01","93.12","0.01","469.27","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","(+\-)-3-Oxoindanecarboxylic Acid Monohydrate","(+\-)-2,3-Dihydro-3-oxo-1H-indenecaboxylic Acid Monohydrate","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","FG1331","Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.","(±)-2,3-Dihydro-3-oxo-1<i>H</i>-indenecarboxylic Acid: Hydrogen-Bonding Patterns in a γ-Keto Acid and its Monohydrate","Acta Crystallographica Section C","1997","53","12","1838","1842","10.1107/S0108270197009608","","","0.71073","MoKα","","0.121","0.056","","0.15","0.117","","","","1.03","1.148","1.148","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006812","9.0207","0.0006","10.1127","0.0008","10.5364","0.001","90","","111.809","0.006","90","","892.38","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Ethyl-3-hydroxy-4,4-dimethyl-pyrrolidone-2","","- C8 H15 N O2 -","- C8 H15 N O2 -","- C32 H60 N4 O8 -","4","1","FG1349","Hollenberg, Niels; Grahn, Walter; Jones, Peter G.","1-Ethyl-3-hydroxy-4,4-dimethyl-2-pyrrolidone","Acta Crystallographica Section C","1997","53","12","1851","1852","10.1107/S0108270197009347","","","0.71073","MoKα","","0.047","0.037","","0.103","0.099","","","","1.05","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006813","7.3743","0.0009","6.6684","0.0007","14.1803","0.0011","90","","95.074","0.009","90","","694.58","0.12","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","(5aS,7S)-7-Isopropenyl-3-methyl-1H-5a,6,7,8,9-pentahydro-1- oxopyrano[4,3-b][1]benzopyran","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","FG1352","Hua, Duy H.; Chen, Yi; Robinson, Paul D.; Meyers, Cal Y.","(5a<i>S</i>,7<i>S</i>)-7-Isopropenyl-3-methyl-5a,6,8,9-tetrahydro-1<i>H</i>,7<i>H</i>-pyrano[4,3-<i>b</i>][1]benzopyran-1-one","Acta Crystallographica Section C","1997","53","12","1995","1997","10.1107/S0108270197011220","","","0.71069","MoKα","","0.1022","0.0378","","0.1151","","0.0891","","","1.026","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006814","5.3498","0.0011","19.754","0.003","11.665","0.002","90","","93.97","0.02","90","","1229.8","0.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Aza-4-azoniabicyclo[2.2.2]octane Di(methanesulfonyl)amide","","- C8 H19 N3 O4 S2 -","- C8 H19 N3 O4 S2 -","- C32 H76 N12 O16 S8 -","4","1","FG1353","Henschel, Dagmar; Moers, Oliver; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. XCII. 1-Aza-4-azoniabicyclo[2.2.2]octane Di(methanesulfonyl)amidate","Acta Crystallographica Section C","1997","53","12","1877","1879","10.1107/S0108270197011633","","","0.71073","MoKα","","0.066","0.045","","0.117","0.103","","","","1.033","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006815","8.2035","0.0016","15.747","0.003","13.842","0.003","90","","93.638","0.016","90","","1784.5","0.6","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,2-Benzenedisulfonylimido-O)(1,4,7,10-tetraoxacyclododecane)lithium","","- C14 H20 Li N O8 S2 -","- C14 H20 Li N O8 S2 -","- C56 H80 Li4 N4 O32 S8 -","4","1","FG1354","Jones, Peter G.; Moers, Oliver; Blaschette, Armand","Polysulfonylamines. XCIII. (1,2-Benzenedisulfonylimido-<i>O</i>)(1,4,7,10-tetraoxacyclododecane-κ^4^<i>O</i>)lithium","Acta Crystallographica Section C","1997","53","12","1809","1811","10.1107/S0108270197011232","","","0.71073","MoKα","","0.045","0.0349","","0.0851","0.0787","","","","1.05","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006816","21.903","0.004","10.449","0.0014","10.1168","0.0014","90","","107.298","0.012","90","","2210.7","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(diphenylphosphino)methane Diselenide","","- C25 H22 P2 Se2 -","- C25 H22 P2 Se2 -","- C100 H88 P8 Se8 -","4","0.5","FG1358","Ahrens, Birte; Jones, Peter G.","A New Modification of Bis(diphenylphosphino)methane Diselenide","Acta Crystallographica Section C","1997","53","12","1852","1854","10.1107/S0108270197011463","","","0.71073","MoKα","","0.0587","0.0369","","0.0936","0.0884","","","","0.925","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006817","7.372","0.005","7.688","0.005","10.76","0.008","83.56","0.05","81.6","0.04","67.46","0.04","556.2","0.7","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","1,2-Benzenedisulfonylamine Acetonitrile Solvate (1/1)","","- C8 H8 N2 O4 S2 -","- C8 H8 N2 O4 S2 -","- C16 H16 N4 O8 S4 -","2","1","FG1377","Jones, Peter G.; Wirth, Andreas; Moers, Oliver; Blaschette, Armand","Polysulfonylamines. XCVIII. 1,2-Benzenedisulfonylamine Acetonitrile Solvate (1/1)","Acta Crystallographica Section C","1997","53","12","1897","1899","10.1107/S0108270197012080","","","0.71073","MoKα","","0.0452","0.0358","","0.0901","0.0844","","","","1.071","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006818","11.645","0.002","11.645","0.002","38.273","0.008","90","","90","","120","","4494.7","1.4","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","Monoammonium bis(D-penicillaminato-S)aurate(I) 3.667 hydrate","","- C10 H31.333 Au N3 O7.667 S2 -","- C10 H31.3333 Au N3 O7.66667 S2 -","- C90 H282 Au9 N27 O69 S18 -","9","0.5","FR1038","LeBlanc, Daren J.; Britten, James F.; Wang, Zhixian; Howard-Lock, Helen E.; Lock, Colin J.L.","Monoammonium Bis(<small>D</small>-penicillaminato-<i>S</i>)aurate(I) 3.667-Hydrate","Acta Crystallographica Section C","1997","53","12","1763","1765","10.1107/S0108270197009724","","","0.56086","AgKα","","0.0347","0.0277","","0.0598","0.0581","","","","0.995","1.031","1.031","","","","","has coordinates,has disorder","187340","2020-10-21","18:00:00",""
"2006819","7.996","0.001","20.776","0.002","9.761","0.001","90","","101.32","0.01","90","","1590","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2'-hydroxy-4-N-methylstilbazonium iodide methanol solvate","1-methyl-4-(2-(2-hydroxyphenyl)vinyl)pyridium iodide methanol solvate","","- C15 H18 I N O2 -","- C15 H18 I N O2 -","- C60 H72 I4 N4 O8 -","4","1","FR1059","Zhang, De-Chun; Zhang, Tian-Zhu; Zhang, Yan-Qiu; Fei, Zheng-Hao; Yu, Kai-Bei","2'-Hydroxy-4-<i>N</i>-methylstilbazonium Iodide Methanol Solvate, C~14~H~14~NO^+^.I^{-^}.CH~3~OH","Acta Crystallographica Section C","1997","53","12","1895","1897","10.1107/S0108270197010342","","","0.71073","MoKα","","0.044","0.027","","0.065","0.061","","","","0.989","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006820","8.584","0.001","16.066","0.003","16.097","0.002","90","","92.93","0.01","90","","2217","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl 3',6'-bis(chloromethyl)-2,2'-dimethoxy-1,1'-binaphthalene-3-carboxylate","","- C26 H22 Cl2 O4 -","- C26 H22 Cl2 O4 -","- C104 H88 Cl8 O16 -","4","1","FR1060","Pakhomova, Svetlana; Kratochvíl, Bohumil; Lellek, Vít; Stibor, Ivan","Methyl 3',6'-Bis(chloromethyl)-2,2'-dimethoxy-1,1'-binaphthalene-3-carboxylate","Acta Crystallographica Section C","1997","53","12","1871","1873","10.1107/S0108270197010172","","","1.54187","CuKα","","0.0718","0.0664","","0.2026","0.1892","","","","1.054","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006821","6.105","0.0006","6.252","0.0006","14.547","0.001","90","0.009","90","0.009","90","0.009","555.24","0.09","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 N O -","- C6 H7 N O -","- C24 H28 N4 O4 -","4","1","FR1062","Suchod, Bernadette; Lajzerowicz, Janine; Collet, André","({-})-2-Azabicyclo[2.2.1]hept-5-en-3-one (Lactam)","Acta Crystallographica Section C","1997","53","12","1911","1912","10.1107/S0108270197011311","","","0.71073","MoKα","","0.057","0.057","","0.028","0.028","","","","3.274","3.274","3.274","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006822","8.584","0.002","8.893","0.002","13.851","0.003","106.94","0.02","101.9","0.02","96.5","0.02","972.6","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","1,4,5,8-naphthalenetetracarboxylic acid cyclic 1,8-anhydride . 