# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-18T00:44:55+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 Section C Structural Chemistry') AND volume = 73 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
"2020684","8.7561","0.0005","9.0016","0.0005","12.8869","0.0007","90","","90","","90","","1015.73","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzyl-2-iodoimidazole","1-Benzyl-2-iodo-1<i>H</i>-imidazole","","- C10 H9 I N2 -","- C10 H9 I N2 -","- C40 H36 I4 N8 -","4","1","KU3188","Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric","C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives","Acta Crystallographica Section C","2017","73","1","2","8","10.1107/S2053229616018702","","","0.71073","MoKα","","0.0132","0.0129","","","0.0299","0.03","","","","","","1.051","","","","has coordinates,has Fobs","191419","2020-10-21","18:00:00",""
"2020685","8.4574","0.0005","6.1526","0.0003","19.4261","0.001","90","","96.362","0.001","90","","1004.61","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-Benzyl-4-iodobenzimidazole","1-Benzyl-4-iodo-1<i>H</i>-benzimidazole","","- C10 H9 I N2 -","- C10 H9 I N2 -","- C40 H36 I4 N8 -","4","1","","Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric","C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives","Acta Crystallographica Section C","2017","73","1","2","8","10.1107/S2053229616018702","","","0.71073","MoKα","","0.0172","0.0161","","","0.0363","0.0367","","","","","","1.106","","","","has coordinates,has Fobs","191419","2020-10-21","18:00:00",""
"2020686","6.4606","0.0008","8.2346","0.001","12.3451","0.0014","108.064","0.001","94.174","0.002","95.366","0.002","618.05","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","N-Benzyl-2-iodobenzimidazole","1-Benzyl-2-iodo-1<i>H</i>-benzimidazole","","- C14 H11 I N2 -","- C14 H11 I N2 -","- C28 H22 I2 N4 -","2","1","","Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric","C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives","Acta Crystallographica Section C","2017","73","1","2","8","10.1107/S2053229616018702","","","0.71073","MoKα","","0.0159","0.0154","","","0.0386","0.0389","","","","","","1.09","","","","has coordinates,has Fobs","191419","2020-10-21","18:00:00",""
"2020687","30.5388","0.0009","8.0984","0.0002","15.081","0.0004","90","","90","","90","","3729.76","0.17","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamethazine pyridine monosolvate","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide pyridine monosolvate","","- C17 H19 N5 O2 S -","- C17 H19 N5 O2 S -","- C136 H152 N40 O16 S8 -","8","2","WQ3116","Patel, Urmila H.; Purohit, Ketankumar P.","Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine","Acta Crystallographica Section C","2017","73","1","9","12","10.1107/S2053229616015898","","","0.71073","MoKα","","0.0854","0.0472","","","0.091","0.1045","","","","","","1","","","","has coordinates,has Fobs","191424","2020-10-21","18:00:00",""
"2020688","9.692","0.0002","25.1673","0.0006","7.9853","0.0002","90","","90","","90","","1947.79","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sulfamethazine pyridine monosolvate","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide pyridine monosolvate","","- C18 H21 N5 O2 S -","- C18 H21 N5 O2 S -","- C72 H84 N20 O8 S4 -","4","1","","Patel, Urmila H.; Purohit, Ketankumar P.","Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine","Acta Crystallographica Section C","2017","73","1","9","12","10.1107/S2053229616015898","","","0.71073","MoKα","","0.0406","0.0366","","","0.0987","0.1021","","","","","","1.03","","","","has coordinates,has Fobs","191424","2020-10-21","18:00:00",""
"2020689","8.843","0.003","17.485","0.005","5.041","0.003","90","","90","","90","","779.4","0.6","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-Methyl-<i>N</i>-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine","","- C6 H9 N3 S -","- C6 H9 N3 S -","- C24 H36 N12 S4 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0492","0.042","","","0.0994","0.1045","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020690","7.235","0.003","7.548","0.003","10.297","0.004","105.42","0.03","98.15","0.03","112.43","0.03","482","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-5-methyl-<i>N</i>-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine]bis[nitratocopper(I)]","","- C12 H18 Cu2 N8 O6 S2 -","- C12 H18 Cu2 N8 O6 S2 -","- C12 H18 Cu2 N8 O6 S2 -","1","0.5","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0466","0.0343","","","0.0903","0.0956","","","","","","1.056","","","","has coordinates,has Fobs","191418","2020-10-21","18:00:00",""
"2020691","7.754","0.003","7.965","0.003","10.372","0.004","67.57","0.03","89.99","0.03","61.07","0.03","504.6","0.4","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","Bis[μ-5-methyl-<i>N</i>-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine]bis[(tetrafluoroborato)copper(I)]","","- C12 H18 B2 Cu2 F8 N6 S2 -","- C12 H18 B2 Cu2 F8 N6 S2 -","- C12 H18 B2 Cu2 F8 N6 S2 -","1","0.5","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0269","0.0223","","","0.0604","0.0614","","","","","","1.065","","","","has coordinates,has Fobs","191418","2020-10-21","18:00:00",""
"2020692","7.379","0.003","18.78","0.005","14.702","0.004","90","","94.82","0.03","90","","2030.2","1.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Aqua-bis{μ-5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine}bis[nitratocopper(I)]","","- C10 H16 Cu2 N8 O7 S4 -","- C10 H16 Cu2 N8 O7 S4 -","- C40 H64 Cu8 N32 O28 S16 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.075","0.0452","","","0.0975","0.1145","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020693","11.899","0.004","11.442","0.004","17.678","0.005","90","","102.04","0.03","90","","2353.9","1.3","260","2","260.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","μ-Aqua-(hexafluorosilicato)bis{μ-5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine}dicopper(I) acetonitrile hemisolvate dihydrate","","- C11 H19.5 Cu2 F6 N6.5 O3 S4 Si -","- C11 H19.5 Cu2 F6 N6.5 O3 S4 Si -","- C44 H78 Cu8 F24 N26 O12 S16 Si4 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","0.71073","MoKα","","0.0633","0.0369","","","0.0828","0.0869","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020694","14.944","0.004","16.587","0.005","14.658","0.004","90","","117.91","0.03","90","","3210.7","1.8","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Benzenesulfonato-bis{μ-5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine}dicopper(I) benzenesulfonate methanol monosolvate monohydrate","","- C23 H30 Cu2 N6 O8 S6 -","- C23 H30 Cu2 N6 O8 S6 -","- C92 H120 Cu8 N24 O32 S24 -","4","1","","Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian","Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core","Acta Crystallographica Section C","2017","73","1","36","46","10.1107/S2053229616018751","","","1.54184","CuKα","","0.0631","0.0573","","","0.1596","0.1661","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","191418","2020-10-21","18:00:00",""
"2020695","11.4261","0.0005","8.1847","0.0003","16.8243","0.0006","90","","93.067","0.002","90","","1571.14","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(9<i>RS</i>,15<i>RS</i>)-9-Ethyl-11-methyl-9,13b-dihydrodibenzo[<i>c</i>,<i>f</i>]thiazolo[3,2-<i>a</i>]azepin-3(2<i>H</i>)-one","","- C19 H19 N O S -","- C19 H19 N O S -","- C76 H76 N4 O4 S4 -","4","2","SK3643","Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher","Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation","Acta Crystallographica Section C","2017","73","1","28","35","10.1107/S2053229616018143","","","0.71073","MoKα","","0.0299","0.0289","","","0.0781","0.0788","","","","","","1.046","","","","has coordinates,has Fobs","191423","2020-10-21","18:00:00",""
"2020696","18.1021","0.0012","12.4436","0.0008","14.8429","0.0009","90","","97.645","0.003","90","","3313.7","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(9<i>RS</i>,15<i>RS</i>)-9-Ethyl-7,12-dimethyl-9,13b-dihydrodibenzo[<i>c</i>,<i>f</i>]thiazolo[3,2-<i>a</i>]azepin-3(2<i>H</i>)-one","","- C20 H21 N O S -","- C20 H21 N O S -","- C160 H168 N8 O8 S8 -","8","1","SK3643","Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher","Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation","Acta Crystallographica Section C","2017","73","1","28","35","10.1107/S2053229616018143","","","0.71073","MoKα","","0.0957","0.0601","","","0.1438","0.168","","","","","","1.047","","","","has coordinates,has Fobs","191423","2020-10-21","18:00:00",""
"2020697","6.8533","0.0016","10.612","0.005","13.561","0.003","72.45","0.04","75.84","0.019","82.46","0.02","910","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-chloro-13-ethyl-4-oxo-8,13-dihydro-4<i>H</i>-benzo[5,6]azepino[3,2,1-<i>ij</i>]quinoline-5-carboxylate","","- C22 H20 Cl N O3 -","- C22 H20 Cl N O3 -","- C44 H40 Cl2 N2 O6 -","2","1","SK3643","Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher","Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation","Acta Crystallographica Section C","2017","73","1","28","35","10.1107/S2053229616018143","","","0.71073","MoKα","","0.1365","0.0651","","","0.0973","0.1181","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","191423","2020-10-21","18:00:00",""
"2020698","39.3876","0.0019","9.6153","0.0008","29.5299","0.0016","90","","130.719","0.007","90","","8476.3","1.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[carbonylruthenium(II)]-μ-2,7,12,17-tetrakis[2-(ethoxycarbonyl)ethyl]-3,8,13,18-tetramethylporphyrinato-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''':<i>O</i>]","","- C45 H52 N4 O9 Ru -","- C45 H52 N4 O9 Ru -","- C360 H416 N32 O72 Ru8 -","8","1","FA3396","Andreev, Sergey V.; Zverev, Sergey A.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Polymeric structure of a coproporphyrin I ruthenium(II) complex: a powder diffraction study","Acta Crystallographica Section C","2017","73","1","47","51","10.1107/S2053229616019422","powder diffraction","","0.399927","synchrotron","","","","","","","","","","3.0929","","","","","","","has coordinates,has Fobs","191422","2020-10-21","18:00:00",""
"2020699","6.545","0.0004","9.3526","0.0006","12.782","0.0008","94.047","0.005","93.143","0.005","95.735","0.005","775.05","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[(3,4-Dimethoxyphenyl)carbamothioyl]benzamide","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C32 H32 N4 O6 S2 -","2","1","CU3106","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław; Becker, Barbara","Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea","Acta Crystallographica Section C","2017","73","1","52","56","10.1107/S2053229616019495","","","0.71073","MoKα","","0.109","0.0709","","","0.1693","0.2094","","","","","","1.039","","","","has coordinates,has Fobs","191420","2020-10-21","18:00:00",""
"2020700","22.415","0.0017","8.1479","0.0005","13.4592","0.0009","90","","102.618","0.007","90","","2398.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(2-Hydroxypropyl)carbamothioyl]benzamide","","- C11 H14 N2 O2 S -","- C11 H14 N2 O2 S -","- C88 H112 N16 O16 S8 -","8","2","CU3106","Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław; Becker, Barbara","Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea","Acta Crystallographica Section C","2017","73","1","52","56","10.1107/S2053229616019495","","","0.71073","MoKα","","0.1103","0.0657","","","0.1783","0.22","","","","","","1.037","","","","has coordinates,has Fobs","191420","2020-10-21","18:00:00",""
"2020701","8.437","0.0002","23.5403","0.0004","10.3281","0.0002","90","","98.1871","0.0007","90","","2030.35","0.07","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{4-[(Butylamino)(diethoxyphosphoryl)methyl]phenyl}boronic acid monohydrate","","- C15 H29 B N O6 P -","- C15 H29 B N O6 P -","- C60 H116 B4 N4 O24 P4 -","4","1","","Zhang, Rui; Zhang, Yundi; Ge, Chunhua; Miao, Jinpeng; Zhang, Xiangdong","Two closely related {4-[(<i>N</i>-substituted amino)(diethoxyphosphoryl)methyl]phenyl}boronic acids","Acta Crystallographica Section C","2017","73","1","57","60","10.1107/S2053229616019707","","","0.71073","MoKα","","0.0733","0.067","","","0.1646","0.1715","","","","","","1.093","","","","has coordinates,has Fobs","191421","2020-10-21","18:00:00",""
"2020702","10.259","0.0008","14.5721","0.0014","27.577","0.003","90","","90","","90","","4122.6","0.7","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","{4-[(Diethoxyphosphoryl)(4-nitroanilino)methyl]phenyl}boronic acid","","- C17 H22 B N2 O7 P -","- C17 H22 B N2 O7 P -","- C136 H176 B8 N16 O56 P8 -","8","1","","Zhang, Rui; Zhang, Yundi; Ge, Chunhua; Miao, Jinpeng; Zhang, Xiangdong","Two closely related {4-[(<i>N</i>-substituted amino)(diethoxyphosphoryl)methyl]phenyl}boronic acids","Acta Crystallographica Section C","2017","73","1","57","60","10.1107/S2053229616019707","","","0.71073","MoKα","","0.117","0.0599","","","0.1424","0.1968","","","","","","1.093","","","","has coordinates,has Fobs","191421","2020-10-21","18:00:00",""
"2020704","29.525","0.002","4.94","0.0008","25.663","0.0011","90","","117.225","0.001","90","","3328.4","0.6","295","2","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","{2,3,7,8,12,13,17,18-Octaethyl-5-[(methylimino)methyl]porphyrinato-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^}palladium(II)","","- C38 H47 N5 Pd -","- C38 H47 N5 Pd -","- C152 H188 N20 Pd4 -","4","0.5","CU3109","Erzina, Dina R.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Tafeenko, Victor A.","Structural explanation of the spectral features of the nonsymmetrical complex {2,3,7,8,12,13,17,18-octaethyl-5-[(methylimino)methyl]porphyrinato-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^}palladium(II)","Acta Crystallographica Section C","2017","73","2","68","71","10.1107/S2053229616020465","","","1.54186","CuKα","","0.0835","0.0632","","","0.1662","0.1828","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2020705","9.4371","0.0011","18.909","0.002","14.4981","0.0015","90","","104.162","0.002","90","","2508.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(μ~5~-1,1'-biphenyl-2,2',4,4'-tetracarboxylato)bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]dizinc(II)]","","- C28 H16 N4 O8 Zn2 -","- C28 H16 N4 O8 Zn2 -","- C112 H64 N16 O32 Zn8 -","4","0.5","EG3213","Su, Feng; Lu, Liping; Zhou, Chengyong; Wang, Xiaoxia; Sun, Long; Han, Chun","A three-dimensional Zn^II^ coordination polymer constructed from 1,1'-biphenyl-2,2',4,4'-tetracarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands exhibiting photoluminescence","Acta Crystallographica Section C","2017","73","2","72","77","10.1107/S2053229617000213","","","0.71073","MoKα","","0.0498","0.0347","","","0.0868","0.0952","","","","","","1.003","","","","has coordinates,has Fobs","193977","2020-10-21","18:00:00",""
"2020706","12.8212","0.0005","10.5085","0.0004","10.6608","0.0005","90","","90","","90","","1436.35","0.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(2-Hydroxybenzoyl)carbonohydrazonodithioate","","- C12 H16 N2 O2 S2 -","- C12 H16 N2 O2 S2 -","- C48 H64 N8 O8 S8 -","4","1","FN3226","Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid","Acta Crystallographica Section C","2017","73","2","84","90","10.1107/S2053229616020556","","","1.54178","CuKα","","0.0293","0.0291","","","0.0809","0.0814","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","193974","2020-10-21","18:00:00",""
"2020707","13.2762","0.0002","12.6138","0.0002","10.1742","0.0002","90","","108.597","0.0009","90","","1614.84","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-Benzyl methyl (2-hydroxybenzoyl)carbonohydrazonodithioate","","- C16 H16 N2 O2 S2 -","- C16 H16 N2 O2 S2 -","- C64 H64 N8 O8 S8 -","4","1","","Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid","Acta Crystallographica Section C","2017","73","2","84","90","10.1107/S2053229616020556","","","1.54178","CuKα","","0.0366","0.0354","","","0.102","0.1043","","","","","","1.051","","","","has coordinates,has Fobs","193974","2020-10-21","18:00:00",""
"2020708","8.795","0.0018","10.254","0.002","14.044","0.003","74.95","0.03","76.74","0.03","88.99","0.03","1189.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Dibenzyl (2-hydroxybenzoyl)carbonohydrazonodithioate propan-2-ol monosolvate","","- C25 H28 N2 O3 S2 -","- C25 H28 N2 O3 S2 -","- C50 H56 N4 O6 S4 -","2","1","","Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.","Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid","Acta Crystallographica Section C","2017","73","2","84","90","10.1107/S2053229616020556","","","1.54178","CuKα","","0.0339","0.0334","","","0.1272","0.1277","","","","","","1.756","","","","has coordinates,has Fobs","193974","2020-10-21","18:00:00",""
"2020709","9.491","0.0012","18.7233","0.0013","11.9855","0.0017","90","","101.315","0.003","90","","2088.5","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ-1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-5-methylisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)]","","- C22 H26 N4 O4 Zn -","- C22 H26 N4 O4 Zn -","- C88 H104 N16 O16 Zn4 -","4","1","FM3047","Tan, Xiong-Wen; Li, Heng-Feng; Li, Chang-Hong","Two new isomeric zinc(II) metal‒organic frameworks based on 1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane and 5-methylisophthalate ligands","Acta Crystallographica Section C","2017","73","2","78","83","10.1107/S2053229616020520","","","0.71073","MoKα","","0.0635","0.0533","","","0.1023","0.1035","","","","","","1.043","","","","has coordinates","193976","2020-10-21","18:00:00",""
"2020710","11.1005","0.0017","17.486","0.003","16.372","0.002","90","","95.625","0.002","90","","3162.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[μ-1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~3~-5-methylisophthalato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^)(μ~3~-5-methylisophthalato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)dizinc(II)]","","- C31 H32 N4 O8 Zn2 -","- C31 H32 N4 O8 Zn2 -","- C124 H128 N16 O32 Zn8 -","4","1","","Tan, Xiong-Wen; Li, Heng-Feng; Li, Chang-Hong","Two new isomeric zinc(II) metal‒organic frameworks based on 1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane and 5-methylisophthalate ligands","Acta Crystallographica Section C","2017","73","2","78","83","10.1107/S2053229616020520","","","0.71073","MoKα","","0.063","0.0343","","","0.0742","0.0862","","","","","","1.003","","","","has coordinates,has disorder","193976","2020-10-21","18:00:00",""
"2020713","10.174","0.002","12.538","0.003","13.665","0.003","63.45","0.03","77.06","0.03","73.02","0.03","1482.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis{1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}copper(II)]-μ-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]","","- C28 H28 Cu N10 O7 -","- C28 H28 Cu N10 O7 -","- C56 H56 Cu2 N20 O14 -","2","1","","Li, Jian-Hua; Zhu, Meng-Di; Huang, Qiu-Ying","A new one-dimensional Cu^II^ complex with a three-dimensional supramolecular architecture incorporating benzene-1,3-dicarboxylate and 1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole","Acta Crystallographica Section C","2017","73","2","91","96","10.1107/S2053229617000997","","","0.71073","MoKα","","0.0789","0.0598","","","0.1352","0.148","","","","","","1.033","","","","has coordinates,has Fobs","193973","2020-10-21","18:00:00",""
"2020715","17.4366","0.0004","22.7127","0.0005","8.8598","0.0002","90","","90","","90","","3508.77","0.14","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-Benzyl-<i>P</i>-phenyl-<i>N</i>'-(<i>p</i>-tolyl)phosphonic diamide","","- C20 H21 N2 O P -","- C20 H21 N2 O P -","- C160 H168 N16 O8 P8 -","8","2","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0425","0.0355","","","0.084","0.0885","","","","","","1.025","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020716","18.7952","0.0003","18.7952","0.0003","8.5279","0.0003","90","","90","","90","","3012.56","0.13","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","Diphenylphosphinic 1-methylpropylamide","","- C16 H20 N O P -","- C16 H20 N O P -","- C128 H160 N8 O8 P8 -","8","1","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0588","0.0543","","","0.1412","0.1462","","","","","","1.091","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020717","5.3629","0.0001","13.726","0.0003","27.8653","0.0006","90","","90","","90","","2051.2","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-Phenylethylammonium <i>N</i>-[(<i>S</i>)-1-phenylethyl]phenylphosphonamidate","","- C22 H27 N2 O2 P -","- C22 H27 N2 O2 P -","- C88 H108 N8 O8 P4 -","4","1","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0336","0.0305","","","0.0743","0.0764","","","","","","1.045","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020718","6.0483","0.0001","18.854","0.0005","15.4364","0.0005","90","","97.231","0.001","90","","1746.28","0.08","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-methylbenzyl ammonium diphenylphosphinate","(4-Methylbenzyl)ammonium diphenylphosphinate","","- C20 H22 N O2 P -","- C20 H22 N O2 P -","- C80 H88 N4 O8 P4 -","4","1","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0592","0.0413","","","0.0905","0.1007","","","","","","1.084","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020719","13.0725","0.0007","12.3992","0.0006","30.0047","0.0016","90","","99.734","0.005","90","","4793.4","0.4","99.97","0.18","99.97","0.18","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(triphenylphosphane-κ<i>P</i>)[<i>trans</i>-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline-κ^2^<i>N</i>^2^,<i>N</i>^3^]copper(I) hexafluorophosphate","","- C54 H45 Cu F6 N5 P3 -","- C54 H45 Cu F6 N5 P3 -","- C216 H180 Cu4 F24 N20 P12 -","4","1","WQ3130","Báez-Castro, Alberto; Baldenebro-López, Jesús; Ceballos-Mendivil, Laura; Román-Bravo, Perla P.; Höpfl, Herbert; Miranda-Soto, Valentín; Glossman-Mitnik, Daniel; Cruz-Enríquez, Adriana; Campos-Gaxiola, José J.","Synthesis, crystal structure, DFT studies and photophysical properties of a copper(I)‒triphenylphosphane complex based on <i>trans</i>-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617002522","","","0.71073","MoKα","","0.0628","0.0498","","","0.1174","0.1272","","","","","","1.038","","","","has coordinates,has Fobs","192430","2020-10-21","18:00:00",""
"2020720","19.7282","0.0006","9.7644","0.0003","20.7157","0.0007","90","","90","","90","","3990.5","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-Fluorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine","","- C21 H19 F4 N3 O2 S -","- C21 H19 F4 N3 O2 S -","- C168 H152 F32 N24 O16 S8 -","8","1","YF3117","Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2017","73","3","298","304","10.1107/S205322961700273X","","","0.71073","MoKα","","0.0987","0.0581","","","0.1592","0.2102","","","","","","1.117","","","","has coordinates,has Fobs","192748","2020-10-21","18:00:00",""
"2020721","5.4468","0.0002","11.4102","0.0004","34.3009","0.0009","90","","90","","90","","2131.77","0.12","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1-(4-Chlorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine","","- C21 H19 Cl F3 N3 O2 S -","- C21 H19 Cl F3 N3 O2 S -","- C84 H76 Cl4 F12 N12 O8 S4 -","4","1","YF3117","Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2017","73","3","298","304","10.1107/S205322961700273X","","","0.71073","MoKα","","0.0649","0.0392","","","0.0812","0.0931","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","192748","2020-10-21","18:00:00",""
"2020722","13.8408","0.001","8.7145","0.0006","18.0898","0.0013","90","","106.47","0.002","90","","2092.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(3-methylphenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine","","- C22 H22 F3 N3 O2 S -","- C22 H22 F3 N3 O2 S -","- C88 H88 F12 N12 O8 S4 -","4","1","YF3117","Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2017","73","3","298","304","10.1107/S205322961700273X","","","0.71073","MoKα","","0.0809","0.0437","","","0.0945","0.1118","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","211400","2020-10-21","18:00:00",""
"2020723","7.6678","0.0004","11.5007","0.0005","15.7874","0.0008","96.249","0.003","96.752","0.003","90.796","0.003","1373.84","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Fluorophenyl)-1-(naphthalen-2-yl)prop-2-en-1-one","","- C19 H13 F O -","- C19 H13 F O -","- C76 H52 F4 O4 -","4","2","SK3650","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions","Acta Crystallographica Section C","2017","73","2","115","120","10.1107/S205322961700105X","","","0.71073","MoKα","","0.1211","0.0548","","","0.1353","0.1821","","","","","","1.055","","","","has coordinates,has Fobs","193921","2020-10-21","18:00:00",""
"2020724","5.8714","0.0005","7.8616","0.0007","15.5954","0.0013","95.007","0.005","90.218","0.005","92.179","0.005","716.58","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Bromophenyl)-1-(naphthalen-2-yl)prop-2-en-1-one","","- C19 H13 Br O -","- C19 H13 Br O -","- C38 H26 Br2 O2 -","2","1","SK3650","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions","Acta Crystallographica Section C","2017","73","2","115","120","10.1107/S205322961700105X","","","0.71073","MoKα","","0.1039","0.0489","","","0.0705","0.0822","","","","","","1.051","","","","has coordinates,has Fobs","193921","2020-10-21","18:00:00",""
"2020725","5.8271","0.0003","7.4489","0.0004","15.2068","0.0009","79.745","0.003","84.427","0.003","85.763","0.003","645.36","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(Naphthalen-2-yl)-3-(thiophen-2-yl)prop-2-en-1-one","","- C17 H12 O S -","- C17 H12 O S -","- C34 H24 O2 S2 -","2","1","SK3650","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions","Acta Crystallographica Section C","2017","73","2","115","120","10.1107/S205322961700105X","","","0.71073","MoKα","","0.0727","0.0575","","","0.1322","0.1404","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","193921","2020-10-21","18:00:00",""
"2020726","7.7669","0.0006","9.1516","0.0006","12.4114","0.0009","99.665","0.003","104.29","0.003","93.968","0.003","837.1","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Cobalt complex, 1","Tetrakis(acetonitrile-κ<i>N</i>)bis(tetrahydrofuran-κ<i>O</i>)cobalt(II) bis[(acetonitrile-κ<i>N</i>)trichloridocobaltate(II)]","","- C20 H34 Cl6 Co3 N6 O2 -","- C20 H34 Cl6 Co3 N6 O2 -","- C20 H34 Cl6 Co3 N6 O2 -","1","0.5","KY3112","Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications","Acta Crystallographica Section C","2017","73","2","104","114","10.1107/S2053229617000705","","","0.71073","MoKα","","0.0277","0.0214","","","0.0506","0.0528","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","193922","2020-10-21","18:00:00",""
"2020727","16.5619","0.0009","9.4778","0.0005","15.6842","0.0009","90","","116.411","0.002","90","","2205","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cobalt complex 2","<i>catena</i>-Poly[[tetrakis(propan-2-ol-κ<i>O</i>)cobalt(II)]-μ-chlorido-[dichloridocobalt(II)]-μ-chlorido]","","- C12 H32 Cl4 Co2 O4 -","- C12 H32 Cl4 Co2 O4 -","- C48 H128 Cl16 Co8 O16 -","4","0.5","KY3112","Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications","Acta Crystallographica Section C","2017","73","2","104","114","10.1107/S2053229617000705","","","0.71073","MoKα","","0.0349","0.0266","","","0.07","0.073","","","","","","1.078","","","","has coordinates,has Fobs","193922","2020-10-21","18:00:00",""
"2020728","14.733","0.003","9.6318","0.0017","15.993","0.004","90","","93.737","0.008","90","","2264.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cobalt complex 3","Di-μ-chlorido-1:2κ^4^<i>Cl</i>:<i>Cl</i>-dichlorido-2κ^2^<i>Cl</i>-tetrakis(tetrahydrofuran-1κ<i>O</i>)dicobalt(II)","","- C16 H32 Cl4 Co2 O4 -","- C16 H32 Cl4 Co2 O4 -","- C64 H128 Cl16 Co8 O16 -","4","1","KY3112","Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications","Acta Crystallographica Section C","2017","73","2","104","114","10.1107/S2053229617000705","","","0.71073","MoKα","","0.1222","0.058","","","0.1182","0.1328","","","","","","0.936","","","","has coordinates,has Fobs","193922","2020-10-21","18:00:00",""
"2020729","10.9626","0.0005","10.2601","0.0004","8.7673","0.0004","90","","91.421","0.002","90","","985.82","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethylenediaminium 2,2'-thiodiacetate","","- C6 H14 N2 O4 S -","- C6 H14 N2 O4 S -","- C24 H56 N8 O16 S4 -","4","1","QS3058","Gomathi, V.; Theivarasu, C.","Hydrogen-bonded assemblies in the molecular crystals of 2,2'-thiodiacetic acid with ethylenediamine and <i>o</i>-phenylenediamine","Acta Crystallographica Section C","2017","73","2","97","103","10.1107/S2053229617000559","","","0.71073","MoKα","","0.0311","0.0262","","","0.0655","0.0705","","","","","","1.057","","","","has coordinates,has Fobs","193923","2020-10-21","18:00:00",""
"2020730","4.9006","0.0004","12.9808","0.001","18.9837","0.0015","90","","92.978","0.008","90","","1205.99","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Aminoanilinium 2-(carboxymethylsulfanyl)acetate","","- C10 H14 N2 O4 S -","- C10 H14 N2 O4 S -","- C40 H56 N8 O16 S4 -","4","1","QS3058","Gomathi, V.; Theivarasu, C.","Hydrogen-bonded assemblies in the molecular crystals of 2,2'-thiodiacetic acid with ethylenediamine and <i>o</i>-phenylenediamine","Acta Crystallographica Section C","2017","73","2","97","103","10.1107/S2053229617000559","","","0.71073","MoKα","","0.0889","0.0457","","","0.0808","0.0992","","","","","","0.945","","","","has coordinates,has disorder,has Fobs","193923","2020-10-21","18:00:00",""
"2020731","14.1632","0.0004","14.1632","0.0004","14.1632","0.0004","90","","90","","90","","2841.08","0.14","200","2","200","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cd23 Ce6 Te -","- Cd23 Ce6 Te -","- Cd92 Ce24 Te4 -","4","0.0208333","FN3229","Desroches, Griffen; Bobev, Svilen","Synthesis and structure determination of Ce~6~Cd~23~Te: a new chalcogen-containing member of the <i>RE</i>~6~Cd~23~T family (<i>RE</i> is a rare-earth metal and T is a late group 14, 15 and 16 element)","Acta Crystallographica Section C","2017","73","2","121","125","10.1107/S2053229617001243","","","0.71073","MoKα","","0.0214","0.0189","","","0.0417","0.0423","","","","","","1.164","","","","has coordinates,has Fobs","193924","2020-10-21","18:00:00",""
"2020732","12.98","0.003","12.98","0.003","29.734","0.006","90","","90","","90","","5009.6","1.9","293","","293","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione toluene hemisolvate","","- C25.5 H28 N2 O7 S -","- C25.5 H28 N2 O7 S -","- C204 H224 N16 O56 S8 -","8","1","FM3048","Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs","Acta Crystallographica Section C Structural Chemistry","2017","73","4","","","10.1107/S2053229617002984","","","0.71073","MoKα","","0.1815","0.0985","","","0.1824","0.2244","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","194035","2020-10-21","18:00:00",""
"2020733","13.171","0.003","13.171","0.003","29.524","0.006","90","","90","","90","","5122","2","293.15","","293.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione dichloromethane monosolvate","","- C23 H26 Cl2 N2 O7 S -","- C23 H26 Cl2 N2 O7 S -","- C184 H208 Cl16 N16 O56 S8 -","8","1","FM3048","Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs","Acta Crystallographica Section C Structural Chemistry","2017","73","4","","","10.1107/S2053229617002984","","","0.71073","MoKα","","0.1072","0.0571","","","0.1132","0.1347","","","","","","0.998","","","","has coordinates,has Fobs","194035","2020-10-21","18:00:00",""
"2020734","13.0307","0.0018","13.0307","0.0018","29.754","0.006","90","","90","","90","","5052.2","1.4","293.15","","293.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","(<i>S</i>)-2-[1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-4-acetamidoisoindoline-1,3-dione ethyl acetate hemisolvate","","- C24 H28 N2 O8 S -","- C24 H28 N2 O8 S -","- C192 H224 N16 O64 S8 -","8","1","FM3048","Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua","The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs","Acta Crystallographica Section C Structural Chemistry","2017","73","4","","","10.1107/S2053229617002984","","","0.71073","MoKα","","0.104","0.0576","","","0.1208","0.1431","","","","","","0.957","","","","has coordinates,has disorder,has Fobs","194035","2020-10-21","18:00:00",""
"2020735","11.756","0.002","11.764","0.002","17.407","0.004","90","","90","","90","","2407.3","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}dibromidomercury(II)","","- C20 H18 Br2 Hg N10 -","- C20 H18 Br2 Hg N10 -","- C80 H72 Br8 Hg4 N40 -","4","0.5","","Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru","Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617003199","","","0.71073","MoKα","","0.0557","0.0421","","","0.0803","0.0858","","","","","","1.178","","","","has coordinates,has Fobs","194036","2020-10-21","18:00:00",""
"2020736","12.103","0.002","11.827","0.002","17.862","0.004","90","","90","","90","","2556.8","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis{1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole-κ<i>N</i>^3^}diiodidomercury(II)","","- C20 H18 Hg I2 N10 -","- C20 H18 Hg I2 N10 -","- C80 H72 Hg4 I8 N40 -","4","0.5","","Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru","Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617003199","","","0.71073","MoKα","","0.0526","0.048","","","0.0842","0.0862","","","","","","1.28","","","","has coordinates,has Fobs","194036","2020-10-21","18:00:00",""
"2020737","8.3617","0.0008","8.7261","0.0008","8.859","0.0008","104.451","0.001","94.187","0.001","112.344","0.001","568.69","0.09","215","2","215","2","","","","","","","","4","P 1","P 1","1","","5,6-Bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole","","- C30 H18 N4 S -","- C30 H18 N4 S -","- C30 H18 N4 S -","1","1","YF3115","Averkiev, Boris B.; Davydenko, Iryna; Wang, Xu; Barlow, Stephen; Marder, Seth R.","Crystal structure of 5,6-bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole: distortion from a hypothetical higher-symmetry structure","Acta Crystallographica Section C","2017","73","4","319","324","10.1107/S2053229617003035","","","0.71073","MoKα","","0.0385","0.0367","","","0.0947","0.0974","","","","","","1.042","","","","has coordinates,has Fobs","196536","2020-10-21","18:00:00",""
"2020738","28.338","0.003","12.9466","0.0012","26.799","0.003","90","","113.336","0.001","90","","9027.8","1.6","215","2","215","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,6-Bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole 0.125-hydrate","","- C30 H18.25 N4 O0.12 S -","- C30 H18.25 N4 O0.125 S -","- C480 H292 N64 O2 S16 -","16","2","YF3115","Averkiev, Boris B.; Davydenko, Iryna; Wang, Xu; Barlow, Stephen; Marder, Seth R.","Crystal structure of 5,6-bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole: distortion from a hypothetical higher-symmetry structure","Acta Crystallographica Section C","2017","73","4","319","324","10.1107/S2053229617003035","","","0.71073","MoKα","","0.0599","0.0479","","","0.1239","0.1332","","","","","","1.018","","","","has coordinates","196536","2020-10-21","18:00:00",""
"2020740","16.6534","0.0008","7.4129","0.0003","7.6073","0.0004","90","","97.795","0.004","90","","930.44","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-aminophenylarsonic acid hydrochloride","4-Arsonoanilinium chloride","","- C6 H9 As Cl N O3 -","- C6 H9 As Cl N O3 -","- C24 H36 As4 Cl4 N4 O12 -","4","1","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0342","0.0283","","","0.0655","0.0684","","","","","","1.057","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020741","15.0784","0.0006","11.2302","0.0004","8.6756","0.0004","90","","99.305","0.004","90","","1449.74","0.1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","copper(II) sulfate <i>p</i>-arsanilate dihydrate","Hexaaquacopper(II) bis(4-arsonoanilinium) disulfate dihydrate","","- C12 H34 As2 Cu N2 O22 S2 -","- C12 H34 As2 Cu N2 O22 S2 -","- C24 H68 As4 Cu2 N4 O44 S4 -","2","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0334","0.0274","","","0.063","0.0658","","","","","","1.054","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020742","7.6315","0.0004","7.1244","0.0004","38.0925","0.0015","90","","90","","90","","2071.08","0.18","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","bis(4-arsonoanilinium) tetrachlorocuprate(II)","Poly[bis(4-arsonoanilinium) [tetra-μ-chlorido-cuprate(II)]]","","- C12 H18 As2 Cl4 Cu N2 O6 -","- C12 H18 As2 Cl4 Cu N2 O6 -","- C48 H72 As8 Cl16 Cu4 N8 O24 -","4","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0428","0.0342","","","0.0842","0.0897","","","","","","1.13","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020743","7.5525","0.0004","7.2578","0.0003","38.5872","0.0017","90","","90","","90","","2115.14","0.17","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","catena-[bis(4-arsonoanilinium) tetrachlorocadmate]","Poly[bis(4-arsonoanilinium) [tetra-μ-chlorido-cadmate(II)]]","","- C12 H18 As2 Cd Cl4 N2 O6 -","- C12 H18 As2 Cd Cl4 N2 O6 -","- C48 H72 As8 Cd4 Cl16 N8 O24 -","4","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0397","0.0319","","","0.0664","0.0701","","","","","","1.109","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020745","4.7874","0.0004","8.2086","0.0006","27.2894","0.0018","90","","92.803","0.004","90","","1071.13","0.14","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium chloride","","- C9 H10 Cl F4 N O -","- C9 H10 Cl F4 N O -","- C36 H40 Cl4 F16 N4 O4 -","4","1","KU3194","Lu, Norman; Wei, Rong-Jyun; Lin, Kwan-Yu; Alagesan, Mani; Wen, Yuh-Sheng; Liu, Ling-Kang","Weak hydrogen bonding and fluorous interactions in the chloride and bromide salts of 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridinium","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004016","","","0.71073","MoKα","","0.0401","0.0308","","","0.0674","0.0713","","","","","","1.051","","","","has coordinates,has Fobs","194405","2020-10-21","18:00:00",""
"2020746","4.7977","0.0003","8.3123","0.0006","27.739","0.002","90","","92.646","0.003","90","","1105.05","0.13","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium bromide","","- C9 H10 Br F4 N O -","- C9 H10 Br F4 N O -","- C36 H40 Br4 F16 N4 O4 -","4","1","","Lu, Norman; Wei, Rong-Jyun; Lin, Kwan-Yu; Alagesan, Mani; Wen, Yuh-Sheng; Liu, Ling-Kang","Weak hydrogen bonding and fluorous interactions in the chloride and bromide salts of 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridinium","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004016","","","0.71073","MoKα","","0.0269","0.0209","","","0.0449","0.0469","","","","","","1.034","","","","has coordinates,has Fobs","194405","2020-10-21","18:00:00",""
"2020747","4.717","0.0007","4.717","0.0007","17.077","0.003","90","","90","","120","","329.06","0.09","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Nonalithium tetraaluminium pentastannide","","- Al4 Li9 Sn5 -","- Al4 Li9 Sn5 -","- Al4 Li9 Sn5 -","1","0.0833333","","Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Ehrenberg, Helmut","Li~9~Al~4~Sn~5~ as a new ordered superstructure of the Li~13~Sn~5~ type","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700420X","","","0.71073","MoKα","","0.0243","0.0205","","","0.0644","0.0663","","","","","","1.103","","","","has coordinates,has Fobs","194406","2020-10-21","18:00:00",""
"2020748","15.008","0.003","11.798","0.003","9.0384","0.0019","90","","106.756","0.002","90","","1532.4","0.6","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tricarbonylchlorido[2-(pyridin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>']manganese(I)","","- C15 H8 Cl Mn N2 O3 S -","- C15 H8 Cl Mn N2 O3 S -","- C60 H32 Cl4 Mn4 N8 O12 S4 -","4","1","SK3653","Stenger-Smith, Jenny; Chakraborty, Indranil; Carrington, Samantha; Mascharak, Pradip","Synthesis and structures of photoactive manganese‒carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004429","","","0.71073","MoKα","","0.1304","0.0652","","","0.1625","0.1962","","","","","","1.039","","","","has coordinates,has Fobs","194472","2020-10-21","18:00:00",""
"2020749","9.1239","0.0005","16.4292","0.0009","12.2101","0.0006","90","","96.737","0.001","90","","1817.64","0.17","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Tricarbonylchlorido[2-(quinolin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>']manganese(I)","","- C19 H10 Cl Mn N2 O3 S -","- C19 H10 Cl Mn N2 O3 S -","- C76 H40 Cl4 Mn4 N8 O12 S4 -","4","1","","Stenger-Smith, Jenny; Chakraborty, Indranil; Carrington, Samantha; Mascharak, Pradip","Synthesis and structures of photoactive manganese‒carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole","Acta Crystallographica Section C","2017","73","4","","","10.1107/S2053229617004429","","","0.71073","MoKα","","0.0597","0.0383","","","0.0829","0.0932","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","194472","2020-10-21","18:00:00",""