2 dimethyl sulfoxide","","","- C18 H18 O9 S2 -","- C18 H18 O9 S2 -","- C36 H36 O18 S4 -","2","1","FR1073","Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E.","1,4,5,8-Naphthalenetetracarboxylic Acid Cyclic 1,8-Anhydride Bis(dimethyl sulfoxide) Solvate and 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-Dianhydride","Acta Crystallographica Section C","1997","53","12","1991","1995","10.1107/S0108270197011712","","","0.7093","MoKα","","","0.052","","","","0.04","","","","","","2.09","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006823","7.88","0.002","5.322","0.001","12.6012","0.0009","90","","107.257","0.009","90","","504.67","0.17","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4,5,8-naphthalenetetracarboxylic-1,8:4,5-dianhydride","","","- C14 H4 O6 -","- C14 H4 O6 -","- C28 H8 O12 -","2","0.5","FR1073","Blackburn, Anthony C.; Fitzgerald, Lawrence J.; Gerkin, Roger E.","1,4,5,8-Naphthalenetetracarboxylic Acid Cyclic 1,8-Anhydride Bis(dimethyl sulfoxide) Solvate and 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-Dianhydride","Acta Crystallographica Section C","1997","53","12","1991","1995","10.1107/S0108270197011712","","","0.71073","MoKα","","","0.051","","","","0.053","","","","","","1.79","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006824","8.48","0.001","9.336","0.001","11.187","0.001","90","","98.351","0.002","90","","876.28","0.16","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(±)-cis-2-phenylcyclopropanecarboxylic acid","(±)-cis-2-phenylcyclopropanecarboxylic acid","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","1","FR1081","Gerkin, Roger E.","Hydrogen Bonding and Ring Asymmetry in (±)-<i>cis</i>-2-Phenylcyclopropanecarboxylic Acid","Acta Crystallographica Section C","1997","53","12","1989","1991","10.1107/S0108270197011104","","","0.71073","MoKα","","","0.06","","","","0.08","","","","","","1.39","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006825","18.012","0.002","18.039","0.002","7.579","0.001","90","","90","","90","","2462.6","0.5","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-dimethoxynaphthalene-2,5-dicarboxylic acid","1,4-dimethoxynaphthalene-2,5-dicarboxylic acid","","- C14 H12 O6 -","- C14 H12 O6 -","- C112 H96 O48 -","8","1","FR1083","Gerkin, Roger E.","5,8-Dimethoxynaphthalene-1,6-dicarboxylic Acid","Acta Crystallographica Section C","1997","53","12","1987","1989","10.1107/S0108270197011475","","","0.71073","MoKα","","","0.065","","","","0.059","","","","","","1.58","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006826","18.9237","0.0002","18.9167","0.0002","8.7226","0.0001","90","","90","","90","","3122.46","0.06","143","","143","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","[Bis-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)]-methane","","- C17 H24 O4 -","- C17 H24 O4 -","- C136 H192 O32 -","8","1","HA1194","Bolte, Michael; Scholtyssik, Maria","A Tetragonal-Looking But Twinned Orthorhombic Structure","Acta Crystallographica Section C","1997","53","12","1869","1871","10.1107/S0108270197009438","","","0.71073","MoKα","","0.034","0.033","","0.092","0.091","","","","1.062","1.072","1.072","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006827","6.025","0.001","10.519","0.001","9.584","0.001","90","","105.91","0.01","90","","584.14","0.13","102","","102","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis-(trimethylsilyl)acetylene","","- C8 H18 Si2 -","- C8 H18 Si2 -","- C16 H36 Si4 -","2","0.5","JZ1194","Joachim Bruckmann; Carl Krüger","Bis(trimethylsilyl)acetylene","Acta Crystallographica Section C","1997","53","12","1845","1846","10.1107/S0108270197005684","","","0.71069","MoKα","","0.0484","0.0454","","0.1277","0.1244","","","","1.098","1.117","1.117","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006828","8.7652","0.001","7.8844","0.001","9.64","0.002","90","","91.468","0.01","90","","665.99","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Cd La O10 -","- B5 Cd La O10 -","- B20 Cd4 La4 O40 -","4","1","JZ1197","Wiesch, Andre; Bluhm, Karsten","The First Cadmium Rare Earth Borates CdLn[B~5~O~10~] with Ln = La, Sm, Eu","Acta Crystallographica Section C","1997","53","12","1730","1733","10.1107/S0108270197008202","","","0.71069","MoKα","","0.0382","0.0245","","0.061","0.0585","","","","1.045","1.101","1.101","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006829","8.588","0.003","7.8819","0.0014","9.583","0.002","90","","92.34","0.02","90","","648.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Cd O10 Sm -","- B5 Cd O10 Sm -","- B20 Cd4 O40 Sm4 -","4","1","JZ1197","Wiesch, Andre; Bluhm, Karsten","The First Cadmium Rare Earth Borates CdLn[B~5~O~10~] with Ln = La, Sm, Eu","Acta Crystallographica Section C","1997","53","12","1730","1733","10.1107/S0108270197008202","","","0.71069","MoKα","","0.0466","0.0293","","0.0901","0.0869","","","","1.148","1.243","1.243","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006830","8.5477","0.0012","7.881","0.002","9.58","0.002","90","","92.53","0.02","90","","644.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Cd Eu O10 -","- B5 Cd Eu O10 -","- B20 Cd4 Eu4 O40 -","4","1","JZ1197","Wiesch, Andre; Bluhm, Karsten","The First Cadmium Rare Earth Borates CdLn[B~5~O~10~] with Ln = La, Sm, Eu","Acta Crystallographica Section C","1997","53","12","1730","1733","10.1107/S0108270197008202","","","0.71069","MoKα","","0.0614","0.0393","","0.0949","0.0893","","","","0.989","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006831","8.9206","0.0019","10.484","0.002","10.8614","0.0017","93.046","0.014","93.663","0.015","99.182","0.016","998.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dimethylpyrazole)(N-salicylideneglycinato)copper(II)","","- C19 H23 Cu N5 O3 -","- C19 H23 Cu N5 O3 -","- C38 H46 Cu2 N10 O6 -","2","1","JZ1209","Warda, Salam A.","Bis(3,5-dimethylpyrazole-<i>N</i>^2^)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","Acta Crystallographica Section C","1997","53","12","1759","1761","10.1107/S0108270197009104","","","1.54178","CuKα","","0.0446","0.0442","","","","0.128","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006832","15.564","0.003","12.441","0.002","7.8","0.002","90","","99.49","0.03","90","","1489.7","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- I7 Nb3 S -","- I7 Nb3 S -","- I28 Nb12 S4 -","4","1","JZ1212","Schmidt, Peter Josef; Thiele, Gerhard","A New Structural Variation of Nb~3~<i>YX</i>~7~ Compounds: Monoclinic Nb~3~SI~7~","Acta Crystallographica Section C","1997","53","12","1743","1745","10.1107/S0108270197008196","","","0.71069","MoKα","","0.0439","0.0305","","0.0923","0.0769","","","","1.082","1.086","1.086","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006833","9.634","0.004","8.586","0.002","5.304","0.002","90","","109.69","0.03","90","","413.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","vanadium lithium metasilicate","","- Li O6 Si2 V -","- Li O6 Si2 V -","- Li4 O24 Si8 V4 -","4","0.5","JZ1217","Satto, Christine; Millet, Patrice; Galy, Jean","Lithium Vanadium Metasilicate, LiVSi~2~O~6~","Acta Crystallographica Section C","1997","53","12","1727","1728","10.1107/S0108270197008585","","","0.71069","MoKα","","","0.0189","","","0.0162","","","","","1.0784","1.0784","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006834","13.307","0.002","24.15","0.003","14.74","0.002","90","","90","","90","","4736.9","1.1","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Hexamethylenetetramine‒1,1,1-tris(4-hydroxyphenyl)ethane (1/1).","","- C26 H30 N4 O3 -","- C26 H30 N4 O3 -","- C208 H240 N32 O24 -","8","1","JZ1225","Coupar, Pamela I.; Ferguson, George; Glidewell, Christopher; Meehan, Paul R.","Pairwise-Interwoven <i>R</i>^6^~6~(48) Hexagonal Nets in the Hydrogen-Bonded Structure of Hexamethylenetetramine‒1,1,1-Tris(4-hydroxyphenyl)ethane (1/1)","Acta Crystallographica Section C","1997","53","12","1978","1980","10.1107/S010827019701086X","","","0.7107","MolybdenumKα","","0.1996","0.0601","","0.1292","0.1025","","","","0.819","1.227","1.227","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006835","5.7094","0.0004","6.8207","0.0004","9.3291","0.0006","90","","90","","90","","363.29","0.04","293","2","293","2","","","","","","","","3","P m n 21","P 2ac -2","31","Europium nitridosilicate","Dieuropium-pentasiliconoctanitride","","- Eu2 N8 Si5 -","- Eu2 N8 Si5 -","- Eu4 N16 Si10 -","2","0.5","JZ1226","Huppertz, Hubert; Schnick, Wolfgang","Eu~2~Si~5~N~8~ and EuYbSi~4~N~7~. The First Nitridosilicates with a Divalent Rare Earth Metal","Acta Crystallographica Section C","1997","53","12","1751","1753","10.1107/S0108270197008767","","","0.71073","MoKα","","0.0278","0.0237","","0.0471","0.0458","","","","1.122","1.133","1.133","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006836","5.9822","0.0003","5.9822","0.0003","9.7455","0.0004","90","","90","","120","","302.03","0.02","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","Europium ytterbium nitridosilicate","Europium-ytterbium-tetrasiliconheptanitride","","- Eu N7 Si4 Yb -","- Eu N7 Si4 Yb -","- Eu2 N14 Si8 Yb2 -","2","0.166667","JZ1226","Huppertz, Hubert; Schnick, Wolfgang","Eu~2~Si~5~N~8~ and EuYbSi~4~N~7~. The First Nitridosilicates with a Divalent Rare Earth Metal","Acta Crystallographica Section C","1997","53","12","1751","1753","10.1107/S0108270197008767","","","0.71073","MoKα","","0.0261","0.0212","","0.0491","0.0478","","","","1.068","1.091","1.091","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006837","10.6688","0.0001","10.7353","0.0001","18.8291","0.0002","83.323","0.001","83.735","0.001","76.03","0.001","2071.21","0.04","143","","143","","","","","","","","","4","P -1","-P 1","2","","octaphenylcyclotetrasiloxane","","- C48 H40 O4 Si4 -","- C48 H40 O4 Si4 -","- C96 H80 O8 Si8 -","2","1","JZ1227","Hensen, Karl; Gebhardt, Frank; Kettner, Markus; Pickel, Peter; Bolte, Michael","Two Cyclotetrasiloxanes at 143K","Acta Crystallographica Section C","1997","53","12","1867","1869","10.1107/S0108270197010068","","","0.71073","MoKα","","0.0375","0.0301","","0.0825","0.0784","","","","1.031","1.056","1.056","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006838","6.3603","0.0001","17.8106","0.0003","9.3363","0.0001","90","","99.036","0.001","90","","1044.5","0.03","143","","143","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,5,7-Tetra(cyclotetramethylen)cyclotetrasiloxane","","- C16 H32 O4 Si4 -","- C16 H32 O4 Si4 -","- C32 H64 O8 Si8 -","2","0.5","JZ1227","Hensen, Karl; Gebhardt, Frank; Kettner, Markus; Pickel, Peter; Bolte, Michael","Two Cyclotetrasiloxanes at 143K","Acta Crystallographica Section C","1997","53","12","1867","1869","10.1107/S0108270197010068","","","0.71073","MoKα","","0.0891","0.0546","","","","0.1227","","","","","","1.048","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006839","22.995","0.006","8.0989","0.0008","19.225","0.004","90","","117.76","0.02","90","","3168.3","1.2","294","1","294","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(4-methoxyphenylsulfonyl)methane","","- C15 H16 O6 S2 -","- C15 H16 O6 S2 -","- C120 H128 O48 S16 -","8","1","JZ1232","Meehan, Paul R.; Gregson, Richard M.; Glidewell, Christopher; Ferguson, George","Bis(4-methoxyphenylsulfonyl)methane: a Three-Dimensional Network Generated by Short C—H···O Hydrogen Bonds","Acta Crystallographica Section C","1997","53","12","1975","1978","10.1107/S0108270197011566","","","0.7107","MolybdenumKα","","0.0863","0.0401","","0.1038","","0.0942","","","1.002","","","1.17","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006840","8.455","0.003","7.798","0.003","21.508","0.005","90","","91.37","0.02","90","","1417.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-phenyl-5,6,8-trichloro-3,4-dihydroquinoline-2(1H)one","","- C15 H10 Cl3 N O -","- C15 H10 Cl3 N O -","- C60 H40 Cl12 N4 O4 -","4","1","KA1227","Thirumurugan, R.; Shanmuga Sundara Raj, S.; Murugan, P.; Ramakrishnan, V. T.; Chacko, K. K.","5,6,8-Trichloro-4-phenyl-3,4-dihydroquinolin-2(1<i>H</i>)-one","Acta Crystallographica Section C","1997","53","12","1862","1864","10.1107/S0108270197008810","","","1.54178","CuKα","","0.0842","0.0729","","0.2203","0.1926","","","","1.08","1.017","1.017","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006841","16.803","0.004","7.502","0.002","14.647","0.005","90","","115.39","0.03","90","","1668","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1,1-Trifluoro-3-phenylbutyl-2-p-nitrobenzoate","","- C17 H14 F3 N O4 -","- C17 H14 F3 N O4 -","- C68 H56 F12 N4 O16 -","4","1","KA1232","Faure, René; Félix, Caroline; Laurent, André; Mison, Pierre","1,1,1-Trifluoro-3-phenyl-2-butyl <i>p</i>-Nitrobenzoate","Acta Crystallographica Section C","1997","53","12","1935","1937","10.1107/S0108270197008822","","","1.5418","CuKα","","","0.057","","","0.067","","","","","1.46","1.46","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006842","20.431","0.004","6.192","0.001","5.136","0.001","90","0.01","95.79","0.02","90","0.01","646.4","0.2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","L-Proline Monohydrate","","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C20 H44 N4 O12 -","4","1","KA1239","Janczak, Jan; Luger, Peter","<small>L</small>-Proline Monohydrate at 100 K","Acta Crystallographica Section C","1997","53","12","1954","1956","10.1107/S0108270197011487","","","1.54179","CuKα","","0.033","0.033","","0.084","0.084","","","","1.207","1.207","1.207","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006843","7.656","0.001","7.801","0.001","8.547","0.001","111.95","0.01","99.76","0.01","90.09","0.01","465.43","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Endo,endo-2,5-dibromo-9-oxabicyclo[4.2.1]nonane","","- C8 H12 Br2 O -","- C8 H12 Br2 O -","- C16 H24 Br4 O2 -","2","1","LN1000","Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank","Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene","Acta Crystallographica Section C","1997","53","12","1889","1892","10.1107/S0108270197011748","","","0.71073","MoKα","","0.0833","0.0387","","0.1077","0.0963","","","","1.006","1.108","1.108","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006844","12.433","0.002","25.248","0.004","5.59","0.001","90","","90","","90","","1754.7","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Endo,endo-2,5-bis(phenylsulfenyl)-9-oxabicyclo[4.2.1]nonane","","- C20 H22 O S2 -","- C20 H22 O S2 -","- C80 H88 O4 S8 -","4","0.5","LN1000","Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank","Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene","Acta Crystallographica Section C","1997","53","12","1889","1892","10.1107/S0108270197011748","","","0.71073","MoKα","","0.1037","0.0566","","0.1843","0.165","","","","1.059","1.217","1.217","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006845","6.143","0.001","6.521","0.001","9.194","0.001","90","","106.73","0.01","90","","352.71","0.09","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9,10-Dioxatricyclo[4.2.1.1^2,5^]decane","","- C8 