"2020757","8.2864","0.0008","17.0679","0.0016","13.9733","0.0014","90","","90.735","0.004","90","","1976.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)cobalt(II) chloride dihydrate","","- C14 H36 Cl2 Co N4 O2 -","- C14 H36 Cl2 Co N4 O2 -","- C56 H144 Cl8 Co4 N16 O8 -","4","1","YP3138","Van Heuvelen, Katherine M.; Lee, Isabell; Arriola, Katherine; Griffin, Rilke; Ye, Christopher; Takase, Michael K.","Crystal structure and spectroscopic characterization of a cobalt(II) tetraazamacrocycle: completing a series of first-row transition-metal complexes","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010397","","","0.71073","MoKα","","0.0498","0.0321","","","0.061","0.0655","","","","","","1.037","","","","has coordinates,has Fobs","198885","2020-10-21","18:00:00",""
"2020758","6.5592","0.0001","9.1328","0.0002","13.7163","0.0003","90","","93.9","0.002","90","","819.76","0.03","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[aqua-μ~3~-bis[(<i>R</i>)-mandelato]borato-lithium(I)] monohydrate]","","- C16 H14 B Li O7 -","- C16 H14 B Li O7 -","- C32 H28 B2 Li2 O14 -","2","1","FM3050","Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009718","","","1.54178","CuKα","","0.0311","0.0304","","","0.0812","0.0819","","","","","","1.063","","","","has coordinates,has Fobs","198914","2020-10-21","18:00:00",""
"2020759","7.49015","0.00016","8.24219","0.00013","13.275","0.0003","90","","92.8753","0.0019","90","","818.5","0.03","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Ammonium bis[(<i>R</i>)-mandelato]borate","","- C16 H16 B N O6 -","- C16 H16 B N O6 -","- C32 H32 B2 N2 O12 -","2","1","FM3050","Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009718","","","1.54178","CuKα","","0.0277","0.0262","","","0.0644","0.0654","","","","","","1.041","","","","has coordinates,has Fobs","198914","2020-10-21","18:00:00",""
"2020760","9.0372","0.0006","15.5934","0.0006","44.5357","0.0011","90","","90","","90","","6276","0.5","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetra-<i>n</i>-butylammonium bis[(<i>R</i>)-mandelato]borate","","- C32 H48 B N O6 -","- C32 H48 B N O6 -","- C256 H384 B8 N8 O48 -","8","2","FM3050","Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009718","","","1.54178","CuKα","","0.0385","0.0318","","","0.066","0.0676","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","198914","2020-10-21","18:00:00",""
"2020761","9.0673","0.0012","10.1144","0.0014","11.7417","0.0014","69.013","0.005","77.791","0.005","81.901","0.005","980.2","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bromidobis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) bromide","","- C16 H20 Br2 Cu N4 O2 -","- C16 H20 Br2 Cu N4 O2 -","- C32 H40 Br4 Cu2 N8 O4 -","2","1","KU3201","Smolentsev, Anton I.","Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009949","","","0.71073","MoKα","","0.0462","0.034","","","0.0864","0.0908","","","","","","1.067","","","","has coordinates,has Fobs","199064","2020-10-21","18:00:00",""
"2020762","13.3089","0.0002","8.4494","0.0001","18.535","0.0003","90","","90","","90","","2084.3","0.05","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aquabis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) dinitrate","","- C16 H22 Cu N6 O9 -","- C16 H22 Cu N6 O9 -","- C64 H88 Cu4 N24 O36 -","4","0.5","KU3201","Smolentsev, Anton I.","Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009949","","","0.71073","MoKα","","0.0416","0.0356","","","0.109","0.1128","","","","","","1.109","","","","has coordinates,has Fobs","199064","2020-10-21","18:00:00",""
"2020763","18.7332","0.0004","8.2315","0.0002","15.7876","0.0003","90","","109.1","0.001","90","","2300.46","0.09","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) bis(perchlorate)","","- C16 H22 Cl2 Cu N4 O11 -","- C16 H22 Cl2 Cu N4 O10.994 -","- C64 H88 Cl8 Cu4 N16 O43.976 -","4","0.5","KU3201","Smolentsev, Anton I.","Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009949","","","0.71073","MoKα","","0.0447","0.0405","","","0.1224","0.1253","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","199064","2020-10-21","18:00:00",""
"2020764","19.951","0.003","11.7885","0.0018","20.891","0.004","90","","105.625","0.003","90","","4731.8","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","L-9 (H2SO4)","Tris(4-carboxypyridinium) hydrogensulfate sulfate monohydrate","","- C18 H21 N3 O15 S2 -","- C18 H21 N3 O15 S2 -","- C144 H168 N24 O120 S16 -","8","1","YF3121","Truong, Khai-Nghi; Lothmann, Niklas; Englert, Ulli","A whole zoo of hydrogen bonds in one crystal structure: tris(isonicotinium) hydrogensulfate sulfate monohydrate","Acta Crystallographica Section C","2017","73","7","525","530","10.1107/S2053229617008269","","","0.71073","MoKα","","0.0622","0.0464","","","0.1071","0.1162","","","","","","1.033","","","","has coordinates,has Fobs","199065","2020-10-21","18:00:00",""
"2020765","7.1403","0.0004","8.6745","0.0006","11.573","0.0007","93.721","0.005","93.714","0.004","104.23","0.005","690.94","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2,6-Diamino-4-chloropyrimidinium 2-carboxy-3-nitrobenzoate","","- C12 H10 Cl N5 O6 -","- C12 H10 Cl N5 O6 -","- C24 H20 Cl2 N10 O12 -","2","1","KU3199","Mohana, Marimuthu; Thomas Muthiah, Packianathan; Butcher, Ray J.","Supramolecular interactions in carboxylate and sulfonate salts of 2,6-diamino-4-chloropyrimidinium","Acta Crystallographica Section C","2017","73","7","536","540","10.1107/S2053229617008798","","","0.71073","MoKα","","0.0746","0.0459","","","0.1062","0.1275","","","","","","1.082","","","","has coordinates,has Fobs","199066","2020-10-21","18:00:00",""
"2020766","6.54","0.0003","7.2557","0.0004","15.7696","0.0009","81.617","0.005","89.511","0.004","74.154","0.005","711.79","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2,6-Diamino-4-chloropyrimidinium <i>p</i>-toluenesulfonate","","- C11 H15 Cl N4 O4 S -","- C11 H15 Cl N4 O4 S -","- C22 H30 Cl2 N8 O8 S2 -","2","1","KU3199","Mohana, Marimuthu; Thomas Muthiah, Packianathan; Butcher, Ray J.","Supramolecular interactions in carboxylate and sulfonate salts of 2,6-diamino-4-chloropyrimidinium","Acta Crystallographica Section C","2017","73","7","536","540","10.1107/S2053229617008798","","","1.54184","CuKα","","0.0368","0.036","","","0.0995","0.1003","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","199066","2020-10-21","18:00:00",""
"2020767","13.6345","0.0015","6.9015","0.0007","12.6905","0.0014","90","","105.429","0.004","90","","1151.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Fluorouracil‒4-methylbenzoic acid (1/1)","","- C12 H11 F N2 O4 -","- C12 H11 F N2 O4 -","- C48 H44 F4 N8 O16 -","4","1","OV3081","Mohana, Marimuthu; Muthiah, Packianathan Thomas; McMillen, Colin D.","Supramolecular hydrogen-bonding patterns in 1:1 cocrystals of 5-fluorouracil with 4-methylbenzoic acid and 3-nitrobenzoic acid","Acta Crystallographica Section C","2017","73","3","259","263","10.1107/S2053229617001486","","","0.71073","MoKα","","0.078","0.0476","","","0.1078","0.1204","","","","","","1.047","","","","has coordinates,has Fobs","199067","2020-10-21","18:00:00",""
"2020768","5.9011","0.0012","9.795","0.002","11.674","0.002","110.76","0.03","91.84","0.03","99.59","0.03","619.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-Fluorouracil‒3-nitrobenzoic acid (1/1)","","- C11 H8 F N3 O6 -","- C11 H8 F N3 O6 -","- C22 H16 F2 N6 O12 -","2","1","","Mohana, Marimuthu; Muthiah, Packianathan Thomas; McMillen, Colin D.","Supramolecular hydrogen-bonding patterns in 1:1 cocrystals of 5-fluorouracil with 4-methylbenzoic acid and 3-nitrobenzoic acid","Acta Crystallographica Section C","2017","73","3","259","263","10.1107/S2053229617001486","","","0.71073","MoKα","","0.0756","0.0658","","","0.1813","0.2045","","","","","","1.038","","","","has coordinates,has Fobs","199067","2020-10-21","18:00:00",""
"2020769","8.386","0.0009","9.1422","0.0009","12.9405","0.0014","69.526","0.004","87.16","0.004","76.788","0.004","904.33","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')manganese(II) diacetate","","- C10 H30 Mn N6 O4 -","- C10 H30 Mn N6 O4 -","- C20 H60 Mn2 N12 O8 -","2","1","YP3135","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0269","0.0231","","","0.057","0.0596","","","","","","1.051","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020770","8.3426","0.0009","9.1332","0.001","12.8165","0.0014","70.423","0.005","86.074","0.004","75.628","0.005","891.19","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')iron(II) diacetate","","- C10 H30 Fe N6 O4 -","- C10 H30 Fe N6 O4 -","- C20 H60 Fe2 N12 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","1.54178","CuKα","","0.0365","0.0315","","","0.0767","0.0798","","","","","","1.037","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020771","8.3029","0.0008","9.1295","0.001","12.7175","0.0013","71.021","0.004","85.776","0.004","75.146","0.004","881.08","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) diacetate","","- C10 H30 Co N6 O4 -","- C10 H30 Co N6 O4 -","- C20 H60 Co2 N12 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0284","0.0226","","","0.0531","0.0559","","","","","","1.08","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020772","8.2974","0.0011","9.0619","0.0011","12.5998","0.0017","71.96","0.004","85.204","0.005","74.321","0.004","867.3","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) diacetate","","- C10 H30 N6 Ni O4 -","- C10 H30 N6 Ni O4 -","- C20 H60 N12 Ni2 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0214","0.0194","","","0.0478","0.0491","","","","","","1.074","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020773","8.2953","0.0008","8.9144","0.0008","12.7148","0.0012","75.244","0.004","85.082","0.004","71.226","0.004","860.84","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) diacetate","","- C10 H30 Cu N6 O4 -","- C10 H30 Cu N6 O4 -","- C20 H60 Cu2 N12 O8 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0296","0.0245","","","0.0626","0.0653","","","","","","1.029","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020774","8.3223","0.0005","9.1059","0.0005","12.7492","0.0007","70.855","0.002","85.8","0.002","75.434","0.002","883.34","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')zinc(II) diacetate","","- C10 H30 N6 O4 Zn -","- C10 H30 N6 O4 Zn -","- C20 H60 N12 O8 Zn2 -","2","1","","Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.","The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)","Acta Crystallographica Section C","2017","73","6","442","446","10.1107/S2053229617006738","","","0.71073","MoKα","","0.0217","0.0195","","","0.0502","0.0514","","","","","","1.084","","","","has coordinates,has Fobs","199068","2020-10-21","18:00:00",""
"2020775","9.2595","0.0004","10.2711","0.0003","16.0049","0.0005","96.056","0.003","92.679","0.003","115.714","0.004","1356.47","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(dimethylformamide-κ<i>O</i>)magnesium(II)]bis[μ-<i>N</i>-(3-carboxyphenyl)-<i>N</i>'-(3-carboxylatophenyl)naphthalene-1,8:4,5-tetracarboximide-κ^2^<i>O</i>:<i>O</i>']]","","- C62 H40 Mg N6 O18 -","- C62 H40 Mg N6 O18 -","- C62 H40 Mg N6 O18 -","1","0.5","YF3120","Liu, Jian-Jun; Liu, Teng; Huang, Chang-Cang","Synthesis and characterization of a photochromic magnesium(II) coordination polymer based on a naphthalene diimide ligand","Acta Crystallographica Section C","2017","73","6","437","441","10.1107/S2053229617006544","","","0.71073","MoKα","","0.0747","0.0495","","","0.1219","0.1325","","","","","","1.045","","","","has coordinates,has Fobs","199069","2020-10-21","18:00:00",""
"2020776","11.0638","0.0002","14.0258","0.0004","20.8917","0.0006","90","","101.59","0.001","90","","3175.84","0.14","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-diphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')bis({2-methoxy-<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]aniline-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}cobalt(II)) bis(perchlorate)","","- C62 H58 Cl2 Co2 N6 O18 P2 -","- C62 H58 Cl2 Co2 N6 O18 P2 -","- C124 H116 Cl4 Co4 N12 O36 P4 -","2","0.5","KY3116","Anjana, S. S.; Varghese, Babu; Prasad, Edamana","Dinuclear cobalt(II) complexes with double phosphate ester bridges and tetradentate ligands having anisole or quinoline appendages","Acta Crystallographica Section C","2017","73","6","492","497","10.1107/S2053229617007355","","","0.71073","MoKα","","0.0631","0.0397","","","0.0938","0.1037","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","199070","2020-10-21","18:00:00",""
"2020777","13.0021","0.0002","12.8075","0.0003","19.8373","0.0004","90","","93.008","0.001","90","","3298.84","0.11","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(μ-diphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')bis({<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]quinolin-8-amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}cobalt(II)) bis(perchlorate)","","- C66 H56 Cl2 Co2 N8 O16 P2 -","- C66 H56 Cl2 Co2 N8 O16 P2 -","- C132 H112 Cl4 Co4 N16 O32 P4 -","2","0.5","KY3116","Anjana, S. S.; Varghese, Babu; Prasad, Edamana","Dinuclear cobalt(II) complexes with double phosphate ester bridges and tetradentate ligands having anisole or quinoline appendages","Acta Crystallographica Section C","2017","73","6","492","497","10.1107/S2053229617007355","","","0.71073","MoKα","","0.0526","0.0414","","","0.1027","0.1092","","","","","","1.088","","","","has coordinates,has Fobs","199070","2020-10-21","18:00:00",""
"2020778","33.1506","0.0012","33.1506","0.0012","16.6829","0.0014","90","","90","","90","","18333.9","1.8","293","2","293.15","","","","","","","","","5","I 41/a","-I 4ad","88","","Poly[triaquadi-μ~3~-hydroxido-hexakis(μ~4~-2-methylbiphenyl-4,4'-dicarboxylato)calcium(II)hexazinc(II)]","","- C90 H68 Ca O29 Zn6 -","- C90 H68 Ca O29 Zn6 -","- C720 H544 Ca8 O232 Zn48 -","8","","FN3233","Guo, Pei-Ying; Ma, De-Yun; Guo, Hai-Fu","A twofold interpenetrating three-dimensional heterometallic metal‒organic framework with pcu topology based on 2-methylbiphenyl-4,4'-dicarboxylic acid","Acta Crystallographica Section C","2017","73","6","470","475","10.1107/S2053229617006829","","","0.71073","MoKα","","0.1093","0.0564","","","0.1343","0.1589","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","199071","2020-10-21","18:00:00",""
"2020779","8.3665","0.0004","23.1277","0.0011","13.5984","0.0007","90","","98.221","0.001","90","","2604.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[silver(I)-(μ~2~-pyridine-2,3-dicarboxylato-κ^2^<i>N</i>:<i>O</i>^3^)-silver(I)-tris(μ~2~-5-methyl-1,3,4-thiodiazol-2-amine-κ^2^<i>N</i>:<i>N</i>')] monohydrate ethanol monosolvate]","","- C18 H26 Ag2 N10 O6 S3 -","- C16 H18 Ag2 N10 O4 S3 -","- C64 H72 Ag8 N40 O16 S12 -","4","1","LG3205","Fu, Wei-Wei; Li, Juan; Liu, Shu-Ting; Zhao, Dan; Zhou, Xue; Tong, Yang","A one-dimensional silver(I) coordination polymer based on 5-methyl-1,3,4-thiadiazol-2-amine and pyridine-2,3-dicarboxylate","Acta Crystallographica Section C","2017","73","6","498","502","10.1107/S2053229617007653","","","0.71073","MoKα","","0.0304","0.0269","","","0.0627","0.0646","","","","","","1.093","","","","has coordinates,has Fobs","199072","2020-10-21","18:00:00",""
"2020780","12.9134","0.0017","21.035","0.003","9.1946","0.0012","90","","93.696","0.002","90","","2492.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2,3,4,5,6-pentafluorobenzoato-κ<i>O</i>)cadmium(II)]-μ-2,3,4,5,6-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>']","","- C24 H10 Cd F10 N2 O5 -","- C24 H10 Cd F10 N2 O5 -","- C96 H40 Cd4 F40 N8 O20 -","4","1","OV3088","Kong, Ya-Jie; Li, Peng; Han, Li-Juan; Fan, Lu-Tong; Li, Peng-Peng; Yin, Shuang","Two cadmium(II) fluorous coordination compounds tuned by different bipyridines","Acta Crystallographica Section C","2017","73","5","424","429","10.1107/S2053229617006003","","","0.71073","MoKα","","0.0438","0.0292","","","0.0695","0.0778","","","","","","1.024","","","","has coordinates,has Fobs","199073","2020-10-21","18:00:00",""
"2020781","21.402","0.005","11.711","0.002","10.955","0.002","90","","106.639","0.003","90","","2630.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabis(2,3,4,5,6-pentafluorobenzoato-κ<i>O</i>)cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>]","","- C24 H12 Cd F10 N2 O6 -","- C24 H12 Cd F10 N2 O6 -","- C96 H48 Cd4 F40 N8 O24 -","4","0.5","OV3088","Kong, Ya-Jie; Li, Peng; Han, Li-Juan; Fan, Lu-Tong; Li, Peng-Peng; Yin, Shuang","Two cadmium(II) fluorous coordination compounds tuned by different bipyridines","Acta Crystallographica Section C","2017","73","5","424","429","10.1107/S2053229617006003","","","0.71073","MoKα","","0.0305","0.0274","","","0.0747","0.0769","","","","","","1.006","","","","has coordinates,has Fobs","199073","2020-10-21","18:00:00",""
"2020782","15.7523","0.0008","7.1201","0.0003","15.954","0.0008","90","","112.709","0.004","90","","1650.65","0.15","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[[(<i>N</i>,<i>N</i>'-diethylethylenediamine-\ κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-succinato-\ κ^2^<i>O</i>^1^:<i>O</i>^4^] tetrahydrate]","","- C10 H28 Cu N2 O8 -","- C10 H28 Cu N2 O8 -","- C40 H112 Cu4 N8 O32 -","4","1","WQ3133","Şen, Fatih; Kansiz, Sevgi; Uçar, İbrahim","A one-dimensional copper(II) coordination polymer incorporating succinate and <i>N</i>,<i>N</i>-diethylethylenediamine ligands: crystallographic analysis, vibrational and surface features, and DFT analysis","Acta Crystallographica Section C","2017","73","7","517","524","10.1107/S2053229617008452","","","0.71073","MoKα","","0.0418","0.0295","","","0.0715","0.0749","","","","","","0.997","","","","has coordinates,has Fobs","199074","2020-10-21","18:00:00",""
"2020783","5.3048","0.0005","31.891","0.003","10.508","0.001","90","","98.184","0.003","90","","1759.6","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","Naproxen‒picolinamide (1/1)","(<i>S</i>)-2-(6-Methoxynaphthalen-2-yl)propanoic acid‒\ pyridine-2-carboxamide (1/1)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","2","DF3001","Kerr, Hannah E.; Softley, Lorna K.; Suresh, Kuthuru; Hodgkinson, Paul; Evans, Ivana Radosavljevic","Structure and physicochemical characterization of a naproxen‒picolinamide cocrystal","Acta Crystallographica Section C","2017","73","3","168","175","10.1107/S2053229616011980","","","0.71073","MoKα","","0.1145","0.0575","","0.1025","0.082","0.082","","","","","","0.9443","","","","has coordinates,has Fobs","199075","2020-10-21","18:00:00",""
"2020784","7.1707","0.0002","22.8006","0.0006","13.8237","0.0004","90","","97.047","0.003","90","","2243.05","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dithianon‒pyrimethanil (1/1)","5,10-Dioxo-5<i>H</i>,10<i>H</i>-naphtho[2,3-<i>b</i>][1,4]dithiine-2,3-dicarbonitrile‒4,6-dimethyl-<i>N</i>-phenylpyrimidin-2-amine (1/1)","","- C26 H17 N5 O2 S2 -","- C26 H17 N5 O2 S2 -","- C104 H68 N20 O8 S8 -","4","1","DF3006","Pöppler, Ann-Christin; Corlett, Emily K.; Pearce, Harriet; Seymour, Mark P.; Reid, Matthew; Montgomery, Mark G.; Brown, Steven P.","Single-crystal X-ray diffraction and NMR crystallography of a 1:1 cocrystal of dithianon and pyrimethanil","Acta Crystallographica Section C","2017","73","3","149","156","10.1107/S2053229617000870","","","1.54184","CuKα","","0.0527","0.0449","","0.0935","0.0851","0.0935","","","","","","0.9756","","","","has coordinates,has Fobs","199076","2020-10-21","18:00:00",""
"2020785","19.513","0.003","19.513","0.003","17.613","0.004","90","","90","","90","","6706","2","294","2","294","2","","","","","","","","5","I 41/a","-I 4ad","88","Lamotriginium crotonate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium but-2-enoate","","- C13 H13 Cl2 N5 O2 -","- C13 H13 Cl2 N5 O2 -","- C208 H208 Cl32 N80 O32 -","16","","","Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo","Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization","Acta Crystallographica Section C","2017","73","7","563","568","10.1107/S2053229617009111","","","0.71073","MoKα","","0.1072","0.0566","","","0.1477","0.1848","","","","","","0.966","","","","has coordinates,has disorder,has Fobs","199077","2020-10-21","18:00:00",""
"2020786","7.9389","0.0004","12.2938","0.0009","12.3282","0.0008","61.781","0.007","79.379","0.005","72.313","0.005","1008.91","0.13","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Lamotriginium salicylate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 2-hydroxybenzoate ethanol monosolvate","","- C18 H19 Cl2 N5 O4 -","- C18 H19 Cl2 N5 O4 -","- C36 H38 Cl4 N10 O8 -","2","1","","Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo","Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization","Acta Crystallographica Section C","2017","73","7","563","568","10.1107/S2053229617009111","","","0.71073","MoKα","","0.089","0.0561","","","0.1363","0.1678","","","","","","1.049","","","","has coordinates,has Fobs","199077","2020-10-21","18:00:00",""
"2020787","10.5376","0.0006","21.5025","0.0014","19.9462","0.0019","90","","99.079","0.007","90","","4462.9","0.6","273","2","273","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[9,9-Dimethyl-4,5-bis(diphenylphosphanyl)-9<i>H</i>-xanthene-κ^2^<i>P</i>,<i>P</i>](2-methylquinolin-8-ol-κ^2^<i>N</i>,<i>O</i>)copper(I) hexafluorophosphate","","- C49 H41 Cu F6 N O2 P3 -","- C49 H41 Cu F6 N O2 P3 -","- C196 H164 Cu4 F24 N4 O8 P12 -","4","1","OV3091","Shou, Rong-Er; Song, Li; Chai, Wen-Xiang; Qin, Lai-Shun; Wang, Tian-Gen","A new phosphorescent heteroleptic cuprous complex with a neutral 2-methylquinolin-8-ol ligand: synthesis, structure characterization, properties and TD‒DFT calculations","Acta Crystallographica Section C","2017","73","6","486","491","10.1107/S2053229617007549","","","0.71073","MoKα","","0.1171","0.0643","","","0.1571","0.1983","","","","","","1.021","","","","has coordinates,has Fobs","199078","2020-10-21","18:00:00",""
"2020788","16.2592","0.0003","14.2078","0.0003","9.256","0.0002","90","","92.527","0.001","90","","2136.13","0.08","100","2","99.95","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{μ~3~-3-[(4-methoxy-2-oxidobenzylidene)amino]propanolato}bis{μ~2~-3-[(4-methoxy-2-oxidobenzylidene)amino]propanolato}tetracopper(II)","","- C44 H52 Cu4 N4 O12 -","- C44 H52 Cu4 N4 O12 -","- C88 H104 Cu8 N8 O24 -","2","0.5","LF3047","Gungor, Elif","A new stepped tetranuclear copper(II) complex: synthesis, crystal structure and photoluminescence properties","Acta Crystallographica Section C","2017","73","5","393","398","10.1107/S2053229617004946","","","0.71073","MoKα","","0.0864","0.051","","","0.112","0.1225","","","","","","1.206","","","","has coordinates,has disorder,has Fobs","199079","2020-10-21","18:00:00",""
"2020789","13.304","0.0011","5.1796","0.0004","19.6396","0.0018","90","","95.143","0.001","90","","1347.9","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(2-Phenylhydrazinylidene)acenaphthen-1(2<i>H</i>)-one","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","WQ3126","Su, Yan-Xiao; Zhang, Chao-Zhi; Song, Ming-Xia","Optical properties of (<i>Z</i>)-2-(2-phenylhydrazinylidene)acenaphthen-1(2<i>H</i>)-one: a potential electron donor in organic solar cells","Acta Crystallographica Section C","2017","73","6","458","463","10.1107/S205322961700691X","","","0.71073","MoKα","","0.1373","0.0571","","","0.082","0.0937","","","","","","1.071","","","","has coordinates,has Fobs","199080","2020-10-21","18:00:00",""
"2020790","14.095","0.003","14.095","0.003","14.095","0.003","90","","90","","90","","2800.2","1","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Triguanidinium hexafluoridovanadate(III)","","- C3 H18 F6 N9 V -","- C3 H18 F6 N9 V -","- C24 H144 F48 N72 V8 -","8","0.333333","YF3116","Black, Cameron; Lightfoot, Philip","Crystal structure of guanidinium hexafluoridovanadate(III), (CN~3~H~6~)~3~[VF~6~]: an unusual hybrid compound related to perovskite","Acta Crystallographica Section C","2017","73","3","244","246","10.1107/S2053229617001711","","","0.71075","MoKα","","0.0575","0.0455","","","0.1372","0.1607","","","","","","1.319","","","","has coordinates,has Fobs","199081","2020-10-21","18:00:00",""
"2020791","13.1813","0.0007","7.2661","0.0004","15.6283","0.0008","90","","96.933","0.003","90","","1485.88","0.14","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","2,2'-(Disulfanediylbis{5-[(1<i>E</i>)-(2-hydroxybenzylidene)amino]-1,3-thiazole-4,2-diyl})diphenol","2-[5-[(<i>E</i>)-(2-Hydroxybenzylidene)amino]-4-(2-{5-[(<i>E</i>)-(2-hydroxybenzylidene)amino]-2-(2-hydroxyphenyl)-1,3-thiazol-4-yl}disulfanyl)-1,3-thiazol-2-yl]phenol","","- C32 H22 N4 O4 S4 -","- C32 H22 N4 O4 S4 -","- C64 H44 N8 O8 S8 -","2","0.5","UK3134","Zarei, Seyed Amir; Piltan, Mohammad; Mashhun, Asmar; Rudbari, Hadi Amiri; Bruno, Giuseppe","2,2'-[(Disulfanediyl)bis{5-[(1<i>E</i>)-(2-hydroxybenzylidene)amino]-1,3-thiazole-4,2-diyl}]diphenol: synthesis, crystal structure and calculation of molecular hyperpolarizability","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617008257","","","0.71073","MoKα","","0.0641","0.0413","","","0.1116","0.1296","","","","","","1.041","","","","has coordinates,has Fobs","199082","2020-10-21","18:00:00",""
"2020792","7.0975","0.0004","7.9093","0.0004","16.9976","0.001","86.16","0.002","83.141","0.002","66.564","0.002","869","0.08","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","3-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium saccharinate","3-[(2,2,3,3-Tetrafluoropropoxy)methyl]pyridinium 1,1-dioxo-1λ^6^,2-benzothiazol-3-olate","","- C16 H14 F4 N2 O4 S -","- C16 H14 F4 N2 O4 S -","- C32 H28 F8 N4 O8 S2 -","2","1","CU3113","Lu, Norman; Chiang, Hsing-Fang; Wei, Rong-Jyun; Wen, Yuh-Sheng; Liu, Ling-Kang","Molecular structures of 3-[(2,2,3,3-tetrafluoropropoxy)methyl]- and 3-[(2,2,3,3,3-pentafluoropropoxy)methyl]pyridinium saccharinates","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009512","","","0.71073","MoKα","","0.0352","0.0303","","","0.0772","0.0807","","","","","","1.021","","","","has coordinates,has Fobs","199083","2020-10-21","18:00:00",""
"2020793","21.6747","0.0006","21.6747","0.0006","7.285","0.0003","90","","90","","90","","3422.44","0.19","100","0.2","100","0.2","","","","","","","","6","I -4","I -4","82","3-[(2,2,3,3,3-Pentafluoropropoxy)methyl]pyridinium saccharinate","3-[(2,2,3,3,3-Pentafluoropropoxy)methyl]pyridinium 1,1-dioxo-1λ^6^,2-benzothiazol-3-olate","","- C16 H13 F5 N2 O4 S -","- C16 H13 F5 N2 O4 S -","- C128 H104 F40 N16 O32 S8 -","8","1","","Lu, Norman; Chiang, Hsing-Fang; Wei, Rong-Jyun; Wen, Yuh-Sheng; Liu, Ling-Kang","Molecular structures of 3-[(2,2,3,3-tetrafluoropropoxy)methyl]- and 3-[(2,2,3,3,3-pentafluoropropoxy)methyl]pyridinium saccharinates","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009512","","","0.71073","MoKα","","0.0255","0.0239","","","0.0577","0.0633","","","","","","1.088","","","","has coordinates,has Fobs","199083","2020-10-21","18:00:00",""
"2020794","5.0591","0.0003","16.7533","0.0009","23.5587","0.0013","90","","90","","90","","1996.76","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Di-<i>L</i>-phenylalanine tetrahydrofuran monosolvate","2-(2-Azaniumyl-3-phenylpropanamido)-3-phenylpropanoate tetrahydrofuran monosolvate","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","KU3197","Georgilis, Evangelos; Gessmann, Renate; Mitraki, Anna; Petratos, Kyriacos","Diphenylalanine in tetrahydrofuran: a highly potent candidate for the development of novel nanomaterials","Acta Crystallographica Section C","2017","73","6","447","450","10.1107/S2053229617006830","","","1.54178","CuKα","","0.0435","0.0404","","","0.1101","0.1323","","","","","","1.089","","","","has coordinates,has Fobs","199084","2020-10-21","18:00:00",""
"2020795","5.0827","0.0003","16.7903","0.0009","24.0532","0.0012","90","","90","","90","","2052.7","0.19","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Di-<i>L</i>-phenylalanine tetrahydrofuran monosolvate","2-(2-Azaniumyl-3-phenylpropanamido)-3-phenylpropanoate tetrahydrofuran monosolvate","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","","Georgilis, Evangelos; Gessmann, Renate; Mitraki, Anna; Petratos, Kyriacos","Diphenylalanine in tetrahydrofuran: a highly potent candidate for the development of novel nanomaterials","Acta Crystallographica Section C","2017","73","6","447","450","10.1107/S2053229617006830","","","1.54178","CuKα","","0.0718","0.0665","","","0.1837","0.189","","","","","","1.052","","","","has coordinates,has Fobs","199084","2020-10-21","18:00:00",""
"2020796","8.1493","0.0004","8.5209","0.0005","34.4887","0.0014","90","","96.648","0.004","90","","2378.8","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-({(<i>E</i>)-[(<i>E</i>)-1-(Biphenyl-4-yl)ethylidene]hydrazinylidene}methyl)-1<i>H</i>-indole acetonitrile disolvate","","- C27 H25 N5 -","- C27 H25 N5 -","- C108 H100 N20 -","4","1","FN3235","Bu, Fan-Zhi; Tan, Xue-Jie; Xing, Dian-Xiang; Wang, Chao","Design, synthesis, crystal structure and <i>in vitro</i> cytotoxic properties of a novel Schiff base derived from indole and biphenyl","Acta Crystallographica Section C","2017","73","7","546","555","10.1107/S2053229617009044","","","0.71073","MoKα","","0.1066","0.0528","","","0.1271","0.1548","","","","","","1.021","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"2020797","9.3324","0.0005","10.754","0.0007","12.2892","0.0007","90","","111.349","0.002","90","","1148.72","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis[(η^8^-cyclooctatetraene)(tetrahydrofuran-κ<i>O</i>)scandium(III)]","","- C24 H32 Cl2 O2 Sc2 -","- C24 H32 Cl2 O2 Sc2 -","- C48 H64 Cl4 O4 Sc4 -","2","0.5","YP3133","Zhou, Zheng; Greenough, Joshua; Wei, Zheng; Petrukhina, Marina A.","The dinuclear scandium(III) cyclooctatetraenyl chloride complex di-μ-chlorido-bis[(η^8^-cyclooctatetraene)(tetrahydrofuran-κ<i>O</i>)scandium(III)]","Acta Crystallographica Section C","2017","73","5","420","423","10.1107/S2053229617005678","","","0.71073","MoKα","","0.0798","0.047","","","0.0733","0.0808","","","","","","1.041","","","","has coordinates,has Fobs","199086","2020-10-21","18:00:00",""
"2020798","8.4269","0.0006","12.4905","0.0008","15.1415","0.001","66.53","0.001","76.005","0.001","85.473","0.001","1418.22","0.17","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3a-acetyl-3-(4-bromophenyl)-4-oxo-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-furo[3,4-<i>c</i>]chromene-1-carboxylate benzene monosolvate","","- C33 H27 Br O6 -","- C33 H27 Br O6 -","- C66 H54 Br2 O12 -","2","1","LG3203","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three isostructural solvates of a tetrahydrofurochromenone derivative","Acta Crystallographica Section C","2017","73","5","407","413","10.1107/S2053229617005940","","","0.71073","MoKα","","0.0437","0.0337","","","0.0896","0.0956","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","199089","2020-10-21","18:00:00",""
"2020799","8.3989","0.0005","12.5415","0.0007","15.2195","0.0008","67.408","0.001","76.135","0.001","85.458","0.001","1436.85","0.14","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3a-acetyl-3-(4-bromophenyl)-4-oxo-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-furo[3,4-<i>c</i>]chromene-1-carboxylate toluene monosolvate","","- C34 H29 Br O6 -","- C34 H29 Br O6 -","- C68 H58 Br2 O12 -","2","1","LG3203","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three isostructural solvates of a tetrahydrofurochromenone derivative","Acta Crystallographica Section C","2017","73","5","407","413","10.1107/S2053229617005940","","","0.71073","MoKα","","0.0452","0.0373","","","0.1034","0.1096","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","199089","2020-10-21","18:00:00",""
"2020800","8.2587","0.0006","12.7841","0.0009","15.6238","0.0011","66.446","0.001","76.634","0.001","86.03","0.001","1470.67","0.18","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3a-acetyl-3-(4-bromophenyl)-4-oxo-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-furo[3,4-<i>c</i>]chromene-1-carboxylate xylene monosolvate","","- C35 H31 Br O6 -","- C35 H31 Br O6 -","- C70 H62 Br2 O12 -","2","1","LG3203","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba","Three isostructural solvates of a tetrahydrofurochromenone derivative","Acta Crystallographica Section C","2017","73","5","407","413","10.1107/S2053229617005940","","","0.71073","MoKα","","0.0594","0.0417","","","0.1048","0.1129","","","","","","1.143","","","","has coordinates,has Fobs","199089","2020-10-21","18:00:00",""
"2020801","6.997","0.002","7.185","0.003","11.043","0.003","106.356","0.012","93.891","0.01","115.13","0.016","470.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquamanganese(II)]-μ-2,2'-oxydiacetato-[dioxidouranium(VI)]-μ-2,2'-oxydiacetato] dihydrate]","","- C8 H20 Mn O18 U -","- C8 H20 Mn O18 U -","- C8 H20 Mn O18 U -","1","0.5","FN3236","Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L.","Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands","Acta Crystallographica Section C Structural Chemistry","2017","73","8","","","10.1107/S2053229617009263","","","0.71073","MoKα","","0.0114","0.0114","","","0.0282","0.0282","","","","","","1.133","","","","has coordinates,has Fobs","199090","2020-10-21","18:00:00",""
"2020802","6.997","0.002","7.185","0.003","11.043","0.003","106.356","0.012","93.891","0.01","115.13","0.016","470.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-2,2'-oxydiacetato-[dioxidouranium(VI)]-μ-2,2'-oxydiacetato] dihydrate]","","- C8 H20 Co O18 U -","- C8 H20 Co O18 U -","- C8 H20 Co O18 U -","1","0.5","","Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L.","Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands","Acta Crystallographica Section C Structural Chemistry","2017","73","8","","","10.1107/S2053229617009263","","","0.71073","MoKα","","0.017","0.017","","","0.0399","0.0399","","","","","","1.267","","","","has coordinates","199090","2020-10-21","18:00:00",""
"2020803","9.1605","0.0003","13.8069","0.0005","16.8625","0.0007","90","","90","","90","","2132.74","0.14","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>,7<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>S</i>)-6-Acetoxy-4,9,10-trihydroxy-2,2,5a,9-tetramethyloctahydro-2<i>H</i>-3,9a-methanobenzo[<i>b</i>]oxepin-5-yl furan-3-carboxylate","","- C22 H30 O9 -","- C22 H30 O9 -","- C88 H120 O36 -","4","1","FN3234","Paz, Cristian; von Dossow, Daniela; Tiznado, Victor; Suarez, Sebastián; Cukiernik, Fabio D.; Baggio, Ricardo","A dihydro-β-agarofuran sesquiterpene from <i>Maytenus boaria</i>","Acta Crystallographica Section C","2017","73","6","451","457","10.1107/S2053229617006817","","","1.54178","CuKα","","0.0638","0.0605","","","0.1572","0.1648","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","199091","2020-10-21","18:00:00",""
"2020804","12.671","0.002","6.61","0.001","10.2706","0.0002","90","","106.64","0.01","90","","824.19","0.19","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Disodium magnesium bis(selenate) decahydrate","","- H20 Mg Na2 O18 Se2 -","- H20 Mg Na2 O18 Se2 -","- H40 Mg2 Na4 O36 Se4 -","2","0.5","KU3198","Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo","Crystal structures of sodium magnesium selenate decahydrate, Na~2~Mg(SeO~4~)~2~·10H~2~O, a new selenate salt, and sodium magnesium selenate dihydrate, Na~2~Mg(SeO~4~)~2~·2H~2~O","Acta Crystallographica Section C","2017","73","7","582","587","10.1107/S2053229617009330","","","0.71073","MoKα","","0.0263","0.0199","","","0.0434","0.0464","","","","","","1.011","","","","has coordinates,has Fobs","199092","2020-10-21","18:00:00",""
"2020805","5.556","0.004","5.923","0.004","7.224","0.005","108.36","0.06","99.07","0.05","106.63","0.06","208","0.3","200","2","200","","","","","","","","","5","P -1","-P 1","2","","Disodium magnesium bis(selenate) dihydrate","","- H4 Mg Na2 O10 Se2 -","- H4 Mg Na2 O10 Se2 -","- H4 Mg Na2 O10 Se2 -","1","0.5","KU3198","Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo","Crystal structures of sodium magnesium selenate decahydrate, Na~2~Mg(SeO~4~)~2~·10H~2~O, a new selenate salt, and sodium magnesium selenate dihydrate, Na~2~Mg(SeO~4~)~2~·2H~2~O","Acta Crystallographica Section C","2017","73","7","582","587","10.1107/S2053229617009330","","","0.71073","MoKα","","0.039","0.0321","","","0.0806","0.0844","","","","","","1.269","","","","has coordinates,has Fobs","199092","2020-10-21","18:00:00",""
"2020806","9.9801","0.0004","18.854","0.0008","26.1414","0.0011","90","","90","","90","","4918.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>rac</i>-<i>N</i>-[(1<i>S</i>,2<i>R</i>,3<i>S</i>)-2-Methyl-3-(5-methylfuran-2-yl)-1-phenyl-3-(pivalamido)propyl]benzamide","","- C27 H32 N2 O3 -","- C27 H32 N2 O3 -","- C216 H256 N16 O24 -","8","2","SK3660","Kramer, Philipp; Bolte, Michael","Synthesis and crystal structures of two structurally related kryptoracemates","Acta Crystallographica Section C","2017","73","7","575","581","10.1107/S2053229617009408","","","0.71073","MoKα","","0.0813","0.0578","","","0.1254","0.1345","","","","","","0.984","","","","has coordinates,has Fobs","199093","2020-10-21","18:00:00",""
"2020807","10.1501","0.0011","14.8556","0.0015","17.662","0.002","109.248","0.008","97.929","0.009","91.214","0.008","2483.9","0.5","173","2","173","2","","","","","","","","5","P 1","P 1","1","","<i>rac</i>-<i>N</i>-[(1<i>S</i>,2<i>S</i>,3<i>R</i>)-2-Methyl-3-(5-methylfuran-2-yl)-1-phenyl-3-(propionamido)propyl]benzamide dichloromethane hemisolvate","","- C25.5 H29 Cl N2 O3 -","- C25.5 H29 Cl N2 O3 -","- C102 H116 Cl4 N8 O12 -","4","4","SK3660","Kramer, Philipp; Bolte, Michael","Synthesis and crystal structures of two structurally related kryptoracemates","Acta Crystallographica Section C","2017","73","7","575","581","10.1107/S2053229617009408","","","0.71073","MoKα","","0.1084","0.0789","","","0.1815","0.1952","","","","","","1.063","","","","has coordinates,has Fobs","199093","2020-10-21","18:00:00",""
"2020808","6.8884","0.0004","9.5036","0.0006","9.618","0.0006","73.608","0.002","87.634","0.002","69.969","0.002","566.43","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","5-Fluorouracil‒5-bromothiophene-2-carboxylic acid (1/1)","5-Fluoro-1,3-dihydropyrimidine-2,4-dione‒5-bromothiophene-2-carboxylic acid (1/1)","","- C9 H6 Br F N2 O4 S -","- C9 H6 Br F N2 O4 S -","- C18 H12 Br2 F2 N4 O8 S2 -","2","1","OV3090","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.","Supramolecular architectures in two 1:1 cocrystals of 5-fluorouracil with 5-bromothiophene-2-carboxylic acid and thiophene-2-carboxylic acid","Acta Crystallographica Section C","2017","73","6","481","485","10.1107/S2053229617007550","","","0.71073","MoKα","","0.021","0.0191","","","0.0497","0.0508","","","","","","1.061","","","","has coordinates,has Fobs","199094","2020-10-21","18:00:00",""
"2020809","6.8304","0.0003","7.0075","0.0004","12.3042","0.0006","93.348","0.002","103.091","0.001","115.566","0.001","509.22","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","5-Fluorouracil-thiophene-2-carboxylic acid (1/1)","5-Fluoro-1,3-dihydropyrimidine-2,4-dione‒thiophene-2-carboxylic acid (1/1)","","- C9 H7 F N2 O4 S -","- C9 H7 F N2 O4 S -","- C18 H14 F2 N4 O8 S2 -","2","1","OV3090","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.","Supramolecular architectures in two 1:1 cocrystals of 5-fluorouracil with 5-bromothiophene-2-carboxylic acid and thiophene-2-carboxylic acid","Acta Crystallographica Section C","2017","73","6","481","485","10.1107/S2053229617007550","","","0.71073","MoKα","","0.0305","0.0281","","","0.0736","0.0753","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","199094","2020-10-21","18:00:00",""
"2020810","10.242","0.001","11.807","0.0011","22.297","0.002","80.453","0.002","84.916","0.002","64.733","0.001","2404.1","0.4","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","(1α,2β,4β,5α,16α,17β,19β,20α)-1,5,16,20-Tetrachloro-31,31,32,32-tetramethoxy-11,26-bis[5-(thiophen-2-yl)thiophen-2-yl]-7,14,22,29-tetraazanonacyclo[18.10.1.1^5,16^.0^2,19^.0^4,17^.0^6,15^.0^8,13^.0^21,30^.0^23,28^]dotriaconta-6(15),7,9,11,13,21(30),22,24,26,28-decaene chloroform monosolvate","","- C49 H37 Cl7 N4 O4 S4 -","- C49 H37 Cl7 N4 O4 S4 -","- C98 H74 Cl14 N8 O8 S8 -","2","1","FN3230","Wickham, Laura M.; Tanski, Joseph M.; Nadeau, Jocelyn M.","Crystal structure of a fluorescent C-shaped molecule containing closely stacked bithiophene-substituted quinoxaline rings","Acta Crystallographica Section C","2017","73","3","276","279","10.1107/S2053229617001991","","","0.71073","MoKα","","0.0527","0.0399","","","0.0959","0.1038","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","199095","2020-10-21","18:00:00",""