H12 O2 -","- C8 H12 O2 -","- C16 H24 O4 -","2","0.5","LN1000","Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank","Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene","Acta Crystallographica Section C","1997","53","12","1889","1892","10.1107/S0108270197011748","","","1.54178","CuKα","","0.0636","0.0629","","0.1836","0.1833","","","","1.077","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006846","14.208","0.004","16.484","0.006","6.663","0.002","90","","90","","90","","1560.5","0.9","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C64 H96 Cl8 O4 -","4","1","LN1007","Lassaba, E.; Benharref, A.; Giorgi, M.; Pierrot, M.","Cyclopropanation of a β-Himachalene Monoepoxide Derivative","Acta Crystallographica Section C","1997","53","12","1943","1945","10.1107/S0108270197009888","","","0.71073","MoKα","","0.043","0.036","","","0.048","","","","","1.84","1.84","","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2006847","9.518","0.002","14.003","0.002","14.977","0.003","90","","90","","90","","1996.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR, 7aS)-N-Triphenylmethyl-3a,6,7,7a-tetrahydropyrano-[2,3-d]pyrrolid-2-one","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","LN1010","Vassilios Nastopoulos; Ourania Gourgioti; George Balayiannis; George Karigiannis; Dionissios Papaioannou; Constantin Kavounis","(3a<i>R</i>,7a<i>S</i>)-<i>N</i>-Triphenylmethyl-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-<i>b</i>]pyrrol-2-one","Acta Crystallographica Section C","1997","53","12","1971","1973","10.1107/S010827019701158X","","","0.71069","MoKα","","0.0418","0.0406","","0.1067","","0.1053","","","1.095","","","1.105","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006848","13.237","0.003","8.309","0.002","13.954","0.004","90","","104.17","0.03","90","","1488.1","0.7","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethylammonium Di(benzenesulfonyl)amide: 1,4,7,10,13,16-Hexaoxacyclooctadecane (1:1)","","- C26 H42 N2 O10 S2 -","- C26 H42 N2 O10 S2 -","- C52 H84 N4 O20 S4 -","2","1","LN1011","Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. XCI. Ethylammonium Di(benzenesulfonyl)amide 1,4,7,10,13,16-Hexaoxacyclooctadecane (1/1/1)","Acta Crystallographica Section C","1997","53","12","1875","1877","10.1107/S010827019701007X","","","0.71073","MoKα","","0.0341","0.0311","","0.0796","0.0756","","","","1.042","1.034","1.034","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006849","10.349","0.004","13.981","0.006","10.247","0.004","90","","102.46","0.06","90","","1447.7","1.1","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Bis[bis(dimethylamino)]-N-methyldiborylamine","","- C9 H27 B2 N5 -","- C8.5 H27 B2 N4.5 -","- C34 H108 B8 N18 -","4","0.5","LN1012","Meller, Anton; Hoppe, Holger; Albers, Thomas","1,3-Bis[bis(dimethylamino)]-<i>N</i>-methyldiborylamine","Acta Crystallographica Section C","1997","53","12","1951","1952","10.1107/S0108270197010822","","","0.71073","MoKα","","0.064","0.056","","0.162","0.149","","","","1.068","1.066","1.066","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006850","9.031","0.001","14.262","0.002","20.58","0.002","90","","90","","90","","2650.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-3-(γ-methyl-N^α^-triphenylmethylglutamyl)benzotriazole 1-Oxide","","- C31 H28 N4 O4 -","- C31 H28 N4 O4 -","- C124 H112 N16 O16 -","4","1","LN1017","Mamos, Petros; Papaioannou, Dionissios; Kavounis, Constantin; Nastopoulos, Vassilios","(<i>S</i>)-3-(<i>O</i>^{γ^}-Methyl-<i>N</i>^{α^}-triphenylmethylglutamyl)benzotriazole 1-Oxide","Acta Crystallographica Section C","1997","53","12","1973","1975","10.1107/S0108270197011591","","","0.71069","MoKα","","0.048","0.046","","0.123","","0.12","","","1.069","","","1.079","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006851","14.963","0.004","9.78","0.003","15.734","0.005","90","","115.76","0.02","90","","2073.7","1.1","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,2-Benzenedisulfonylimido-N,O)(1,4,7,10,13-pentaoxacyclododecane)sodium","","- C16 H24 N Na O9 S2 -","- C16 H24 N Na O9 S2 -","- C64 H96 N4 Na4 O36 S8 -","4","1","LN1019","Jones, Peter G.; Moers, Oliver; Blaschette, Armand","Polysulfonylamines. XCV. (1,2-Benzenedisulfonylimido-<i>N</i>,<i>O</i>)(1,4,7,10,13-pentaoxacyclopentadecane-κ^5^<i>O</i>)sodium","Acta Crystallographica Section C","1997","53","12","1811","1813","10.1107/S0108270197011062","","","0.71073","MoKα","","0.0686","0.0467","","0.1173","0.1022","","","","1.03","1.038","1.038","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006852","5.8656","0.0002","14.0699","0.0002","17.8671","0.0002","90","","92.335","0.004","90","","1473.32","0.06","295","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl3 N O -","- C15 H10 Cl3 N O -","- C60 H40 Cl12 N4 O4 -","4","1","MU1315","Ülkü, Dinçer; Ercan, Filiz; Güner, Vildan","3,3-Dichloro-4-(4-chlorophenyl)-1-phenylazetidin-2-one","Acta Crystallographica Section C","1997","53","12","1945","1947","10.1107/S0108270197009748","","","0.71073","MoKα","","","0.055","","","0.064","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006853","19.289","0.004","6.058","0.001","16.792","0.003","90","","98.23","0.01","90","","1942","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N -","- C27 H21 N -","- C108 H84 N4 -","4","1","MU1329","Jayanta Kumar Ray; Bidhan Chandra Roy; A.Chakraborty; Kandasamy Chinnakali; Hoong-Kun Fun","6-<i>n</i>-Butylacenaphtho[1,2-<i>b</i>]benzo[<i>h</i>]quinoline","Acta Crystallographica Section C","1997","53","12","1864","1865","10.1107/S0108270197009359","","","0.71073","MoKα","","0.0769","0.042","","0.1379","0.117","","","","0.891","1.012","1.012","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006854","10.381","0.001","12.556","0.001","6.883","0.001","90","","102.07","0.01","90","","877.32","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-dimethoxy-4-nitrobenzene.","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","1","MU1333","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How","Substituted Methoxybenzene Derivatives: C~8~H~9~NO~4~, C~9~H~11~NO~5~ and C~13~H~18~O~4~","Acta Crystallographica Section C","1997","53","12","1859","1862","10.1107/S010827019700975X","","","0.71073","MoKα","","0.0842","0.0454","","0.1404","0.1219","","","","0.957","1.123","1.123","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006855","7.025","0.001","13.89","0.002","10.356","0.001","90","","99.03","0.01","90","","998","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4,5-Trimethoxy-1-nitrobenzene","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C36 H44 N4 O20 -","4","1","MU1333","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How","Substituted Methoxybenzene Derivatives: C~8~H~9~NO~4~, C~9~H~11~NO~5~ and C~13~H~18~O~4~","Acta Crystallographica Section C","1997","53","12","1859","1862","10.1107/S010827019700975X","","","0.71073","MoKα","","0.0568","0.0408","","0.1324","0.1236","","","","1.013","1.147","1.147","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006856","12.1275","0.0012","7.5965","0.0007","13.989","0.0014","90","","96.006","0.009","90","","1281.7","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(2,4,5-trimethoxyphenyl)-1-butanone.","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","MU1333","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How","Substituted Methoxybenzene Derivatives: C~8~H~9~NO~4~, C~9~H~11~NO~5~ and C~13~H~18~O~4~","Acta Crystallographica Section C","1997","53","12","1859","1862","10.1107/S010827019700975X","","","0.71073","MoKα","","0.072","0.0419","","0.132","0.1174","","","","0.965","1.136","1.136","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006857","10.399","0.001","5.806","0.001","28.126","0.002","90","","93.02","0.01","90","","1695.