"2020811","9.54931","0.00015","16.1513","0.0002","14.5715","0.0002","90","","91.2561","0.0013","90","","2246.88","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[[μ~2~-4-amino-3,5-bis(4,3'-bipyridyl-5'-yl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>:<i>N</i>']bis(methanol-κ<i>O</i>)cobalt(II)] bis(perchlorate)]","","- C46 H40 Cl2 Co N16 O10 -","- C46 H40 Cl2 Co N16 O10 -","- C92 H80 Cl4 Co2 N32 O20 -","2","0.5","SK3647","Wang, Xue-Ru; Ma, Jian-Ping; Dong, Yu-Bin","Syntheses and structures of two new coordination polymers generated from a 4-aminotriazole-bridged organic ligand and Co^II^ salts","Acta Crystallographica Section C","2017","73","3","247","253","10.1107/S2053229617001437","","","0.71073","MoKα","","0.0456","0.0396","","","0.0931","0.0977","","","","","","1.04","","","","has coordinates,has Fobs","199096","2020-10-21","18:00:00",""
"2020812","20.4923","0.0005","7.4278","0.0003","13.9819","0.0004","90","","94.891","0.002","90","","2120.47","0.12","100.6","0.1","100.6","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-4-amino-3,5-bis(4,3'-bipyridyl-5'-yl)-4<i>H</i>-1,2,4-triazole-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'']dichloridocobalt(II)]","","- C22 H16 Cl2 Co N8 -","- C22 H16 Cl2 Co N8 -","- C88 H64 Cl8 Co4 N32 -","4","1","SK3647","Wang, Xue-Ru; Ma, Jian-Ping; Dong, Yu-Bin","Syntheses and structures of two new coordination polymers generated from a 4-aminotriazole-bridged organic ligand and Co^II^ salts","Acta Crystallographica Section C","2017","73","3","247","253","10.1107/S2053229617001437","","","1.54184","CuKα","","0.0532","0.0393","","","0.0885","0.096","","","","","","1.037","","","","has coordinates,has Fobs","199096","2020-10-21","18:00:00",""
"2020813","8.7136","0.0002","6.3606","0.0002","13.3613","0.0003","90","","100.22","0.002","90","","728.78","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5<i>R</i>,8<i>S</i>)-8-<i>tert</i>-Butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decan-2,10-dione","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C28 H42 N2 O8 -","2","1","FN3237","Żesławska, Ewa; Jakubowska, Anna; Nitek, Wojciech","Conformational study of the 3,6-dihydro-2<i>H</i>-1,4-oxazin-2-one fragment in 8-<i>tert</i>-butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione stereoisomers","Acta Crystallographica Section C","2017","73","7","556","562","10.1107/S2053229617009068","","","1.54184","CuKα","","0.0325","0.0315","","","0.0856","0.087","","","","","","1.04","","","","has coordinates,has Fobs","199097","2020-10-21","18:00:00",""
"2020814","8.7007","0.0003","6.3466","0.0002","13.3458","0.0004","90","","100.243","0.003","90","","725.21","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5<i>S</i>,8<i>R</i>)-8-<i>tert</i>-Butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C28 H42 N2 O8 -","2","1","FN3237","Żesławska, Ewa; Jakubowska, Anna; Nitek, Wojciech","Conformational study of the 3,6-dihydro-2<i>H</i>-1,4-oxazin-2-one fragment in 8-<i>tert</i>-butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione stereoisomers","Acta Crystallographica Section C","2017","73","7","556","562","10.1107/S2053229617009068","","","0.71073","MoKα","","0.0881","0.0522","","","0.1094","0.1272","","","","","","1.074","","","","has coordinates,has Fobs","199097","2020-10-21","18:00:00",""
"2020815","29.0091","0.0018","7.7205","0.0003","29.9984","0.0018","90","","114.524","0.003","90","","6112.5","0.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(20<i>S</i>,24<i>R</i>)-3-Acetyl-20,24-epoxydammarane-3β,12β,25-triol hemihydrate","","- C32 H55 O5.5 -","- C32 H55 O5.5 -","- C256 H440 O44 -","8","2","LF3050","Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer","Acta Crystallographica Section C","2017","73","6","464","469","10.1107/S2053229617006507","","","1.54178","CuKα","","0.081","0.0622","","","0.1654","0.1854","","","","","","1.046","","","","has coordinates,has Fobs","199098","2020-10-21","18:00:00",""
"2020816","17.9895","0.0011","8.2912","0.0004","22.7981","0.0018","90","","108.343","0.002","90","","3227.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(20<i>S</i>,24<i>R</i>)-3-Acetyl-20,24-epoxydammarane-3β,12β,25-triol ethanol hemisolvate","","- C33 H57 O5.5 -","- C33 H57 O5.5 -","- C132 H228 O22 -","4","2","LF3050","Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer","Acta Crystallographica Section C","2017","73","6","464","469","10.1107/S2053229617006507","","","1.54178","CuKα","","0.0799","0.0538","","","0.1301","0.153","","","","","","1.027","","","","has coordinates,has Fobs","199098","2020-10-21","18:00:00",""
"2020817","10.91","0.002","8.037","0.0016","17.018","0.003","90","","92.5","0.03","90","","1490.8","0.5","153","2","153","","","","","","","","","3","P 1 21 1","P 2yb","4","","(20<i>S</i>,24<i>S</i>)-3-Acetyl-20,24-epoxydammarane-3,12,25-triol","","- C32 H54 O5 -","- C32 H54 O5 -","- C64 H108 O10 -","2","1","LF3050","Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo","Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer","Acta Crystallographica Section C","2017","73","6","464","469","10.1107/S2053229617006507","","","1.54187","CuKα","","0.0843","0.0675","","","0.1835","0.2075","","","","","","1.19","","","","has coordinates,has Fobs","199098","2020-10-21","18:00:00",""
"2020818","8.1694","0.0003","17.2478","0.0005","7.7689","0.0002","90","","97.521","0.001","90","","1085.25","0.06","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[aqua(μ~12~-benzene-1,2,4,5-tetracarboxylato)distrontium(II)]","","- C10 H4 O9 Sr2 -","- C10 H4 O9 Sr2 -","- C40 H16 O36 Sr8 -","4","0.5","","Trifa, Chahrazed; Mokhtari, Samia; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine","A novel three-dimensional Sr^II^ coordination polymer based on benzene-1,2,4,5-tetracarboxylate: hydrothermal synthesis, crystal structure and spectroscopic and thermal studies","Acta Crystallographica Section C","2017","73","5","369","375","10.1107/S2053229617003850","","","0.71073","MoKα","","0.0279","0.0205","","","0.0478","0.0503","","","","","","1.049","","","","has coordinates,has Fobs","199099","2020-10-21","18:00:00",""
"2020819","8.73056","0.00018","11.7379","0.0003","17.619","0.0007","90","","102.142","0.0008","90","","1765.17","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1,1'-dimethyl-4,4'-bipyridine-1,1'-diium) hexacyanidoferrate(II) octahydrate","","- C30 H44 Fe N10 O8 -","- C30 H44 Fe N10 O8 -","- C60 H88 Fe2 N20 O16 -","2","0.5","UK3133","Tanaka, Rikako; Matsushita, Nobuyuki","A charge-transfer salt composed of methyl viologen and hexacyanidoferrate(II)","Acta Crystallographica Section C","2017","73","6","476","480","10.1107/S2053229617007616","","","0.71075","MoKα","","0.0489","0.0421","","","0.1221","0.1303","","","","","","1.094","","","","has coordinates,has Fobs","199100","2020-10-21","18:00:00",""
"2020820","17.0243","0.0016","10.494","0.001","15.1374","0.0014","90","","109.09","0.003","90","","2555.6","0.4","120","2","120.02","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{2,5-Bis[(diisopropylphosphanyl)methyl]pyrrolido-κ^3^<i>P</i>,<i>N</i>,<i>P</i>'}carbonylchlorido(trimethylphosphane-κ<i>P</i>)iron(II)","","- C22 H43 Cl Fe N O P3 -","- C22 H43 Cl Fe N O P3 -","- C88 H172 Cl4 Fe4 N4 O4 P12 -","4","1","KY3121","Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.","Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors","Acta Crystallographica Section C","2017","73","7","569","574","10.1107/S2053229617009287","","","0.71073","MoKα","","0.0429","0.0316","","","0.0694","0.0759","","","","","","1.041","","","","has coordinates,has Fobs","199101","2020-10-21","18:00:00",""
"2020821","7.6074","0.0006","18.2229","0.0015","19.1442","0.0016","90","","92.3658","0.0013","90","","2651.7","0.4","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2,5-Bis[(diisopropylphosphanyl)methyl]pyrrolido-κ^3^<i>P</i>,<i>N</i>,<i>P</i>'}chlorido(pyridine-κ<i>N</i>)iron(II)","","- C23 H39 Cl Fe N2 P2 -","- C23 H39 Cl Fe N2 P2 -","- C92 H156 Cl4 Fe4 N8 P8 -","4","1","KY3121","Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.","Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors","Acta Crystallographica Section C","2017","73","7","569","574","10.1107/S2053229617009287","","","0.71073","MoKα","","0.0221","0.0208","","","0.0536","0.0544","","","","","","1.037","","","","has coordinates,has Fobs","199101","2020-10-21","18:00:00",""
"2020822","13.7917","0.0017","14.6349","0.0018","11.2225","0.0013","90","","90.729","0.002","90","","2265","0.5","120","2","120.04","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{2,5-Bis[(diisopropylphosphanyl)methyl]pyrrolido-κ^3^<i>P</i>,<i>N</i>,<i>P</i>'}dicarbonylchloridoiron(II)","","- C20 H34 Cl Fe N O2 P2 -","- C20 H34 Cl Fe N O2 P2 -","- C80 H136 Cl4 Fe4 N4 O8 P8 -","4","1","KY3121","Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.","Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors","Acta Crystallographica Section C","2017","73","7","569","574","10.1107/S2053229617009287","","","0.71073","MoKα","","0.0472","0.042","","","0.0886","0.0901","","","","","","1.306","","","","has coordinates,has disorder,has Fobs","199101","2020-10-21","18:00:00",""
"2020823","8.073","0.0002","12.4019","0.0003","15.2718","0.0004","106.744","0.002","101.979","0.002","96.647","0.002","1406.93","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[[aqua(μ~2~-naphthalene-2,6-dicarboxylato){μ~2~-4,4'-[oxybis(4,1-phenylene)]dipyridine}cadmium(II)] monohydrate]","","- C34 H26 Cd N2 O7 -","- C34 H26 Cd N2 O7 -","- C68 H52 Cd2 N4 O14 -","2","1","YP3134","Xie, Hua; Fang, Wang-Jian; Yao, Xiao-Qiang","A cadmium(II) coordination polymer with both polyrotaxane and polycatenane features constructed by a V-shaped semi-rigid ligand: synthesis and fluorescence properties","Acta Crystallographica Section C","2017","73","7","541","545","10.1107/S2053229617008804","","","1.54178","CuKα","","0.0296","0.0292","","","0.0767","0.077","","","","","","1.082","","","","has coordinates,has Fobs","199102","2020-10-21","18:00:00",""
"2020824","7.9818","0.0003","26.7046","0.0009","9.222","0.0003","90","","115.398","0.002","90","","1775.69","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-Tetramethylpyrazine‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","","- C14 H12 F3 I3 N2 -","- C14 H12 F3 I3 N2 -","- C56 H48 F12 I12 N8 -","4","1","YP3130","Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.","^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles","Acta Crystallographica Section C","2017","73","3","157","167","10.1107/S2053229616015023","","","0.71073","MoKα","","0.0326","0.029","","","0.0659","0.0674","","","","","","1.185","","","","has coordinates,has Fobs","199103","2020-10-21","18:00:00",""
"2020825","10.5079","0.0004","12.5632","0.0005","15.1563","0.0006","90","","102.49","0.002","90","","1953.47","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acridine‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","Dibenzo[<i>b</i>,<i>e</i>]pyridine‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","","- C19 H9 F3 I3 N -","- C19 H9 F3 I3 N -","- C76 H36 F12 I12 N4 -","4","1","YP3130","Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.","^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles","Acta Crystallographica Section C","2017","73","3","157","167","10.1107/S2053229616015023","","","0.71073","MoKα","","0.0237","0.0219","","","0.0525","0.0538","","","","","","1.052","","","","has coordinates,has Fobs","199103","2020-10-21","18:00:00",""
"2020826","8.6445","0.0003","14.0472","0.0006","15.8147","0.0006","90","","97.662","0.002","90","","1903.25","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,10-Phenanthroline‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","","- C18 H8 F3 I3 N2 -","- C18 H8 F3 I3 N2 -","- C72 H32 F12 I12 N8 -","4","1","YP3130","Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.","^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles","Acta Crystallographica Section C","2017","73","3","157","167","10.1107/S2053229616015023","","","0.71073","MoKα","","0.0283","0.0251","","","0.0572","0.0592","","","","","","1.148","","","","has coordinates,has Fobs","199103","2020-10-21","18:00:00",""
"2020827","11.731","0.004","14.274","0.005","13.211","0.005","90","","100.862","0.007","90","","2172.5","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[(μ-4,4'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ-2,4'-oxydibenzoato-κ^4^<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^4^,<i>O</i>^4'^)copper(II)] monohydrate]{[Cu(C~14~H~8~O~5~)(C~10~H~8~N~2~)]\χdotH~2~O","","- C24 H18 Cu N2 O6 -","- C24 H18 Cu N2 O6 -","- C96 H72 Cu4 N8 O24 -","4","1","OV3089","Tang, Long; Zhang, Juan; Liu, Xiao-Xia; Wang, Ji-Jiang; Fu, Feng","A two-dimensional copper(II) coordination polymer based on 2,4′-oxybis(benzoate) and 4,4′-bipyridine","Acta Crystallographica Section C Structural Chemistry","2017","73","7","","","10.1107/S2053229617007537","","","0.71073","MoKα","","0.0743","0.0419","","","0.1007","0.1094","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","199104","2020-10-21","18:00:00",""
"2020832","11.7931","0.0005","10.4209","0.0005","14.0792","0.0006","90","","111.081","0.001","90","","1614.46","0.12","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(11<i>bS</i>)-<i>N</i>-[(2<i>S</i>,4<i>S</i>)-4-(Diphenylphosphanyl)pentan-2-yl]-<i>N</i>-methyldinaphtho[2,1-<i>d</i>:1',2'-<i>f</i>][1,3,2]dioxaphosphepin-4-amine","","- C38 H35 N O2 P2 -","- C38 H35 N O2 P2 -","- C76 H70 N2 O4 P4 -","2","1","SK3658","Balogh, Szabolcs; Farkas, Gergely; Holczbauer, Tamás; Bakos, József","Origin of the chemical stability of phosphine-phosphoramidites: structural study of an UPPhos-type crystal and application of UPPhos in the asymmetric hydrogenation of imines","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010403","","","0.71075","MoKα","","0.0658","0.0439","","","0.0831","0.0899","","","","","","1.031","","","","has coordinates,has Fobs","199342","2020-10-21","18:00:00",""
"2020833","7.0166","0.0003","27.4725","0.0011","7.1101","0.0003","90","","113.738","0.001","90","","1254.61","0.09","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl[(1',2',3',4',5',6'-η)-2-fluoro-1,1'-biphenyl]chromium(0)","","- C15 H9 Cr F O3 -","- C15 H9 Cr F O3 -","- C60 H36 Cr4 F4 O12 -","4","1","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","0.71073","MoKα","","0.0258","0.024","","","0.0666","0.0682","","","","","","1.074","","","","has coordinates,has Fobs","199383","2020-10-21","18:00:00",""
"2020834","7.0616","0.0005","28.3503","0.0019","7.0571","0.0004","90","","114.324","0.005","90","","1287.41","0.15","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl[(1',2',3',4',5',6'-η)-4-fluoro-1,1'-biphenyl]chromium(0)","","- C15 H9 Cr F O3 -","- C15 H9 Cr F O3 -","- C60 H36 Cr4 F4 O12 -","4","1","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","1.54178","CuKα","","0.0284","0.0279","","","0.0767","0.077","","","","","","1.093","","","","has coordinates,has Fobs","199383","2020-10-21","18:00:00",""
"2020835","12.9824","0.0009","23.0588","0.0015","5.7527","0.0004","90","","90","","90","","1722.1","0.2","100","","100.02","","","","","","","","","3","F d d 2","F 2 -2d","43","","4-Fluoro-1,1'-biphenyl","","- C12 H9 F -","- C12 H9 F -","- C96 H72 F8 -","8","0.5","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","1.54178","CuKα","","0.0387","0.0385","","","0.1062","0.1066","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","199383","2020-10-21","18:00:00",""
"2020836","5.6462","0.0014","20.739","0.005","7.292","0.002","90","","90","","90","","853.9","0.4","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","","2-Fluoro-1,1'-biphenyl","","- C12 H9 F -","- C12 H9 F -","- C48 H36 F4 -","4","0.5","YF3123","Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.","Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617010774","","","0.71073","MoKα","","0.0495","0.045","","","0.1387","0.1434","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","199383","2020-10-21","18:00:00",""
"2020837","13.264","0.003","9.0189","0.0018","14.709","0.003","90","","107.04","0.03","90","","1682.3","0.7","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[[diaquabis{2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}cobalt(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] dihydrate]","","- C32 H36 Co N8 O8 -","- C32 H35.994 Co N8 O8 -","- C64 H71.988 Co2 N16 O16 -","2","0.5","","Huang, Qiu-Ying; Zhao, Yang; Meng, Xiang-Ru","Syntheses, structures and characterization of isomorphous Co^II^and Ni^II^ coordination polymers based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate","Acta Crystallographica Section C","2017","73","8","645","651","10.1107/S2053229617010877","","","0.71073","MoKα","","0.0555","0.0516","","","0.0936","0.0955","","","","","","1.225","","","","has coordinates,has disorder,has Fobs","199433","2020-10-21","18:00:00",""
"2020838","13.192","0.003","9.018","0.0018","14.67","0.003","90","","106.84","0.03","90","","1670.4","0.7","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[[diaquabis{2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}nickel(II)]-μ~2~-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] dihydrate]","","- C32 H36 N8 Ni O8 -","- C32 H36 N8 Ni O8 -","- C64 H72 N16 Ni2 O16 -","2","0.5","","Huang, Qiu-Ying; Zhao, Yang; Meng, Xiang-Ru","Syntheses, structures and characterization of isomorphous Co^II^and Ni^II^ coordination polymers based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate","Acta Crystallographica Section C","2017","73","8","645","651","10.1107/S2053229617010877","","","0.71073","MoKα","","0.0442","0.0387","","","0.0872","0.0904","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","199433","2020-10-21","18:00:00",""
"2020840","4.9801","0.0001","17.4771","0.0002","23.1","0.0002","90","","94.124","0.001","90","","2005.37","0.05","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dibenzo-21-crown-7","Dibenzo[<i>b</i>,<i>k</i>][1,4,7,10,13,16,19]heptaoxacyclohenicosa-2,11-diene","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","1","SK3663","Wiedemann, Dennis; Kohl, Julia","Invariom-model refinement and Hirshfeld surface analysis of well-ordered solvent-free dibenzo-21-crown-7","Acta Crystallographica Section C Structural Chemistry","2017","73","9","","","10.1107/S2053229617011160","","","1.54184","CuKα","","0.0324","0.0296","","","","0.0836","","","","","","0.9807","","","","has coordinates,has Fobs","199554","2020-10-21","18:00:00",""
"2020841","4.9801","0.0001","17.4771","0.0002","23.1","0.0002","90","","94.124","0.001","90","","2005.37","0.05","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dibenzo-21-crown-7","Dibenzo[<i>b</i>,<i>k</i>][1,4,7,10,13,16,19]heptaoxacyclohenicosa-2,11-diene","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","1","SK3663","Wiedemann, Dennis; Kohl, Julia","Invariom-model refinement and Hirshfeld surface analysis of well-ordered solvent-free dibenzo-21-crown-7","Acta Crystallographica Section C Structural Chemistry","2017","73","9","","","10.1107/S2053229617011160","","","1.54184","CuKα","","0.0417","0.0378","","","0.0997","0.1029","","","","","","1.048","","","","has coordinates,has Fobs","199554","2020-10-21","18:00:00",""
"2020842","9.3455","0.0009","13.1854","0.001","9.2185","0.0008","90","","118.466","0.011","90","","998.61","0.18","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3,5-Trifluoro-2,4,6-triiodobenzene","","- C6 F3 I3 -","- C6 F3 I3 -","- C24 F12 I12 -","4","1","UK3135","Raffo, Pablo A.; Suárez, Sebastián; Fantoni, Adolfo C.; Baggio, Ricardo; Cukiernik, Fabio D.","Polymorphism of a widely used building block for halogen-bonded assemblies: 1,3,5-trifluoro-2,4,6-triiodobenzene","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011007","","","0.71073","MoKα","","0.0868","0.0538","","","0.132","0.1653","","","","","","1.058","","","","has coordinates,has Fobs","199555","2020-10-21","18:00:00",""
"2020843","9.1077","0.0007","13.5893","0.0011","19.476","0.0016","90","","90","","90","","2410.5","0.3","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","A646 (Breton2016)","4-Methyl-1-[4-methyl-3,5-dioxo-2-(2,4,6-trimethylphenyl)-1,2,4-triazolidin-1-yl]-2-(2,4,6-trimethylphenyl)-1,2,4-triazolidine-3,5-dione","","- C24 H28 N6 O4 -","- C24 H28 N6 O4 -","- C96 H112 N24 O16 -","4","0.5","FN3238","Martin, Kenneth L.; Breton, Gary W.","Computational, ^1^H NMR, and X-ray structural studies on 1-arylurazole tetrazane dimers","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617010786","","","0.71073","MoKα","","0.0492","0.0446","","","0.1195","0.1261","","","","","","1.041","","","","has coordinates,has Fobs","199556","2020-10-21","18:00:00",""
"2020844","15.8635","0.0002","15.8635","0.0002","8.9754","0.0001","90","","90","","120","","1956.06","0.04","293","2","293","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C12 H11 Cl N3 O P -","- C12 H11 Cl N3 O P -","- C72 H66 Cl6 N18 O6 P6 -","6","1","LY3049","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Ghorbanian, Nazila; Andreev, Pavel V.","A novel tubular hydrogen-bond pattern in a new diazaphosphole oxide: a combination of X-ray crystallography and theoretical study of hydrogen bonds","Acta Crystallographica Section C","2017","73","7","508","516","10.1107/S205322961700794X","","","0.71073","MoKα","","0.0421","0.0407","","","","0.1084","","","","","","1.07","","","","has coordinates,has Fobs","199598","2020-10-21","18:00:00",""
"2020845","8.4211","0.0011","9.5379","0.0012","9.7491","0.0012","83.531","0.006","66.048","0.004","85.922","0.006","710.78","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]bis(dicyanamido-κ<i>N</i>^1^)zinc(II)","","- C28 H20 N18 Zn -","- C28 H20 N18 Zn -","- C28 H20 N18 Zn -","1","0.5","SK3666","Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher","Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011391","","","0.71073","MoKα","","0.0695","0.0445","","","0.1059","0.1172","","","","","","1.019","","","","has coordinates,has Fobs","199636","2020-10-21","18:00:00",""
"2020846","8.7209","0.0004","8.7949","0.0004","10.349","0.0004","91.966","0.002","94.945","0.002","112.682","0.002","727.67","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]bis(dicyanamido-κ<i>N</i>^1^)cadmium(II)","","- C28 H20 Cd N18 -","- C28 H20 Cd N18 -","- C28 H20 Cd N18 -","1","0.5","SK3666","Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher","Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011391","","","0.71073","MoKα","","0.0341","0.0299","","","0.0664","0.0679","","","","","","1.098","","","","has coordinates,has Fobs","199636","2020-10-21","18:00:00",""
"2020847","9.271","0.005","9.571","0.005","10.156","0.005","87.833","0.005","68.383","0.005","88.803","0.005","837.2","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]bis(tricyanomethanido-κ<i>N</i>^1^)cadmium(II)","","- C32 H20 Cd N18 -","- C32 H20 Cd N18 -","- C32 H20 Cd N18 -","1","0.5","SK3666","Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher","Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011391","","","0.71073","MoKα","","0.0306","0.0262","","","0.0611","0.0635","","","","","","1.057","","","","has coordinates,has Fobs","199636","2020-10-21","18:00:00",""
"2020848","13.0866","0.0016","21.934","0.003","24.898","0.003","90","","91.214","0.004","90","","7145.2","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Cryptand-222)potassium (2-methylimidazolato)(<i>meso</i>-tetraphenylporphinato)ferrate(II)‒2-methylimidazole‒tetrahydrofuran (1/1/2)","(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)potassium (2-methylimidazolato)(<i>meso</i>-tetraphenylporphinato)ferrate(II)‒2-methylimidazole‒tetrahydrofuran (1/1/2)","","- C78 H91 Fe K N10 O8 -","- C78 H91 Fe K N10 O8 -","- C312 H364 Fe4 K4 N40 O32 -","4","1","EG3222","Wu, Qi; Yao, Zhen; Li, Jianfeng","Synthesis and characterization of (cryptand-222)potassium (2-methylimidazolato)(<i>meso</i>-tetraphenylporphinato)ferrate(II)‒2-methylimidazole‒tetrahydrofuran (1/1/2)","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617009202","","","0.71073","MoKα","","0.0483","0.0357","","","0.0803","0.0866","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","199667","2020-10-21","18:00:00",""
"2020849","10.6134","0.0014","15.7166","0.0016","11.8754","0.0017","90","","100.376","0.005","90","","1948.5","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido{5,6-dimethyl-2-(pyridin-2-yl)-1-(pyridin-2-ylmethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^}platinum(II)","","- C20 H18 Cl2 N4 Pt -","- C20 H18 Cl2 N4 Pt -","- C80 H72 Cl8 N16 Pt4 -","4","1","UK3137","DeStefano, Matthew R.; Geiger, David K.","A luminescent bis(pyridyl)-substituted benzimidazole platinum(II) complex exhibiting an intermolecular anagostic interaction","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011573","","","0.71073","MoKa","","0.0506","0.0331","","","0.0641","0.0691","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","199699","2020-10-21","18:00:00",""
"2020850","48.675","0.003","8.375","0.0005","16.3155","0.0009","90","","100.716","0.002","90","","6535.1","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis(dimethylformamide-κ<i>O</i>)(perchlorato-κ<i>O</i>)[2-(quinolin-2-yl)-1,3-oxazolo[4,5-<i>f</i>][1,10]phenanthroline]copper(II) perchlorate monohydrate","","- C28 H30 Cl2 Cu N6 O13 -","- C28 H30 Cl2 Cu N6 O13 -","- C224 H240 Cl16 Cu8 N48 O104 -","8","1","SK3665","Bhat, Satish S.; Revankar, Vidyanand K.; Shivalingegowda, Naveen; Lokanath, N. K.","A fluorophore-labelled copper complex: crystal structure, hybrid cyclic water‒perchlorate cluster and biological properties","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011639","","","1.54178","CuKα","","0.0522","0.0466","","","0.1268","0.132","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","199767","2020-10-21","18:00:00",""
"2020851","10.6003","0.0002","14.0573","0.0003","15.8141","0.0002","90","","104.016","0.001","90","","2286.33","0.07","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-oxo-2-phenyl-4<i>H</i>-chromen-3-olato)-κ^3^<i>O</i>^3^:<i>O</i>^3^,<i>O</i>^4^;κ^3^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc(II)] bis(perchlorate)","","- C50 H34 Cl2 N4 O14 Zn2 -","- C50 H34 Cl2 N4 O14 Zn2 -","- C100 H68 Cl4 N8 O28 Zn4 -","2","0.5","LG3207","Sorenson, Shayne; Popova, Marina; Arif, Atta M.; Berreau, Lisa M.","A bipyridine-ligated zinc(II) complex with bridging flavonolate ligation: synthesis, characterization, and visible-light-induced CO release reactivity","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011366","","","0.71073","MoKα","","0.0478","0.0372","","","0.0878","0.0933","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","199768","2020-10-21","18:00:00",""
"2020852","7.3985","0.0004","16.498","0.0009","22.9089","0.0013","90","","98.3739","0.001","90","","2766.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1","<i>catena</i>-Poly[[bromidomercury(II)]-μ-bromido-[aquabis[4-hydroxy-3-(pyridin-4-yl)pent-3-en-2-one]cadmium(II)]-di-μ-bromido]","","- C20 H24 Br4 Cd Hg N2 O5 -","- C20 H24 Br4 Cd Hg N2 O5 -","- C80 H96 Br16 Cd4 Hg4 N8 O20 -","4","1","YF3124","Truong, Khai-Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: Cd^II^ and Hg^II^ compete for nitrogen coordination","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011408","","","0.71073","MoKα","","0.0457","0.0362","","","0.0789","0.0825","","","","","","1.025","","","","has coordinates,has Fobs","199769","2020-10-21","18:00:00",""
"2020853","5.3945","0.0004","9.1577","0.0005","43.475","0.004","90","","90","","90","","2147.7","0.3","253","2","253","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>,6<i>R</i>)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylsulfanyl)tetrahydro-2<i>H</i>-pyran-3,4,5-triol","","- C21 H25 Cl O5 S -","- C21 H25 Cl O5 S -","- C84 H100 Cl4 O20 S4 -","4","1","FM3052","Gelbrich, Thomas; Adamer, Verena; Stefinovic, Marijan; Thaler, Andrea; Griesser, Ulrich J.","Hydrogen-bonded structures and interaction energies in two forms of the SGLT-2 inhibitor sotagliflozin","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011603","","","1.54184","CuKα","","0.0616","0.0441","","","0.0935","0.1082","","","","","","1.069","","","","has coordinates,has Fobs","199770","2020-10-21","18:00:00",""
"2020854","4.4659","0.0003","9.8994","0.0008","48.073","0.005","90","","90","","90","","2125.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>,6<i>R</i>)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylsulfanyl)tetrahydro-2<i>H</i>-pyran-3,4,5-triol monohydrate","","- C21 H27 Cl O6 S -","- C21 H27 Cl O6 S -","- C84 H108 Cl4 O24 S4 -","4","1","FM3052","Gelbrich, Thomas; Adamer, Verena; Stefinovic, Marijan; Thaler, Andrea; Griesser, Ulrich J.","Hydrogen-bonded structures and interaction energies in two forms of the SGLT-2 inhibitor sotagliflozin","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011603","","","1.54184","CuKα","","0.0832","0.073","","","0.1434","0.149","","","","","","1.35","","","","has coordinates,has Fobs","199770","2020-10-21","18:00:00",""
"2020855","10.3583","0.0002","13.1393","0.0003","17.7722","0.0004","90","","92.291","0.002","90","","2416.88","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Trimethoprimium ferrocenecarboxylate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium ferrocene-1-carboxylate","","- C25 H28 Fe N4 O5 -","- C25 H28 Fe N4 O5 -","- C100 H112 Fe4 N16 O20 -","4","1","KU3202","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in the salt trimethoprimium ferrocene-1-carboxylate and the cocrystal 4-amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011913","","","0.71073","MoKα","","0.0438","0.0344","","","0.0851","0.0903","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","199852","2020-10-21","18:00:00",""
"2020856","20.8783","0.0007","7.4013","0.0002","23.2605","0.0008","90","","108.146","0.004","90","","3415.6","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","4-Amino-5-chloro-2,6-dimethylpyrimidine ferrocenecarboxylic acid","4-Amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)","","- C17 H18 Cl Fe N3 O2 -","- C17 H18 Cl Fe N3 O2 -","- C136 H144 Cl8 Fe8 N24 O16 -","8","1","","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in the salt trimethoprimium ferrocene-1-carboxylate and the cocrystal 4-amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011913","","","0.71073","MoKα","","0.0437","0.032","","","0.0772","0.084","","","","","","1.069","","","","has coordinates,has Fobs","199852","2020-10-21","18:00:00",""
"2020857","16.56","0.003","13.383","0.003","13.302","0.003","90","","111.47","0.03","90","","2743.5","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[[μ~4~-1,4-bis(1,2,4-triazol-1-yl)but-2-ene]bis(μ~3~-5-carboxybenzene-1,3-dicarboxylato)dicadmium(II)] dihydrate]","","- C13 H11 Cd N3 O7 -","- C26 H22 Cd2 N6 O14 -","- C104 H88 Cd8 N24 O56 -","4","0.5","EG3225","Zhou, Qian-Kun; Li, Ni-Ya","A three-dimensional cadmium coordination polymer based on 1,4-bis(1,2,4-triazol-1-yl)but-2-ene and benzene-1,3,5-tricarboxylic acid","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617012189","","","0.71073","MoKα","","0.0209","0.0201","","","0.0468","0.0473","","","","","","1.157","","","","has coordinates,has Fobs","199942","2020-10-21","18:00:00",""
"2020898","5.1217","0.0009","9.8397","0.0014","21.914","0.004","90","","90","","90","","1104.4","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","26-DAP","Pyridine-2,6-diamine","","- C5 H7 N3 -","- C5 H7 N3 -","- C40 H56 N24 -","8","1","QS3064","Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A.","A new polymorph of 2,6-diaminopyridine","Acta Crystallographica Section C","2017","73","11","990","993","10.1107/S2053229617014978","","","0.71073","MoKα","","0.1189","0.0561","","","0.1204","0.149","","","","","","0.984","","","","has coordinates,has Fobs","205301","2020-10-21","18:00:00",""
"2020899","4.5031","0.0011","6.586","0.0016","10.572","0.003","90","","96.54","0.006","90","","311.5","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Adiponitrile","Hexane-1,6-dinitrile","","- C6 H8 N2 -","- C6 H8 N2 -","- C12 H16 N4 -","2","0.5","SK3672","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","Adiponitrile at 100K","Acta Crystallographica Section C","2017","73","11","937","940","10.1107/S2053229617014620","","","1.54178","CuKα","","0.0456","0.0453","","","0.1305","0.1309","","","","","","1.141","","","","has coordinates,has Fobs","205302","2020-10-21","18:00:00",""
"2020900","8.4341","0.0002","8.6991","0.0002","10.1083","0.0002","91.249","0.002","113.506","0.002","110.292","0.002","626.74","0.03","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Methoxyphenyl)-<i>N</i>'-(pyridin-2-yl)thiourea","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C26 H26 N6 O2 S2 -","2","1","YF3126","Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole","Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole","Acta Crystallographica Section C","2017","73","11","905","910","10.1107/S205322961701381X","","","1.54184","CuKα","","0.0337","0.033","","","0.0835","0.0838","","","","","","1.109","","","","has coordinates,has Fobs","205305","2020-10-21","18:00:00",""
"2020901","18.1534","0.0004","7.1814","0.0001","21.8523","0.0004","90","","90","","90","","2848.82","0.09","110","2","110.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","Aquabis[5-methoxy-<i>N</i>-(pyridin-2-yl-κ<i>N</i>)benzothiazol-2-amine-κ<i>N</i>^3^]copper(II) dinitrate","","- C26 H24 Cu N8 O9 S2 -","- C26 H24 Cu N8 O9 S2 -","- C104 H96 Cu4 N32 O36 S8 -","4","0.5","YF3126","Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole","Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole","Acta Crystallographica Section C","2017","73","11","905","910","10.1107/S205322961701381X","","","0.71073","MoKα","","0.0497","0.0497","","","0.1052","0.1052","","","","","","1.335","","","","has coordinates,has Fobs","205305","2020-10-21","18:00:00",""
"2020902","10.0052","0.0001","12.594","0.0002","12.9412","0.0001","111.867","0.001","97.271","0.001","99.755","0.001","1459.04","0.03","110","2","110.15","","","","","","","","","7","P -1","-P 1","2","","Bis{2-[(5-methoxy-1,3-benzothiazol-2-yl)amino]pyridin-1-ium} dichloridogold(I) chloride monohydrate","","- C26 H26 Au Cl3 N6 O3 S2 -","- C26 H26 Au Cl3 N6 O3 S2 -","- C52 H52 Au2 Cl6 N12 O6 S4 -","2","1","YF3126","Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole","Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole","Acta Crystallographica Section C","2017","73","11","905","910","10.1107/S205322961701381X","","","0.71073","MoKα","","0.0185","0.0182","","","0.0408","0.0408","","","","","","1.209","","","","has coordinates,has Fobs","205305","2020-10-21","18:00:00",""
"2020903","12.0312","0.0006","16.1528","0.0008","8.1007","0.0004","90","","107.295","0.006","90","","1503.09","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Potassium [2-methoxy-4-(prop-2-en-1-yl)phenol]trichloridoplatinate","","- C10 H12 Cl3 K O2 Pt -","- C10 H12 Cl3 K O2 Pt -","- C40 H48 Cl12 K4 O8 Pt4 -","4","1","SK3673","Nguyen Thi Thanh, Chi; Truong Thi Cam, Mai; Pham Van, Thong; Nguyen, Long; Nguyen Ha, My; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity of platinum(II) complexes containing eugenol and a quinolin-8-ol-derived chelator","Acta Crystallographica Section C","2017","73","11","1030","1037","10.1107/S2053229617015200","","","0.71073","MoKα","","0.0245","0.0227","","","0.0411","0.0417","","","","","","1.197","","","","has coordinates,has disorder,has Fobs","205306","2020-10-21","18:00:00",""
"2020904","8.1313","0.0003","11.296","0.0005","11.4294","0.0007","88.793","0.004","76.567","0.004","70.219","0.004","958.93","0.09","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Chlorido(5,7-dichloroquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)[η^2^-2-methoxy4-(prop-2-en-1-yl)phenol]platinum(II)","","- C19 H16 Cl3 N O3 Pt -","- C19 H16 Cl3 N O3 Pt -","- C38 H32 Cl6 N2 O6 Pt2 -","2","1","SK3673","Nguyen Thi Thanh, Chi; Truong Thi Cam, Mai; Pham Van, Thong; Nguyen, Long; Nguyen Ha, My; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity of platinum(II) complexes containing eugenol and a quinolin-8-ol-derived chelator","Acta Crystallographica Section C","2017","73","11","1030","1037","10.1107/S2053229617015200","","","0.71073","MoKα","","0.0411","0.0359","","","0.0841","0.0882","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","205306","2020-10-21","18:00:00",""
"2020905","7.1226","0.0014","9.0134","0.0018","9.1203","0.0018","103.16","0.03","107.48","0.03","106.69","0.03","502.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-1,2,4-triazol-4-ide-3-carboxylato)-κ^3^<i>N</i>^2^,<i>O</i>:<i>N</i>^1^;κ^3^<i>N</i>^1^:<i>N</i>^2^,<i>O</i>-bis[triamminenickel(II)] tetrahydrate","","- C6 H28 N12 Ni2 O8 -","- C6 H28 N12 Ni2 O8 -","- C6 H28 N12 Ni2 O8 -","1","0.5","FP3038","Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng","Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid","Acta Crystallographica Section C","2017","73","11","1010","1016","10.1107/S2053229617012943","","","0.71073","MoKα","","0.0294","0.0275","","","0.07","0.0711","","","","","","1.06","","","","has coordinates,has Fobs","205307","2020-10-21","18:00:00",""
"2020906","7.2183","0.0014","7.4079","0.0015","9.887","0.002","72.45","0.03","68.82","0.03","62.74","0.03","432.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diamminediaquacopper(II)]-μ-1,2,4-triazol-4-ide-3-carboxylato-κ^3^<i>N</i>^1^:<i>N</i>^4^,<i>O</i>-[diamminecopper(II)]-μ-1,2,4-triazol-4-ide-3-carboxylato-κ^3^<i>N</i>^4^,<i>O</i>:<i>N</i>^1^] dihydrate]","","- C3 H11 Cu N5 O4 -","- C3 H11 Cu N5 O4 -","- C6 H22 Cu2 N10 O8 -","2","1","FP3038","Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng","Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid","Acta Crystallographica Section C","2017","73","11","1010","1016","10.1107/S2053229617012943","","","0.71073","MoKα","","0.0576","0.0521","","","0.1392","0.145","","","","","","1.036","","","","has coordinates,has Fobs","205307","2020-10-21","18:00:00",""
"2020907","7.0765","0.0014","12.676","0.003","20.591","0.004","90","","98.7","0.03","90","","1825.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(μ-5-Amino-1,2,4-triazol-1-ide-3-carboxylato-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[triamminecobalt(III)] nitrate hydroxide trihydrate","","- C3 H29 Co2 N11 O11 -","- C3 H29 Co2 N11 O11 -","- C12 H116 Co8 N44 O44 -","4","1","FP3038","Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng","Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid","Acta Crystallographica Section C","2017","73","11","1010","1016","10.1107/S2053229617012943","","","0.71073","MoKα","","0.0338","0.0308","","","0.0825","0.0843","","","","","","1.058","","","","has coordinates,has Fobs","205307","2020-10-21","18:00:00",""
"2020908","11.5305","0.0006","8.2823","0.0004","11.502","0.0006","90","","118.304","0.007","90","","967.11","0.11","298.15","","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,4,5-Triflurophenylboronic acid‒urea (1/1)","3,4,5-Triflurophenylboronic acid‒carbonic diamide (1/1)","","- C7 H8 B F3 N2 O3 -","- C7 H8 B F3 N2 O3 -","- C28 H32 B4 F12 N8 O12 -","4","1","LY3050","Kopczyńska, Karolina; Marek, Paulina H.; Banaś, Bartłomiej; Madura, Izabela D.","Synthon preference in the cocrystal of 3,4,5-trifluorophenylboronic acid with urea","Acta Crystallographica Section C","2017","73","11","889","895","10.1107/S2053229617013675","","","1.54184","CuKα","","0.0451","0.0341","","","0.0827","0.0903","","","","","","1.041","","","","has coordinates,has Fobs","205308","2020-10-21","18:00:00",""
"2020909","2.5408","0.0003","2.5408","0.0003","7.5989","0.0009","90","","90","","120","","42.484","0.009","293","2","293","2","","","","","","","","3","P -6 m 2","P -6 2","187","","Lithium boron tricarbide","","- C3 B Li0.96 -","- C3 B Li0.98 -","- C3 B Li0.98 -","1","0.0833333","","Milashius, Viktoria; Pavlyuk, Volodymyr; Kluziak, Karolina; Dmytriv, Grygoriy; Ehrenberg, Helmut","LiBC~3~: a new borocarbide based on graphene and heterographene networks","Acta Crystallographica Section C","2017","73","11","984","989","10.1107/S2053229617015182","","","0.71073","MoKα","","0.0348","0.0323","","","0.0959","0.0984","","","","","","1.231","","","","has coordinates,has Fobs","205309","2020-10-21","18:00:00",""