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bis(3,4-dimethoxybenzyl)ether","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","MU1334","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How","Bis(3,4-dimethoxybenzyl) Ether and Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol","Acta Crystallographica Section C","1997","53","12","1857","1859","10.1107/S0108270197009761","","","0.71073","MoKα","","0.0842","0.0398","","0.1104","0.096","","","","0.865","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006858","6.274","0.001","10.571","0.001","15.426","0.001","86.49","0.01","80.78","0.01","87.72","0.01","1007.5","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol","","- C22 H30 O4 -","- C22 H30 O4 -","- C44 H60 O8 -","2","1","MU1334","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How","Bis(3,4-dimethoxybenzyl) Ether and Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol","Acta Crystallographica Section C","1997","53","12","1857","1859","10.1107/S0108270197009761","","","0.71073","MoKα","","0.0698","0.0432","","0.1263","0.1158","","","","0.949","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006859","5.191","0.004","11.627","0.006","12.998","0.007","75.8","0.04","79.33","0.06","88.49","0.06","747.2","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N O8 -","- C14 H15 N O8 -","- C28 H30 N2 O16 -","2","1","MU1340","Blake, Alexander J.; McNab, Hamish; Parsons, Simon; Withell, Kirsti","An Extended Imide Containing Two Methylene Meldrum's Acid Units","Acta Crystallographica Section C","1997","53","12","1956","1958","10.1107/S0108270197009773","","","0.71073","MoKα","","0.2159","0.0645","","0.1127","0.0753","","","","0.98","1.205","1.205","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006860","14.5643","0.0011","7.1338","0.0011","21.231","0.002","90","","105.021","0.008","90","","2130.5","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichloro-tetrakis{(2-pyridyl)pyrazine}copper(II) complex, C~24~H~16~N~6~Cl~2~Cu","","- C24 H16 Cl2 Cu N6 -","- C24 H16 Cl2 Cu N6 -","- C96 H64 Cl8 Cu4 N24 -","4","1","MU1342","Kožíšek, Jozef; Jaromír Marek; Zuzana Baloghová; Dušan Valigura","Dichloro[2,3,5,6-tetra(2-pyridyl)pyrazine]copper(II), [CuCl~2~(C~24~H~16~N~6~)]","Acta Crystallographica Section C","1997","53","12","1813","1815","10.1107/S0108270197011396","","","0.71073","MoKα","","0.041","0.033","","0.093","0.09","","","","1.084","1.132","1.132","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006861","13.48","0.002","11.459","0.003","15.89","0.003","90","","90.37","0.02","90","","2454.4","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2'-S-hydroxypropyl)-N,N'-bis(3,5-dichlorobenzoyl)-1R,2R-diami- nocyclohexane","","- C23 H24 Cl4 N2 O3 -","- C23 H24 Cl4 N2 O3 -","- C92 H96 Cl16 N8 O12 -","4","2","NA1272","Cirilli, Roberto; Gaparrini, Francesco; Villani, Claudio; Gavuzzo, Enrico; Cirilli, Maurizio","The Chiral Selector <i>N</i>-(2'-<i>S</i>-Hydroxypropyl)-<i>N</i>,<i>N</i>'-bis(3,5-dichlorobenzoyl)-1<i>R</i>,2<i>R</i>-diaminocyclohexane","Acta Crystallographica Section C","1997","53","12","1937","1939","10.1107/S0108270197008068","","","1.5458","CuKα","","0.1415","0.088","","0.3335","0.2162","","","","1.15","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006862","11.0244","0.001","7.5621","0.001","19.9172","0.001","90","","91.407","0.004","90","","1659.9","0.3","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O6 -","- C20 H16 O6 -","- C80 H64 O24 -","4","1","NA1299","Özbey, Süheyla; Kendi, Engin; Göker, Hakan; Ertan, Rahmiye","2-(2-Ethoxycarbonyl-1,4-benzodioxan-7-yl)-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1997","53","12","1981","1983","10.1107/S0108270197009864","","","0.71073","MoKα","","","0.053","","","0.05","","","","","0.8","0.8","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006863","6.0144","0.0006","13.8744","0.0008","27.517","0.002","90","","90","","90","","2296.2","0.3","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(-) Diphenyl (R)-1-[(S)-isoleucyl]pyrrolidine-2-phosphonate hydrochloride","","- C22 H30 Cl N2 O4 P -","- C22 H30 Cl N2 O4 P -","- C88 H120 Cl4 N8 O16 P4 -","4","1","NA1308","Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter","Diphenyl ({-})-(<i>R</i>)-1-[(<i>S</i>)-Isoleucyl]pyrrolidine-2-phosphonate Hydrochloride","Acta Crystallographica Section C","1997","53","12","1952","1954","10.1107/S0108270197008524","","","1.54184","CuKα","","0.0353","0.0325","","0.084","","0.084","","","1.069","","","1.069","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006864","14.02","0.002","14.02","0.002","33.005","0.005","90","","90","","120","","5618.3","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","tris[1-(2-phenyl-2-oxoethyl)pyridone-2] hydroxonium tetrafluoroborate complex","","- C39 H36 B F4 N3 O7 -","- C39 H36 B F4 N3 O7 -","- C234 H216 B6 F24 N18 O42 -","6","0.333333","NA1311","Zhukov, S. G.; Rybakov, V. B.; Babaev, E. V.; Paseshnichenko, K. A.; Schenk, H.","Tris(1-phenacyl-2-pyridone) Hydroxonium Tetrafluoroborate, a Hydrogen-Bonded Complex","Acta Crystallographica Section C","1997","53","12","1909","1911","10.1107/S010827019701024X","","","0.70926","MoKα","","0.126","0.053","","0.13","0.102","","","","1.027","1.199","1.199","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006865","7.287","0.003","13.779","0.004","7.415","0.005","90","","99.55","0.1","90","","734.2","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2-aminopyrimidine) tetrabromo-copper(ii)","","- C8 H12 Br4 Cu N6 -","- C8 H12 Br4 Cu N6 -","- C16 H24 Br8 Cu2 N12 -","2","0.5","NA1316","Raúl Corzo-Suárez; Santiago García-Granda; Isabel Díaz; Vicente Fernández-Herrero; Jose Luis Martínez","Redetermination of Bis(2-aminopyrimidinium) Tetrabromocopper(II) at 200 and 100K","Acta Crystallographica Section C","1997","53","12","1786","1789","10.1107/S0108270197009876","","","0.71073","MoKα","","0.1806","0.0497","","","","0.1544","","","","","","0.995","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006866","7.259","0.002","13.757","0.004","7.377","0.003","90","","99.87","0.03","90","","725.