"2020910","8.596","","11.217","","15.161","","92.88","","104.12","","91.19","","1415.06","","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","<i>fac</i>-Tricarbonyl[2-(pyridin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>'](4-vinylpyridine-κ<i>N</i>)rhenium(I) trifluoromethanesulfonate","","- C24 H17 Cl2 F3 N3 O6 Re S2 -","- C24 H17 Cl2 F3 N3 O6 Re S2 -","- C48 H34 Cl4 F6 N6 O12 Re2 S4 -","2","1","OV3097","Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip","Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline","Acta Crystallographica Section C","2017","73","11","923","929","10.1107/S2053229617014644","","","0.71073","MoKα","","0.0216","0.0204","","","0.0508","0.0514","","","","","","1.035","","","","has coordinates","205310","2020-10-21","18:00:00",""
"2020911","12.814","0.003","12.088","0.002","18.248","0.004","90","","96.56","0.03","90","","2808","1","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Tricarbonyl[2-(quinolin-2-yl)-1,3-benzothiazole-κ^2^<i>N</i>,<i>N</i>'](4-vinylpyridine-κ<i>N</i>)rhenium(I) trifluoromethanesulfonate 0.28-hydrate","","- C27 H17 F3 N3 O6.28 Re S2 -","- C27.001 H17 F3.003 N3 O6.282 Re S2.001 -","- C108.004 H68 F12.012 N12 O25.128 Re4 S8.004 -","4","1","OV3097","Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip","Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline","Acta Crystallographica Section C","2017","73","11","923","929","10.1107/S2053229617014644","","","0.71073","MoKα","","0.0598","0.0424","","","0.0978","0.1042","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","205310","2020-10-21","18:00:00",""
"2020912","12.398","0.002","12.878","0.003","15.393","0.003","90","0.03","91.83","0.03","90","0.03","2456.4","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Tricarbonyl[1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>'](4-vinylpyridine-κ<i>N</i>)rhenium(I) trifluoromethanesulfonate","","- C23 H15 F3 N3 O6 Re S -","- C23 H15 F3 N3 O6 Re S -","- C92 H60 F12 N12 O24 Re4 S4 -","4","1","OV3097","Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip","Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline","Acta Crystallographica Section C","2017","73","11","923","929","10.1107/S2053229617014644","","","0.71073","MoKα","","0.0216","0.0188","","","0.0447","0.046","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","205310","2020-10-21","18:00:00",""
"2020913","10.5928","0.0005","10.7082","0.0005","12.4943","0.0006","69.019","0.004","71.705","0.004","88.11","0.003","1251.32","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Pyridin-2-one-κ<i>O</i>)bis(4,4,4-trifluoro-3-oxo-1-phenylbutan-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C25 H17 Cu F6 N O5 -","- C25 H17 Cu F6 N O5 -","- C50 H34 Cu2 F12 N2 O10 -","2","1","KU3208","Perdih, Franc","Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks","Acta Crystallographica Section C","2017","73","11","960","967","10.1107/S2053229617014875","","","0.71073","MoKα","","0.109","0.0517","","","0.0993","0.1182","","","","","","0.986","","","","has coordinates,has Fobs","205311","2020-10-21","18:00:00",""
"2020914","10.0085","0.0003","14.154","0.0005","11.2503","0.0003","90","","110.022","0.004","90","","1497.4","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(pyridin-3-ol-κ<i>O</i>)bis(4,4,4-trifluoro-3-oxo-1-phenylbutan-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C30 H22 Cu F6 N2 O6 -","- C30 H22 Cu F6 N2 O6 -","- C60 H44 Cu2 F12 N4 O12 -","2","0.5","KU3208","Perdih, Franc","Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks","Acta Crystallographica Section C","2017","73","11","960","967","10.1107/S2053229617014875","","","1.54184","CuKα","","0.0546","0.048","","","0.1412","0.1493","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","205311","2020-10-21","18:00:00",""
"2020915","7.595","0.0003","9.6764","0.0004","10.7507","0.0004","108.71","0.002","101.727","0.002","93.65","0.002","725.61","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(3-hydroxypyridin-2-one-κ<i>O</i>)bis(4,4,4-trifluoro-3-oxo-1-phenylbutan-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C30 H22 Cu F6 N2 O8 -","- C30 H22 Cu F6 N2 O8 -","- C30 H22 Cu F6 N2 O8 -","1","0.5","KU3208","Perdih, Franc","Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks","Acta Crystallographica Section C","2017","73","11","960","967","10.1107/S2053229617014875","","","0.71073","MoKα","","0.041","0.0328","","","0.0808","0.086","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","205311","2020-10-21","18:00:00",""
"2020916","7.3585","0.0015","8.796","0.0018","17.619","0.003","79.56","0.03","84.69","0.03","78.96","0.03","1098.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[benzyltriethylammonium [tri-μ-dicyanamido-κ^6^<i>N</i>^1^:<i>N</i>^5^-cadmium(II)]]","","- C19 H22 Cd N10 -","- C19 H22 Cd N10 -","- C38 H44 Cd2 N20 -","2","1","CU3115","Lu, Yang; Liao, Wei-Qiang; Hua, Xiu-Ni","A new two-dimensional polymeric cadmium(II) complex containing dicyanamide bridging ligands","Acta Crystallographica Section C","2017","73","11","885","888","10.1107/S2053229617013614","","","0.71073","MoKα","","0.0858","0.0442","","","0.0823","0.0946","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","205312","2020-10-21","18:00:00",""
"2020917","9.207","0.0002","8.21","0.0002","28.27","0.0007","90","","90","","90","","2136.91","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(2-Hydroxypropyl)-3-phenylprop-2-enamide","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0504","0.0397","","","0.0928","0.0983","","","","","","1.047","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020918","10.627","0.0004","9.249","0.0004","24.623","0.0009","90","","90","","90","","2420.17","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(1-Hydroxybutan-2-yl)-3-phenylprop-2-enamide","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C104 H136 N8 O16 -","8","1","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0712","0.0482","","","0.1242","0.1371","","","","","","1.038","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020919","14.294","0.0007","11.448","0.0006","16.112","0.0009","90","","110.158","0.003","90","","2475","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","2","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0833","0.0514","","","0.1122","0.1282","","","","","","1.039","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020920","9.3874","0.0004","10.5102","0.0004","15.4295","0.0006","71.167","0.001","83.335","0.002","87.73","0.001","1431.09","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","6-Amino-5-chloro-2,4-dimethylpyridin-1-ium 5-chloro-2-hydroxybenzoate","","- C13 H13 Cl2 N3 O3 -","- C13 H13 Cl2 N3 O3 -","- C52 H52 Cl8 N12 O12 -","4","2","YF3127","Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher","Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate","Acta Crystallographica Section C","2017","73","11","862","868","10.1107/S2053229617013481","","","1.54178","CuKα","","0.0371","0.0322","","","0.0771","0.0812","","","","","","1.068","","","","has coordinates,has Fobs","205314","2020-10-21","18:00:00",""
"2020921","24.7483","0.0012","6.9525","0.0003","18.1423","0.0008","90","","111.5","0.003","90","","2904.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyridin-1-ium 5-chloro-2-hydroxybenzoate","","- C13 H13 Cl2 N3 O3 -","- C13 H13 Cl2 N3 O3 -","- C104 H104 Cl16 N24 O24 -","8","2","YF3127","Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher","Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate","Acta Crystallographica Section C","2017","73","11","862","868","10.1107/S2053229617013481","","","1.54178","CuKα","","0.0427","0.0384","","","0.1009","0.1038","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","205314","2020-10-21","18:00:00",""
"2020922","6.7335","0.0003","7.6307","0.0004","25.0638","0.001","90","","93.928","0.004","90","","1284.79","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4,6-dimethoxypyrimidin-1ium thiophene-2-carboxylate","","- C11 H13 N3 O4 S -","- C11 H13 N3 O4 S -","- C44 H52 N12 O16 S4 -","4","1","YF3127","Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher","Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate","Acta Crystallographica Section C","2017","73","11","862","868","10.1107/S2053229617013481","","","0.71073","MoKα","","0.0715","0.0474","","","0.1063","0.1193","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","205314","2020-10-21","18:00:00",""
"2020923","12.2643","0.0001","12.2643","0.0001","12.2643","0.0001","90","","90","","90","","1844.71","0.03","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Tricaesium lithium dizinc tetrakis(tetraoxotungstate)","","- Cs3 Li O16 W4 Zn2 -","- Cs3 Li0.99 O16 W4 Zn2.01 -","- Cs12 Li3.96 O64 W16 Zn8.04 -","4","0.0833333","LY3054","Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Kadyrova, Yulia M.; Savina, Aleksandra A.; Stefanovich, Sergey Yu.; Khaikina, Elena G.","Cs~3~LiZn~2~(WO~4~)~4~ and Rb~3~Li~2~Ga(MoO~4~)~4~: different filled derivatives of the cation-deficient Cs~6~Zn~5~(MoO~4~)~8~ structure","Acta Crystallographica Section C","2017","73","11","946","952","10.1107/S205322961701378X","","","0.71073","MoKα","","0.0181","0.0176","","","0.0345","0.0346","","","","","","1.388","","","","has coordinates,has Fobs","205315","2020-10-21","18:00:00",""
"2020924","11.8635","0.0003","11.8635","0.0003","11.8932","0.0004","90","","90","","90","","1673.88","0.08","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Tricaesium dilithium gallium tetrakis(tetraoxomolybdate)","","- Ga Li2 Mo4 O16 Rb3 -","- Ga Li2 Mo4 O16 Rb3 -","- Ga4 Li8 Mo16 O64 Rb12 -","4","0.25","LY3054","Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Kadyrova, Yulia M.; Savina, Aleksandra A.; Stefanovich, Sergey Yu.; Khaikina, Elena G.","Cs~3~LiZn~2~(WO~4~)~4~ and Rb~3~Li~2~Ga(MoO~4~)~4~: different filled derivatives of the cation-deficient Cs~6~Zn~5~(MoO~4~)~8~ structure","Acta Crystallographica Section C","2017","73","11","946","952","10.1107/S205322961701378X","","","0.71073","MoKα","","0.0234","0.0217","","","0.056","0.0564","","","","","","1.07","","","","has coordinates,has Fobs","205315","2020-10-21","18:00:00",""
"2020925","12.519","0.003","12.594","0.003","19.975","0.004","80.12","0.03","89.69","0.03","68.02","0.03","2871.2","1.3","100","2","100","","","","","","","","","3","P -1","-P 1","2","","3-(2<i>H</i>-1,3-Benzodioxol-5-yl)-6-methoxy-8,8-dimethyl-4<i>H</i>,8<i>H</i>-pyrano[2,3-<i>h</i>]chromen-4-one‒ (2<i>E</i>)-1-(4-{[(2<i>E</i>)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one‒ethanol (2/1/0.13)","","- C69.27 H64.81 O16.14 -","- C69.2692 H64.8076 O16.1346 -","- C138.538 H129.615 O32.2692 -","2","1","QS3066","Vinokur, Anastasiya I.; White, Paul B.; Fotsing, Maurice Tagatsing; Arderne, Charmaine; Ndinteh, Derek Tantoh; Vestling, Martha M.; Guzei, Ilia A.","Deciphering composition and connectivity of a natural product with the assistance of MS and 2D NMR","Acta Crystallographica Section C","2017","73","11","994","1002","10.1107/S2053229617014966","","","0.71073","MoKα","","0.102","0.0572","","","0.1411","0.1646","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","205316","2020-10-21","18:00:00",""
"2020926","11.96","0.004","9.025","0.003","14.981","0.004","90","","96.768","0.006","90","","1605.8","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-(5-Bromo-2-hydroxybenzylidene)-6-hydroxy-8-methoxy-3,4-dihydrobenzo[<i>b</i>]oxepin-5(2<i>H</i>)-one","","- C18 H15 Br O5 -","- C18 H15 Br O5 -","- C72 H60 Br4 O20 -","4","1","SK3671","Li, Ning; Yao, Binrong; Wang, Chunhua; Meng, Qingguo; Hou, Guige","Synthesis, crystal structure and activity evaluation of novel 3,4-dihydro-1-benzoxepin-5(2<i>H</i>)-one derivatives as protein‒tyrosine kinase (PTK) inhibitors","Acta Crystallographica Section C","2017","73","11","1003","1009","10.1107/S2053229617015145","","","0.71073","MoKα","","0.0636","0.0383","","","0.0838","0.0941","","","","","","1.022","","","","has coordinates,has Fobs","205317","2020-10-21","18:00:00",""
"2020927","5.4784","0.0005","5.9139","0.0006","30.379","0.003","90","","92.54","0.007","90","","983.27","0.17","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sodium (4-fluorophenoxy)acetate dihydrate","Poly[μ-aqua-aqua-μ-[2-(4-fluorophenoxy)acetato]-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^-sodium]","","- C8 H10 F Na O5 -","- C8 H10 F Na O5 -","- C32 H40 F4 Na4 O20 -","4","1","CU3118","Smith, Graham","Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid","Acta Crystallographica Section C","2017","73","11","979","983","10.1107/S2053229617014103","","","0.71073","MoKα","","0.0916","0.0636","","","0.1273","0.1426","","","","","","1.087","","","","has coordinates,has Fobs","205318","2020-10-21","18:00:00",""
"2020928","18.3542","0.0015","6.9466","0.0008","6.5969","0.0005","90","","92.995","0.007","90","","839.95","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium (4-fluorophenoxy)acetate","Poly[μ~5~-[2-(4-fluorophenoxy)acetato]-κ^5^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^-potassium]","","- C8 H6 F K O3 -","- C8 H6 F K O3 -","- C32 H24 F4 K4 O12 -","4","1","CU3118","Smith, Graham","Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid","Acta Crystallographica Section C","2017","73","11","979","983","10.1107/S2053229617014103","","","0.71073","MoKα","","0.0961","0.0805","","","0.1911","0.1987","","","","","","1.204","","","","has coordinates,has Fobs","205318","2020-10-21","18:00:00",""
"2020929","18.0011","0.0016","7.1625","0.0004","6.8548","0.0004","90","","91.995","0.007","90","","883.27","0.11","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","rubidium (4-fluorophenoxy)acetate","Poly[μ~5~-[2-(4-fluorophenoxy)acetato]-κ^5^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^1'^-rubidium]","","- C8 H6 F O3 Rb -","- C8 H6 F O3 Rb -","- C32 H24 F4 O12 Rb4 -","4","1","CU3118","Smith, Graham","Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid","Acta Crystallographica Section C","2017","73","11","979","983","10.1107/S2053229617014103","","","0.71073","MoKα","","0.0731","0.0507","","","0.092","0.1009","","","","","","0.968","","","","has coordinates,has Fobs","205318","2020-10-21","18:00:00",""
"2020930","8.4981","0.0017","17.669","0.004","12.658","0.003","90","","100.95","0.03","90","","1866","0.7","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(3,5-dicarboxybenzene-1-carboxylato-κ<i>O</i>^1^)silver(I)]-μ-<i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']","","- C21 H15 Ag N2 O6 -","- C21 H15 Ag N2 O6 -","- C84 H60 Ag4 N8 O24 -","4","1","QS3065","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Construction and photocatalytic properties of two metal-mediated coordination polymers based on benzene-1,3,5-tricarboxylic acid and <i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene","Acta Crystallographica Section C","2017","73","11","1017","1023","10.1107/S2053229617013444","","","0.71073","MoKα","","0.0314","0.0267","","","0.0667","0.0692","","","","","","1.08","","","","has coordinates,has Fobs","205319","2020-10-21","18:00:00",""
"2020931","9.4176","0.0019","9.861","0.002","12.269","0.003","91.11","0.03","103.34","0.03","117.23","0.03","975.4","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~3~-5-carboxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3^)[μ-<i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^4^<i>N</i>:<i>N</i>']cadmium(II)] monohydrate]","","- C21 H16 Cd N2 O7 -","- C21 H16 Cd N2 O7 -","- C42 H32 Cd2 N4 O14 -","2","1","QS3065","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Construction and photocatalytic properties of two metal-mediated coordination polymers based on benzene-1,3,5-tricarboxylic acid and <i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene","Acta Crystallographica Section C","2017","73","11","1017","1023","10.1107/S2053229617013444","","","0.71073","MoKα","","0.0213","0.0202","","","0.0498","0.0508","","","","","","1.135","","","","has coordinates,has Fobs","205319","2020-10-21","18:00:00",""
"2020932","16.2905","0.0005","6.751","0.0002","18.9112","0.0006","90","","98.2024","0.0011","90","","2058.52","0.11","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine","","- C19 H35 N P2 -","- C19 H35 N P2 -","- C76 H140 N4 P8 -","4","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0429","0.0345","","","0.0889","0.0959","","","","","","1.023","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020933","8.2907","0.0001","10.7222","0.0002","13.6434","0.0002","87.0826","0.0006","80.8448","0.0006","75.7315","0.0006","1160.35","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine-κ^2^<i>P</i>,<i>N</i>}dichloridoiron(II)","","- C19 H35 Cl2 Fe N P2 -","- C19 H35 Cl2 Fe N P2 -","- C38 H70 Cl4 Fe2 N2 P4 -","2","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0282","0.0254","","","0.0673","0.0693","","","","","","1.047","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020934","8.2603","0.0002","10.722","0.0003","13.6314","0.0003","86.8728","0.001","80.5491","0.001","75.6607","0.001","1153.68","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine-κ^2^<i>P</i>,<i>N</i>}Dichloridocobalt(II)","","- C19 H35 Cl2 Co N P2 -","- C19 H35 Cl2 Co N P2 -","- C38 H70 Cl4 Co2 N2 P4 -","2","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0351","0.0292","","","0.0719","0.076","","","","","","1.036","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020935","10.6732","0.0005","15.6935","0.0008","15.1651","0.0007","90","","96.0732","0.0008","90","","2525.9","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2-[Bis(diisopropylphosphanyl)methyl]-6-methylpyridine-\ κ^2^<i>P</i>,<i>P</i>'}bromidotricarbonylmanganese(I)","","- C22 H35 Br Mn N O3 P2 -","- C22 H35 Br Mn N O3 P2 -","- C88 H140 Br4 Mn4 N4 O12 P8 -","4","1","OV3095","Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten","Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine","Acta Crystallographica Section C","2017","73","11","917","922","10.1107/S205322961701261X","","","0.71073","MoKα","","0.0277","0.025","","","0.0643","0.0661","","","","","","1.019","","","","has coordinates,has Fobs","205320","2020-10-21","18:00:00",""
"2020936","8.7119","0.0017","10.318","0.002","10.961","0.002","83.47","0.03","82.91","0.03","84.71","0.03","968.3","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Poly[μ-adipato-κ^2^<i>O</i>^1^:<i>O</i>^4^-μ-adipato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^-diaquabis[μ-1,4-bis(pyridin-4-yl)-1,3-butadiene-κ^2^<i>N</i>:<i>N</i>']dicadmium]","","- C20 H22 Cd N2 O5 -","- C20 H22 Cd N2 O5 -","- C40 H44 Cd2 N4 O10 -","2","1","YP3147","Hou, Yi-Xuan; Liu, Dong","A three-dimensional supramolecular framework based on the interlinkage of an interpenetrating diamondoid coordination network","Acta Crystallographica Section C","2017","73","11","869","873","10.1107/S2053229617013560","","","0.71073","MoKα","","0.0301","0.0284","","","0.075","0.0757","","","","","","1.16","","","","has coordinates,has Fobs","205321","2020-10-21","18:00:00",""
"2020937","10.264","0.002","12.066","0.003","13.382","0.003","98.7061","0.0014","110.591","0.0015","113.591","0.0016","1336.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-{<i>N</i>-[(Anthracen-9-yl)methyl]ethane-1,2-diamine}bis(pyridine-\ κ<i>N</i>)platinum(II) dinitrate","","- C27 H28 N6 O6 Pt -","- C27 H28 N6 O6 Pt -","- C54 H56 N12 O12 Pt2 -","2","1","QS3062","Kiwada, Tatsuto; Takayama, Hiroshi; Hirasaki, Aika; Ogawa, Kazuma; Odani, Akira","Asymmetric structure of <i>cis</i>-[<i>N</i>-(9-anthracenylmethyl)-1,2-ethanediamine]dipyridineplatinum(II) dinitrate","Acta Crystallographica Section C","2017","73","11","975","978","10.1107/S2053229617014255","","","0.7107","MoKα","","0.0228","0.0213","","","0.05","0.0503","","","","","","1.041","","","","has coordinates,has Fobs","205322","2020-10-21","18:00:00",""