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(2-aminopyrimidine) tetrabromo-copper(ii)","","- C8 H12 Br4 Cu N6 -","- C8 H12 Br4 Cu N6 -","- C16 H24 Br8 Cu2 N12 -","2","0.5","NA1316","Raúl Corzo-Suárez; Santiago García-Granda; Isabel Díaz; Vicente Fernández-Herrero; Jose Luis Martínez","Redetermination of Bis(2-aminopyrimidinium) Tetrabromocopper(II) at 200 and 100K","Acta Crystallographica Section C","1997","53","12","1786","1789","10.1107/S0108270197009876","","","0.71073","MoKα","","0.13","0.0424","","","","0.1128","","","","","","1.004","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006867","9.075","0.001","11.282","0.002","9.191","0.001","90","","108.37","","90","","893.1","0.2","295","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","(2‒aminoethanesulfonato‒N,O)bis(ethylenediamine)‒Cobalt(III) perchlorate","","- C6 H22 Cl2 Co N5 O11 S -","- C6 H22 Cl2 Co N5 O11 S -","- C12 H44 Cl4 Co2 N10 O22 S2 -","2","1","OA1028","Murata, Mayumi; Masaaki Kojima; Masakazu Kita; Setsuo Kashino; Yuzo Yoshikawa","A Stable Sulfonato‒Cobalt(III) Complex: Δ-[Co{OS(O)~2~CH~2~CH~2~NH~2~-<i>N</i>,<i>O</i>}(en)~2~](ClO~4~)~2~","Acta Crystallographica Section C","1997","53","12","1761","1762","10.1107/S0108270197010032","","","0.71073","MoKα","","","0.029","","","0.028","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006868","11.8479","0.0001","9.4494","0.0002","17.8596","0.0003","90","","108.384","0.001","90","","1897.44","0.05","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N O6 P -","- C18 H20 N O6 P -","- C72 H80 N4 O24 P4 -","4","1","PT1044","Boehlow, Todd; De la Cruz, Antonette; Rath, Nigam P.; Spilling, Christopher D.","Dimethyl (±)-(1<i>S</i>*,2<i>R</i>*,3<i>S</i>*)-[3-phenyl-1-(<i>N</i>-phenylcarbamoyloxy)-2,3-epoxypropyl]phosphonate","Acta Crystallographica Section C","1997","53","12","1947","1949","10.1107/S0108270197010408","","","0.71073","MoKα","","0.084","0.0554","","0.1286","0.1121","","","","1.147","1.206","1.206","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006869","6.041","0.0001","9.9354","0.0001","18.3966","0.0003","90","","91.197","0.001","90","","1103.92","0.03","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Benzoyl-2,4-diphenyl-5-hydroxy-5-propionyl-3-imidazoline","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C50 H44 N4 O8 -","2","1","QA0016","Bolte, Michael","1-Benzoyl-5-hydroxy-2,4-diphenyl-5-propionyloxy-3-imidazoline","Acta Crystallographica Section C","1997","53","12","IUC9700027","","10.1107/S0108270197099290","","","0.71073","MoKα","","0.0542","0.0442","","0.1092","0.1039","","","","1.115","1.148","1.148","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006870","5.9054","0.0008","9.2686","0.0007","15.946","0.002","90","","97.138","0.006","90","","866.04","0.17","143","","143","","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-(2S,3S,4S,5S)-(N-t-Butyloxycarbonyl)-2-benzyl-4,5-dimethyl- 3-hydroxy-pyrrolidine","","- C18 H27 N O3 -","- C18 H27 N O3 -","- C36 H54 N2 O6 -","2","1","QA0017","Bolte, Michael","(+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)-3-hydroxy-4,5-dimethylpyrrolidine at 143K","Acta Crystallographica Section C","1997","53","12","IUC9700028","","10.1107/S0108270197099289","","","0.71073","MoKα","","0.0369","0.0362","","0.0975","0.097","","","","1.052","1.06","1.06","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006871","11.1376","0.0004","11.3443","0.0004","13.2368","0.0004","90","","109.884","0.001","90","","1572.74","0.09","140","","140","","","","","","","","","5","P 1 21 1","P 2yb","4","","S~S~-N(1S),2S,3R,4R,5R-N-[(1-Hydroxymethyl)-2-(methylpropyl)]-3- hydroxy-4-methyl-5-(4-methylphenylsulfonimidoylmethyl)-1-(4- methylphenylsulfonyl)-2-(phenylmethyl)-pyrrolidine","","- C32 H42 N2 O5 S2 -","- C32 H42 N2 O5 S2 -","- C64 H84 N4 O10 S4 -","2","1","QA0019","Bolte, Michael","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>,S<i>S</i>)-2-Benzyl-3-hydroxy-5-{<i>N</i>-[(<i>S</i>)-1-hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoylmethyl}-4-methyl-1-(4-methylphenylsulfonyl)pyrrolidine at 140K","Acta Crystallographica Section C","1997","53","12","IUC9700029","","10.1107/S0108270197099277","","","0.71073","MoKα","","0.0652","0.0437","","0.095","0.0849","","","","1.055","1.051","1.051","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006872","18.088","0.004","11.17","0.002","12.895","0.002","90","","119.93","0.01","90","","2257.9","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Bromomethyl-7,8-benzocoumarin","","- C14 H9 Br O2 -","- C14 H9 Br O2 -","- C112 H72 Br8 O16 -","8","1","QA0024","Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak; Kamaraj Sriraghavan; Vaylakkavoor T. Ramakrishnan","4-Bromomethyl-7,8-benzocoumarin","Acta Crystallographica Section C","1997","53","12","IUC9700030","","10.1107/S0108270197099265","","","0.71073","MoKα","","0.0844","0.0456","","0.1284","0.1171","","","","0.904","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006873","8.387","0.001","10.78","0.001","7.206","0.001","103.4","0.01","109.24","0.01","79.12","0.01","593.88","0.13","298","","","","","","","","","","","3","P -1","-P 1","2","","Bis(2-methylbenzylcyanide) Tetracyanobenzene","","- C28 H20 N6 -","- C28 H20 N6 -","- C28 H20 N6 -","1","0.5","QA0026","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu; Nakabayashi, Hironari","Bis(2-methylbenzyl cyanide) Tetracyanobenzene","Acta Crystallographica Section C","1997","53","12","IUC9700031","","10.1107/S0108270197099253","","","0.71073","MoKα","","","0.057","","","0.063","","","","","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006874","6.814","0.001","9.497","0.002","16.374","0.002","90","","90","","90","","1059.6","0.3","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Sodium bis(malonato)cuprate(II) dihydrate","","- C6 H8 Cu Na2 O10 -","- C6 H8 Cu Na2 O10 -","- C24 H32 Cu4 Na8 O40 -","4","0.5","QB0022","Barnes, John C.; Weakley, Timothy J.R.","Disodium Bis(malonato)cuprate(II) Dihydrate","Acta Crystallographica Section C","1997","53","12","IUC9700026","","10.1107/S0108270197099307","","","0.71073","MoKα","","0.0747","0.0476","","","","0.1425","","","","","","1.148","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006875","10.799","0.0016","12.6741","0.0012","16.3797","0.0013","90","","91.303","0.01","90","","2241.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-(4-Nitrophenyl)-7-azabicyclo[4.1.0]heptane","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","2","QB0027","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan","7-(4-Nitrophenyl)-7-azabicyclo[4.1.0]heptane","Acta Crystallographica Section C","1997","53","12","IUC9700032","","10.1107/S0108270197099241","","","0.71073","MoKα","","0.1345","0.0453","","0.1264","0.1007","","","","0.818","1.077","1.077","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006876","9.3718","0.0014","17.085","0.003","14.351","0.002","90","","95.121","0.004","90","","2288.7","0.6","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,4,6,9,11-pentamethyl-5,8-diazadodeca-4,8-diene-2,11- diamine)nickel(II) tetrachlorozincate","","- C15 H32 Cl4 N4 Ni Zn -","- C15 H32 Cl4 N4 Ni Zn -","- C60 H128 Cl16 N16 Ni4 Zn4 -","4","1","SK1009","Gladkikh, Olga P.; Curtis, Neil F.; Heath, Sarah L.","A Nickel(II) Compound with a Tetradentate Diamine‒Diimine Ligand, (2,4,6,9,11-Pentamethyl-5,8-diazadodeca-4,8-diene-2,11-diamine)nickel(II) Tetrachlorozincate","Acta Crystallographica Section C","1997","53","12","1770","1772","10.1107/S0108270197009840","","","0.71073","MoKα","","0.0821","0.0473","","0.1088","0.0918","","","","1.082","1.091","1.091","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006877","17.659","0.003","8.477","0.002","17.763","0.003","90","","114.1","0.01","90","","2427.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","octacarbonyl-μ-chloro-μ-dicyclohexylphosphido-dimanganese","","- C20 H22 Cl Mn2 O8 P -","- C20 H22 Cl Mn2 O8 P -","- C80 H88 Cl4 Mn8 O32 P4 -","4","0.5","SK1124","Flörke, Ulrich; Haupt, Hans-Jürgen","Octacarbonyl-μ-chloro-μ-dicyclohexylphosphido-dimanganese","Acta Crystallographica Section C","1997","53","12","1799","1801","10.1107/S0108270197010354","","","0.71073","MoKα","","0.084","0.048","","0.122","","0.104","","","1.028","","","1.103","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006878","13.3551","0.0019","12.4868","0.0008","14.7273","0.0015","90","","112.604","0.01","90","","2267.3","0.5","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1'-Benzoylferrocenyl)diphenylmethanol","","- C30 H24 Fe O2 -","- C30 H24 Fe O2 -","- C120 H96 Fe4 O8 -","4","1","SK1147","Glidewell, Christopher; Ahmed, S. Zaka; Gallagher, John F.; Ferguson, George","(1'-Benzoylferrocenyl)diphenylmethanol; a Centrosymmetric ^4^~4~(16) Dimer Generated by C—H···O Hydrogen Bonding","Acta Crystallographica Section C","1997","53","12","1775","1778","10.1107/S010827019701233X","","","0.7107","MolybdenumKα","","0.1037","0.0401","","","0.0868","0.0969","","","","","","0.97","","","","has coordinates","192302","2020-10-21","18:00:00",""
"2006879","6.2616","0.0008","25.1866","0.0015","11.603","0.0009","90","","90.06","0.008","90","","1829.9","0.3","294","1","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-Dibenzoylferrocene","","- C24 H18 Fe O2 -","- C24 H18 Fe O2 -","- C96 H72 Fe4 O8 -","4","1","SK1150","Gallagher, John F.; Ferguson, George; Ahmed, S. Zaka; Glidewell, Christopher; Lewis, Arwel","Accurate Redeterminations of 1,1'-Dibenzoylferrocene and (4-Nitrophenyl)ferrocene","Acta Crystallographica Section C","1997","53","12","1772","1775","10.1107/S0108270197012602","","","0.7107","MolybdenumKα","","0.1026","0.0402","","","","0.0876","","","","","","0.996","","","","has coordinates","192301","2020-10-21","18:00:00",""
"2006880","9.6988","0.0011","9.3056","0.0015","14.543","0.002","90","","93.311","0.012","90","","1310.4","0.3","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(4-Nitrophenyl)ferrocene","","- C16 H13 Fe N O2 -","- C16 H13 Fe N O2 -","- C64 H52 Fe4 N4 O8 -","4","1","SK1150","Gallagher, John F.; Ferguson, George; Ahmed, S. Zaka; Glidewell, Christopher; Lewis, Arwel","Accurate Redeterminations of 1,1'-Dibenzoylferrocene and (4-Nitrophenyl)ferrocene","Acta Crystallographica Section C","1997","53","12","1772","1775","10.1107/S0108270197012602","","","0.7107","MolybdenumKα","","0.0841","0.0403","","","","0.1015","","","","","","1","","","","has coordinates","192289","2020-10-21","18:00:00",""
"2006881","13.628","0.002","7.618","0.001","5.11","0.001","90","0.01","90","0.01","90","0.01","530.51","0.15","12","","12","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","SX1034","Jan Janczak; Dieter Zobel; Peter Luger","<small>L</small>-Threonine at 12 K","Acta Crystallographica Section C","1997","53","12","1901","1904","10.1107/S0108270197011414","","","0.5609","AgKα_(X-ray_tube)","","0.034","0.026","","0.063","0.03","","","","5.856","2.866","2.866","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006882","10.703","0.002","10.99","0.001","17.584","0.005","90","","90","","90","","2068.3","0.7","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cis-anti-cis-tricyclo[6.4.0.0^2.7^]dodecane-3,12-dione","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","1","SX1038","Angela Taylor; Edmund J. Eisenbraun; Clinton E. Browne; Elizabeth M. Holt","<i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,12-dione and <i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,9-dione","Acta Crystallographica Section C","1997","53","12","1963","1966","10.1107/S0108270197011694","","","0.71073","MoKα","","","0.059","","","","0.1562","","","","","","0.725","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006883","8.342","0.003","5.661","0.003","10.553","0.004","90","","93.23","0.01","90","","497.6","0.4","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","cis-anti-cis-tricyclo[6.4.0.0^2.7^]dodecane-3,9-dione","","- C12 H16 O2 -","- C12 H16 O2 -","- C24 H32 O4 -","2","0.5","SX1038","Angela Taylor; Edmund J. Eisenbraun; Clinton E. Browne; Elizabeth M. Holt","<i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,12-dione and <i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,9-dione","Acta Crystallographica Section C","1997","53","12","1963","1966","10.1107/S0108270197011694","","","0.71073","MoKα","","0.1063","0.0551","","","","0.1389","","","","","","0.891","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006884","13.3179","0.0015","13.1523","0.0013","8.6827","0.0012","90","","100.19","0.01","90","","1496.9","0.3","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Potassium Cobalt Aluminium Phosphate","","- Al Co K O8 P2 -","- Al Co K O8 P2 -","- Al8 Co8 K8 O64 P16 -","8","1","TA1136","Chen, Xue-An; Zhao, Ling; Li, Yan; Guo, Fang; Chen, Ben-Ming","Potassium Cobalt Aluminium Mixed Phosphate, K(Co^II^,Al)~2~(PO~4~)~2~","Acta Crystallographica Section C","1997","53","12","1754","1756","10.1107/S0108270197009906","","","0.71073","MoKα","","","0.0364","","0.1038","","","","","1.198","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006885","5.294","0.004","8.837","0.004","16.143","0.008","90","","90.6","0.05","90","","755.2","0.8","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dibariummagnesium Diphosphate","","- Ba8 Mg4 O32 P8 -","- Ba2 Mg O8 P2 -","- Ba8 Mg4 O32 P8 -","4","1","TA1147","F. Lucas; G. Wallez; S. Jaulmes; A. Elfakir; M. Quarton","Dibarium Magnesium Phosphate","Acta Crystallographica Section C","1997","53","12","1741","1743","10.1107/S010827019700841X","","","0.71069","MoKα","","0.033","0.033","","0.038","0.038","","","","1.95","1.95","1.95","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006886","18.965","0.002","7.522","0.002","8.794","0.001","90","","101.13","0.01","90","","1230.9","0.4","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O10 -","- C23 H30 N2 O10 -","- C46 H60 N4 O20 -","2","1","TA1149","Kurihara, Hiroyuki; Fujita, Shigeo; Mase, Toshiyasu","({-})-Formoterol, a Selective β~2~-Adrenoreceptor Agonist","Acta Crystallographica Section C","1997","53","12","1887","1889","10.1107/S0108270197009918","","","1.5418","CuKα","","0.0843","0.0662","","0.0886","0.0811","","","","1.307","1.197","1.197","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006887","16.402","0.002","16.402","0.002","14.573","0.002","90","","90","","120","","3395.3","0.7","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Hexasilver Cerium(III) Nonanitrate","","- Ag6 Ce N9 O27 -","- Ag6 Ce N9 O27 -","- Ag36 Ce6 N54 O162 -","6","0.166667","TA1156","Audebrand, Nathalie; Auffrédic, Jean-Paul; Bénard-Rocherullé, Patricia; Louër, Daniel","Cerous Silver Nitrate, Ag~6~Ce(NO~3~)~9~","Acta Crystallographica Section C","1997","53","12","1748","1751","10.1107/S0108270197008688","","","0.71073","MoKα","","0.048","0.0397","","0.115","0.1075","","","","1.006","1.012","1.012","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006888","6.805","0.001","13.225","0.001","13.902","0.001","90","","90","","90","","1251.1","0.2","292","2","292","2","","","","","","","","4","P n a 21","P 2c -2n","33","","7-Methoxy-4,4,6-trichloro-2,4,5,6-tetrahydro-3H-3a,5-meth-anoazulene","","- C12 H13 Cl3 O -","- C12 H13 Cl3 O -","- C48 H52 Cl12 O4 -","4","1","TA1168","Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.","Novel Products from the Rearrangement of Some [<i>n</i>.3.1]Propellanes","Acta Crystallographica Section C","1997","53","12","2000","2002","10.1107/S0108270197010044","","","1.5418","CuKα","","0.057","0.052","","0.125","0.121","","","","1.031","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006889","9.818","0.002","11.191","0.001","11.79","0.001","90","","90","","90","","1295.4","0.3","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aα,6α)-(E)-5-Chloromethylene-8,8-dichloro-6-methoxy-1,2,3,4,5,6-hexahydro- 3a,6-methanO-3aH-indene","","- C12 H13 Cl3 O -","- C12 H13 Cl3 O -","- C48 H52 Cl12 O4 -","4","1","TA1168","Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.","Novel Products from the Rearrangement of Some [<i>n</i>.3.1]Propellanes","Acta Crystallographica Section C","1997","53","12","2000","2002","10.1107/S0108270197010044","","","1.5418","CuKα","","0.039","0.037","","1.107","1.107","","","","1.109","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006890","3.8827","0.001","3.8827","0.001","7.546","0.002","90","","90","","90","","113.76","0.05","124","2","124","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- Ba Co0.9 Cu1.1 O5 Y -","- Ba Co0.9 Cu1.1 O5 Y -","- Ba Co0.9 Cu1.1 O5 Y -","1","0.0625","TA1169","Gainsford, Graeme J.; Tallon, J. L.; Lin, C.T.","YBa(Cu~1.10~Co~0.90~)O~5~, Prepared from YBa~2~Cu~3~O~7~","Acta Crystallographica Section C","1997","53","12","1729","1730","10.1107/S0108270197010743","","","0.7093","MoKα","","0.0289","0.028","","0.0641","0.064","","","","1.316","1.339","1.339","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006891","8.715","0.006","10.229","0.005","25.007","0.012","90","","96.17","0.04","90","","2216","2","293","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl Co N4 O7 -","- C19 H26 Cl Co N4 O7 -","- C76 H104 Cl4 Co4 N16 O28 -","4","1","TA1171","Hartshorn, Richard M.; Robinson, Ward T.; Telfer, Shane G.","β-(1,10-Phenanthroline)(1,3-propanediamine-<i>N</i>,<i>N</i>'-diacetato)cobalt(III) Chloride Trihydrate","Acta Crystallographica Section C","1997","53","12","1757","1759","10.1107/S0108270197010755","","","0.71073","MoKα","","0.071","0.041","","0.129","","0.103","","","1.026","1.042","1.042","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006892","4.964","0.003","5.19","0.004","24.497","0.003","90","","90.75","0.03","90","","631.1","0.6","296.2","","296.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,12-dodecanediol","","","- C12 H26 O2 -","- C12 H26 O2 -","- C24 H52 O4 -","2","0.5","TA1172","Nakamura, Naotake; Setodoi, Shigetaka","1,12-Dodecanediol","Acta Crystallographica Section C","1997","53","12","1883","1885","10.1107/S0108270197011918","","","0.7107","MoKα","","0.097","0.049","","0.091","0.072","","","","1.606","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006893","8.332","0.001","9.524","0.001","13.539","0.002","90.02","0.01","100.32","0.02","111.33","0.01","982.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-acetatobis(dicarbonyl(pyrazole)ruthenium(I))","","- C14 H14 N4 O8 Ru2 -","- C14 H14 N4 O8 Ru2 -","- C28 H28 N8 O16 Ru4 -","2","1","TA1175","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Huang, Chao-Hao; Tung, Shu-Fang; Shiu, Kom-Bei","Di-μ-acetato-bis[dicarbonyl(pyrazole)ruthenium(I)] and Di-μ-acetato-bis[dicarbonyl(3,5-dimethylpyrazole)ruthenium(I)]","Acta Crystallographica Section C","1997","53","12","1782","1784","10.1107/S0108270197012274","","","0.7093","MoKα","","0.03","0.024","","0.06","0.059","","","","1.035","1.094","1.094","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006894","9.292","0.001","13.731","0.001","18.639","0.002","90","","90","","90","","2378.1","0.4","293","2","293","2","","","","","","","","5","B b 21 m","B -2 -2b","36","","Di-u-acetatobis(dicarbonyl(3,5-dimethylpyrazole)ruthenium(I))","","- C18 H22 N4 O8 Ru2 -","- C18 H22 N4 O8 Ru2 -","- C72 H88 N16 O32 Ru8 -","4","0.5","TA1175","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Huang, Chao-Hao; Tung, Shu-Fang; Shiu, Kom-Bei","Di-μ-acetato-bis[dicarbonyl(pyrazole)ruthenium(I)] and Di-μ-acetato-bis[dicarbonyl(3,5-dimethylpyrazole)ruthenium(I)]","Acta Crystallographica Section C","1997","53","12","1782","1784","10.1107/S0108270197012274","","","0.7093","MoKα","","0.054","0.05","","0.169","0.168","","","","1.199","1.242","1.242","","","","","has coordinates","191018","2020-10-21","18:00:00",""
"2006895","8.665","0.003","16.681","0.002","13.673","0.004","90","","98.49","0.03","90","","1954.7","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(Perchlorato-O)(1,4,7,11,13- pentaazacyclohexadecane-N,N',N'',N''',N'''') Nickel(II) Perchlorate","","- C11 H27 Cl2 N5 Ni O8 -","- C11 H27 Cl2 N5 Ni O8 -","- C44 H108 Cl8 N20 Ni4 O32 -","4","2","TA1177","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun","(1,4,7,11,13-Pentaazacyclohexadecane-κ^5^<i>N</i>)(perchlorato-κ<i>O</i>)nickel(II) Perchlorate","Acta Crystallographica Section C","1997","53","12","1778","1780","10.1107/S0108270197011141","","","0.7093","MoKα","","0.088","0.066","","0.157","0.142","","","","0.848","1.217","1.217","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006896","6.6161","0.0013","9.633","0.002","12.692","0.003","98.27","0.02","104.84","0.02","106.74","0.02","727.8","0.3","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 Br3 O3 -","- C13 H13 Br3 O3 -","- C26 H26 Br6 O6 -","2","1","TA1187","Gable, Robert W.; Lowe, David A.; Tsanaktsidis, John","<i>endo</i>-1,4,4-Tribromo-3-methyltricyclo[5.2.1.0^2,6^]dec-8-ene-5,10-dione 10-Ethylene Acetal","Acta Crystallographica Section C","1997","53","12","1916","1917","10.1107/S0108270197012286","","","0.71073","MoKα","","0.0684","0.0447","","0.1188","0.1052","","","","1.055","1.097","1.097","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006897","13.716","0.001","14.969","0.003","15.925","0.001","90","","90","","90","","3269.6","0.7","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","Chloro (1,4,7,11-tetraazacyclotetradecane-N,N',N'',N''') Zinc(II) Perchlorate","","- C10 H24 Cl2 N4 O4 Zn -","- C10 H24 Cl2 N4 O4 Zn -","- C80 H192 Cl16 N32 O32 Zn8 -","8","1","VJ1073","Lu, Tian-Huey; Panneerselvam, Kaliyamoorthy; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun","Chloro(1,4,7,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc(II) Perchlorate","Acta Crystallographica Section C","1997","53","12","1780","1782","10.1107/S010827019701192X","","","0.7107","MoKα","","0.09","0.054","","0.143","0.137","","","","0.936","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2019340","10.241","0.004","8.649","0.003","13.848","0.005","90","","109.93","0.03","90","","1153.1","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sodium Indium Diarsenate","","- As4 In2 Na2 O14 -","- As4 In2 Na2 O14 -","- As16 In8 Na8 O56 -","4","0.5","","Belam, W.; Driss, A.; Jouini, T.","NaInAs2O7","Acta Crystallographica Section C Crystal Structure Communications","1997","53","1","5","","10.1107/S0108270196009900","","","0.71069","MoKα","","0.054","0.0377","","0.1011","0.0944","","","","1.123","1.203","1.203","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2021868","6.8175","0.0008","10.762","0.002","13.71","0.002","90","","90","","90","","1005.9","0.3","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bromo-n-propionamido-α-alaninatocopper(II)","","- C6 H11 Br Cu N2 O3 -","- C6 H11 Br Cu N2 O3 -","- C24 H44 Br4 Cu4 N8 O12 -","4","1","DE1047","Chen, W.; Lim, M.-C.","Bromo(n-propionamido-α-alaninato)copper(II) and its Hydrate","Acta Crystallographica Section C Crystal Structure Communications","1997","53","5","537","","10.1107/S0108270196015429","","","0.71073","MoKα","","0.0385","0.0292","","0.0545","0.0516","","","","1.096","1.12","1.12","","","","","has coordinates","246029","2020-10-21","18:00:00",""
"2021869","7.6203","0.0004","10.2094","0.0009","14.045","0.002","90","","90","","90","","1092.68","0.19","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","'Bromo-n-propionamido-α-alaninatocopper(II) hydrate'","","- C6 H13 Br Cu N2 O4 -","- C6 H11 Br Cu N2 O4 -","- C24 H44 Br4 Cu4 N8 O16 -","4","1","DE1047","Chen, W.; Lim, M.-C.","Bromo(n-propionamido-α-alaninato)copper(II) and its Hydrate","Acta Crystallographica Section C Crystal Structure Communications","1997","53","5","537","","10.1107/S0108270196015429","","","0.71073","MoKα","","0.0513","0.0478","","0.1167","0.1148","","","","1.074","1.097","1.097","","","","","has coordinates","246029","2020-10-21","18:00:00",""