"2020938","12.3459","0.0006","15.9301","0.0008","14.7454","0.0007","90","","90","","90","","2900","0.2","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Poly[[hexa-μ~2~-cyanido-κ^12^<i>C</i>:<i>N</i>-pentakis(μ~3~-tetrazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)cobalt(III)tetracopper(II)] monohydrate]","","- C11 H7 Co Cu4 N26 O -","- C11 H5 Co Cu4 N26 -","- C44 H20 Co4 Cu16 N104 -","4","0.5","LF3061","Qin, Ying-Lian; Qin, Jian-Fang; Sun, Hong","A novel tetrazolate- and cyanide-bridged three-dimensional heterometallic coordination polymer: crystal structure, thermal stability and magnetic properties","Acta Crystallographica Section C","2017","73","11","968","974","10.1107/S2053229617014760","","","0.71073","MoKα","","0.0709","0.0548","","","0.1628","0.1762","","","","","","1.12","","","","has coordinates,has Fobs","205323","2020-10-21","18:00:00",""
"2020939","8.8133","0.0019","11.8","0.003","15.404","0.003","96.363","0.005","93.886","0.005","105.518","0.005","1526.1","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","Cu monomer","Aqua(benzyldipicolylamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(trifluoromethanesulfonato-κ<i>O</i>)copper(II) tetrahydrofuran monosolvate","","- C25 H29 Cu F6 N3 O8 S2 -","- C25 H29 Cu F6 N3 O8 S2 -","- C50 H58 Cu2 F12 N6 O16 S4 -","2","1","FP3041","Sivanesan, Dharmalingam; Youn, Min Hye; Park, Ki Tae; Kim, Hak Joo; Grace, Andrews Nirmala; Jeong, Soon Kwan","Mono- and dinuclear Cu^II^ complexes of the benzyldipicolylamine (BDPA) ligand: crystal structure, synthesis and characterization","Acta Crystallographica Section C","2017","73","11","1024","1029","10.1107/S2053229617012785","","","0.71073","MoKα","","0.1262","0.0554","","","0.0913","0.1069","","","","","","0.725","","","","has coordinates","205324","2020-10-21","18:00:00",""
"2020940","8.8793","0.0005","10.5542","0.0006","14.162","0.0008","103.357","0.001","94.115","0.001","102.742","0.001","1248.9","0.12","273","2","273","2","","","","","","","","7","P -1","-P 1","2","Cu dimer","Bis(μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')bis[(benzyldipicolylamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(trifluoromethanesulfonato-κ<i>O</i>)copper(II)]","","- C42 H38 Cu2 F12 N6 O12 S4 -","- C42 H38 Cu2 F12 N6 O12 S4 -","- C42 H38 Cu2 F12 N6 O12 S4 -","1","0.5","FP3041","Sivanesan, Dharmalingam; Youn, Min Hye; Park, Ki Tae; Kim, Hak Joo; Grace, Andrews Nirmala; Jeong, Soon Kwan","Mono- and dinuclear Cu^II^ complexes of the benzyldipicolylamine (BDPA) ligand: crystal structure, synthesis and characterization","Acta Crystallographica Section C","2017","73","11","1024","1029","10.1107/S2053229617012785","","","0.71073","MoKα","","0.1293","0.0717","","","0.1595","0.2585","","","","","","1.161","","","","has coordinates","205324","2020-10-21","18:00:00",""
"2020941","12.231","0.006","3.919","0.002","17.968","0.009","90","","92.949","0.009","90","","860.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[amino(hydrazinyl)methylidene]azanium 5,5'-[1,2,4,5-tetrazine-3,6-diylbis(azanediyl)]bis(1<i>H</i>-1,2,3,4-tetrazol-1-ide) dihydrate","","- C6 H20 N22 O2 -","- C6 H20 N22 O2 -","- C12 H40 N44 O4 -","2","0.5","QS3063","Liu, Qing; Chen, Xiang; Cao, Wenli; Yang, Jin; Zhang, Wenhui; Ren, Yinghui; Ma, Haixia; Zhao, Fengqi; Hu, Rongzu","The synthesis, crystal structure and thermal properties of an energetic compound: the hydrated azanium salt of 3,6-bis[(1<i>H</i>-1,2,3,4-tetrazol-5-yl)amino]-1,2,4,5-tetrazine","Acta Crystallographica Section C","2017","73","11","941","945","10.1107/S2053229617014267","","","0.71073","MoKα","","0.0923","0.0574","","","0.1638","0.1817","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","205325","2020-10-21","18:00:00",""
"2311862","38.459","0.003","8.6208","0.0007","8.242","0.0007","90","","95.371","0.002","90","","2720.6","0.4","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Inositol Derivative","1,2-<i>O</i>-Cyclohexylidene-<i>myo</i>-inositol dihydrate","","- C12 H24 O8 -","- C12 H23 O8 -","- C96 H184 O64 -","8","1","QS3056","Purushothaman, Gayathri; Juvale, Kapil; Kirubakaran, Sivapriya; Vemula, Praveen Kumar; Thiruvenkatam, Vijay","Water-mediated intermolecular interactions in 1,2-O-cyclohexylidene-myo-inositol: a quantitative analysis.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","20","27","10.1107/S2053229616018581","","","0.71073","MoKα","","0.0916","0.0551","","","0.1104","0.1404","","","","","","1.241","","","","has coordinates","246144","2020-10-21","18:00:00",""
"2311863","15.1693","0.0006","6.7367","0.0002","12.9532","0.0004","90","","108.033","0.004","90","","1258.68","0.08","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","magnesium <i>p</i>-arsanilate decahydrate","Hexaaquamagnesium bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate","","- C12 H34 As2 Mg N2 O16 -","- C12 H34 As2 Mg N2 O16 -","- C24 H68 As4 Mg2 N4 O32 -","2","0.5","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.0343","0.0284","","","0.0679","0.0717","","","","","","1.117","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311864","9.001","0.005","9.672","0.005","11.756","0.005","77.096","0.005","74.096","0.005","82.236","0.005","956.4","0.8","200","1","200","1","","","","","","","","6","P -1","-P 1","2","calcium <i>p</i>-arsanilate tetrahydrate","<i>catena</i>-Poly[[[diaquacalcium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>']-[diaquacalcium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>]] dihydrate]","","- C12 H22 As2 Ca N2 O10 -","- C12 H22 As2 Ca N2 O10 -","- C24 H44 As4 Ca2 N4 O20 -","2","1","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.0386","0.031","","","0.0641","0.0682","","","","","","1.055","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311865","9.8935","0.0003","7.5844","0.0003","23.6669","0.0009","90","","97.866","0.003","90","","1759.17","0.11","200","1","200","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","strontium <i>p</i>-arsanilate trihydrate","<i>catena</i>-Poly[[triaquastrontium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>']]","","- C12 H20 As2 N2 O9 Sr -","- C12 H20 As2 N2 O9 Sr -","- C48 H80 As8 N8 O36 Sr4 -","4","0.5","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.025","0.0219","","","0.0502","0.0511","","","","","","1.087","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311866","9.9997","0.0008","7.7305","0.0006","23.979","0.002","90","","98.214","0.007","90","","1834.6","0.3","200","2","200","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","barium <i>p</i>-arsanilate trihydrate","<i>catena</i>-Poly[[triaquabarium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>']]","","- C12 H20 As2 Ba N2 O9 -","- C12 H20 As2 Ba N2 O9 -","- C48 H80 As8 Ba4 N8 O36 -","4","0.5","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.0259","0.0228","","","0.054","0.0549","","","","","","1.096","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311867","3.9329","0.0017","8.615","0.004","17.836","0.007","90","","90","","90","","604.3","0.5","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lithium chloride-pyridine solvate","<i>catena</i>-Poly[[(pyridine-κ<i>N</i>)lithium]-μ~3~-chlorido]","","- C5 H5 Cl Li N -","- C5 H5 Cl Li N -","- C20 H20 Cl4 Li4 N4 -","4","1","KY3111","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.0342","0.0293","","","0.0652","0.0672","","","","","","1.058","","","","has coordinates","246146","2020-10-21","18:00:00",""
"2311868","24.725","0.003","14.7026","0.0018","15.8325","0.0019","90","","90","","90","","5755.5","1.2","100","2","100.01","","","","","","","","","6","A e a 2","A 2 -2ab","41","","Tetrakis(4-ethenylpyridine-κ<i>N</i>)lithium(I) hexafluoridophosphate","","- C28 H28 F6 Li N4 P -","- C28 H28 F6 Li N4 P -","- C224 H224 F48 Li8 N32 P8 -","8","1","","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.0468","0.0383","","","0.0921","0.098","","","","","","1.067","","","","has coordinates,has disorder","246146","2020-10-21","18:00:00",""
"2311869","12.3857","0.0012","12.3857","0.0012","7.0065","0.001","90","","90","","90","","1074.8","0.2","123","2","123.09","","","","","","","","","6","I -4","I -4","82","Pyridine Lithium hexafluorophosphate solvate","Tetrakis(pyridine-κ<i>N</i>)lithium(I) hexafluoridophosphate","","- C20 H20 F6 Li N4 P -","- C20 H20 F6 Li N4 P -","- C40 H40 F12 Li2 N8 P2 -","2","0.25","","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.049","0.0488","","","0.1188","0.1193","","","","","","1.055","","","","has coordinates","246146","2020-10-21","18:00:00",""
"2311870","12.24","0.004","18.88","0.006","12.675","0.004","90","","105.864","0.006","90","","2817.5","1.6","178","2","178","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Vinylpyridine lithium chloride solvate","Di-μ-chlorido-bis[bis(4-ethenylpyridine-κ<i>N</i>)lithium]","","- C28 H28 Cl2 Li2 N4 -","- C28 H28 Cl2 Li2 N4 -","- C112 H112 Cl8 Li8 N16 -","4","1","","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.1288","0.0525","","","0.0937","0.117","","","","","","0.97","","","","has coordinates,has disorder","246146","2020-10-21","18:00:00",""
"2311871","9.2021","0.0017","10.2022","0.0016","16.532","0.003","74.49","0.006","78.452","0.006","76.849","0.006","1440.2","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","PLZ03102016","Methyl 8-[4-(1<i>H</i>-benzimidazol-2-yl)phenoxy]octanoate octan-1-ol monosolvate","","- C30 H44 N2 O4 -","- C30 H44 N2 O4 -","- C60 H88 N4 O8 -","2","1","EG3217","Geiger, H. Cristina; Zick, Patricia L.; Roberts, William R.; Geiger, David K.","Synthesis and characterization of a novel long-alkyl-chain ester-substituted benzimidazole gelator and its octan-1-ol solvate.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 4","350","356","10.1107/S2053229617004314","","","0.71073","MoKa","","0.0664","0.0456","","","0.1143","0.128","","","","","","1.031","","","","has coordinates,has disorder","246147","2020-10-21","18:00:00",""
"2311872","15.26","0.003","11.75","0.002","10.334","0.002","90","","99.04","0.03","90","","1829.9","0.6","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[chlorido[μ~3~-(pyridin-1-ium-3-yl)phosphonato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']zinc(II)]","","- C5 H5 Cl N O3 P Zn -","- C5 H5 Cl N O3 P Zn -","- C40 H40 Cl8 N8 O24 P8 Zn8 -","8","1","LY3044","Wilk-Kozubek, Magdalena; Jarzembska, Katarzyna N.; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis, structural characterization and computational studies of catena-poly[chlorido[μ<sub>3</sub>-(pyridin-1-ium-3-yl)phosphonato-κ<sup>3</sup>O:O':O'']zinc(II)].","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","363","368","10.1107/S2053229617004478","","","0.71073","MoKα","","0.0673","0.0348","","","0.0645","0.0713","","","","","","1.002","","","","has coordinates","246148","2020-10-21","18:00:00",""
"2311873","28.73","0.006","7.5129","0.0015","12.476","0.003","90","","111.97","0.03","90","","2497.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazolato-\ κ^2^<i>N</i>^1^,<i>N</i>^5^]zinc(II)","","- C28 H24 N8 O Zn -","- C28 H24 N8 O Zn -","- C112 H96 N32 O4 Zn4 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.1026","0.0615","","","0.1276","0.1451","","","","","","1.004","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311874","16.869","0.003","12.488","0.003","14.626","0.003","90","","114.98","0.03","90","","2792.9","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-\ triazole-κ^2^<i>N</i>^3^,<i>N</i>^4^]bis(nitrato-κO)zinc(II)","","- C28 H24 N10 O6 Zn -","- C28 H24 N10 O6 Zn -","- C112 H96 N40 O24 Zn4 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0313","0.028","","","0.0724","0.074","","","","","","1.041","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311875","12.297","0.003","12.663","0.003","9.99","0.002","90","","111.58","0.03","90","","1446.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(methanol-κO)bis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-\ triazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]zinc(II)","","- C30 H30 N8 O2 Zn -","- C30 H30 N8 O2 Zn -","- C60 H60 N16 O4 Zn2 -","2","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0829","0.0417","","","0.0911","0.1125","","","","","","0.99","","","","has coordinates,has disorder","246149","2020-10-21","18:00:00",""
"2311876","18.848","0.004","11.254","0.002","15.707","0.003","90","","119.44","0.03","90","","2901.5","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diiodidobis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-\ triazole-κ^2^<i>N</i>^3^,<i>N</i>^4^]cadmium(II)","","- C28 H24 Cd I2 N8 -","- C28 H24 Cd I2 N8 -","- C112 H96 Cd4 I8 N32 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0415","0.0402","","","0.1009","0.102","","","","","","1.096","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311877","17.113","0.003","12.603","0.003","14.708","0.003","90","","115.8","0.03","90","","2855.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-\ triazole-κ^2^<i>N</i>^3^,<i>N</i>^4^]bis(nitrato-κ<i>O</i>)cadmium(II)","","- C28 H24 Cd N10 O6 -","- C28 H24 Cd N10 O6 -","- C112 H96 Cd4 N40 O24 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0331","0.03","","","0.0672","0.0684","","","","","","1.065","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311878","28.735","0.006","7.4617","0.0015","12.421","0.003","90","","111.79","0.03","90","","2472.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]cobalt(II)","","- C28 H24 Co N8 O -","- C28 H24 Co N8 O -","- C112 H96 Co4 N32 O4 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0355","0.0285","","","0.0676","0.071","","","","","","1.068","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311879","26.778","0.005","7.4858","0.0015","12.472","0.003","90","","92.91","0.03","90","","2496.8","0.9","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Diaquabis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazolato-\ κ^2^<i>N</i>^1^,<i>N</i>^5^]nickel(II)","","- C28 H26 N8 Ni O2 -","- C28 H26 N8 Ni O2 -","- C112 H104 N32 Ni4 O8 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0266","0.0241","","","0.0662","0.0673","","","","","","1.071","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2311880","10.6203","0.0012","11.8441","0.0013","12.3126","0.0013","99.255","0.006","100.973","0.005","111.584","0.005","1367.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(3-Ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide","","- C31 H28 Fe I P -","- C31 H28 Fe I P -","- C62 H56 Fe2 I2 P2 -","2","1","KU3195","Bouchene, Rafika; Daran, Jean Claude; Merazig, Hocine; Manoury, Eric; Bouacida, Sofiane","Selective synthesis of (3-ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide: crystal structure determination of two polymorphs.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","376","381","10.1107/S2053229617004867","","","0.71073","MoKα","","0.0438","0.0331","","","0.0681","0.0776","","","","","","1.153","","","","has coordinates","246150","2020-10-21","18:00:00",""
"2311881","10.109","0.0016","10.6299","0.0015","25.148","0.004","90","","102.868","0.007","90","","2634.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-Ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide","","- C31 H28 Fe I P -","- C31 H28 Fe I P -","- C124 H112 Fe4 I4 P4 -","4","1","KU3195","Bouchene, Rafika; Daran, Jean Claude; Merazig, Hocine; Manoury, Eric; Bouacida, Sofiane","Selective synthesis of (3-ferrocenylprop-2-en-1-yl)triphenylphosphonium iodide: crystal structure determination of two polymorphs.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","376","381","10.1107/S2053229617004867","","","0.71073","MoKα","","0.0471","0.0269","","","0.0445","0.0489","","","","","","1.007","","","","has coordinates,has disorder","246150","2020-10-21","18:00:00",""
"2311882","8.9262","0.0009","9.9679","0.001","14.9683","0.0013","90","","101.825","0.01","90","","1303.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4-aminopyridine-κ<i>N</i>^1^)dichloridocobalt(II)","","- C10 H12 Cl2 Co N4 -","- C10 H12 Cl1.954 Co0.973 N4 -","- C40 H48 Cl7.816 Co3.892 N16 -","4","0.5","YO3026","Sanchez Montilva, Olga Carolina; Movilla, Federico; Rodriguez, Maricel Gabriela; Di Salvo, Florencia","Synthesis, crystal structure and study of the crystal packing in the complex bis(4-aminopyridine-κN<sup>1</sup>)dichloridocobalt(II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","399","406","10.1107/S2053229617004880","","","0.71073","MoKα","","0.1316","0.0616","","","0.1087","0.1432","","","","","","1.009","","","","has coordinates,has disorder","246151","2020-10-21","18:00:00",""
"2311883","10.5788","0.0011","6.2806","0.0005","15.8478","0.0019","90","","105.272","0.012","90","","1015.76","0.19","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(3-{[(3-hydroxypropyl)imino]methyl}-4-nitrophenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)","","- C20 H22 Cu N4 O8 -","- C20 H22 Cu N4 O8 -","- C40 H44 Cu2 N8 O16 -","2","0.5","LF3053","Kocak, Cagdas; Oylumluoglu, Gorkem; Donmez, Adem; Coban, M. Burak; Erkarslan, Ugur; Aygun, Muhittin; Kara, Hulya","Crystal structure and photoluminescence properties of a new monomeric copper(II) complex: bis(3-{[(3-hydroxypropyl)imino]methyl}-4-nitrophenolato-κ<sup>3</sup>O,N,O')copper(II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","414","419","10.1107/S2053229617005976","","","0.71073","MoKα","","0.0943","0.0556","","","0.1017","0.1203","","","","","","1.027","","","","has coordinates","246152","2020-10-21","18:00:00",""
"2311884","4.7443","0.0003","39.332","0.002","6.7618","0.0004","90","","100.99","0.003","90","","1238.63","0.13","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-benzylnicotinamide","3-Aminocarbonyl-1-benzylpyridinium bromide","","- C13 H13 Br N2 O -","- C13 H13 Br N2 O -","- C52 H52 Br4 N8 O4 -","4","1","SK3659","Moore, John M.; Hall, Jasmine M.; Dilling, Wendell L.; Jensen, Anton W.; Squattrito, Philip J.; Giolando, Patrick; Kirschbaum, Kristin","N-Benzylnicotinamide and N-benzyl-1,4-dihydronicotinamide: useful models for NAD<sup>+</sup> and NADH.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 7","531","535","10.1107/S2053229617008877","","","1.54178","CuKα","","0.0386","0.0377","","","0.0868","0.0873","","","","","","1.255","","","","has coordinates","246153","2020-10-21","18:00:00",""
"2311885","12.0186","0.0008","5.7435","0.0004","16.1124","0.0011","90","","94.474","0.001","90","","1108.83","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-benzyl-1,4-dihydronicotinamide","1-Benzyl-1,4-dihydropyridine-3-carboxamide","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C52 H56 N8 O4 -","4","1","SK3659","Moore, John M.; Hall, Jasmine M.; Dilling, Wendell L.; Jensen, Anton W.; Squattrito, Philip J.; Giolando, Patrick; Kirschbaum, Kristin","N-Benzylnicotinamide and N-benzyl-1,4-dihydronicotinamide: useful models for NAD<sup>+</sup> and NADH.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 7","531","535","10.1107/S2053229617008877","","","0.71073","MoKα","","0.0505","0.0436","","","0.1117","0.1179","","","","","","1.05","","","","has coordinates","246153","2020-10-21","18:00:00",""
"2311886","4.869","0.001","11.071","0.002","15.807","0.003","90","","90","","90","","852.1","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","aluminium dihydrogen arsenate dihydrogen diarsenate","Aluminium [dihydrogen arsenate(V)] dihydrogen diarsenate(V)","","- Al As3 H4 O11 -","- Al As3 H4 O11 -","- Al4 As12 H16 O44 -","4","0.5","LY3048","Schwendtner, Karolina; Kolitsch, Uwe","M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 8","600","608","10.1107/S2053229617009676","","","0.71073","MoKα","","0.041","0.0276","","","0.0587","0.0623","","","","","","1.097","","","","has coordinates","246154","2020-10-21","18:00:00",""
"2311887","4.916","0.001","11.213","0.002","15.853","0.003","90","","90","","90","","873.9","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","gallium dihydrogen arsenate dihydrogen diarsenate","Gallium dihydrogen arsenate(V) dihydrogen diarsenate(V)","","- As3 Ga H4 O11 -","- As3 Ga H3 O11 -","- As12 Ga4 H12 O44 -","4","0.5","LY3048","Schwendtner, Karolina; Kolitsch, Uwe","M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 8","600","608","10.1107/S2053229617009676","","","0.71073","MoKα","","0.0364","0.0309","","","0.0794","0.0818","","","","","","1.14","","","","has coordinates","246154","2020-10-21","18:00:00",""
"2311888","12.487","0.002","11.529","0.002","12.553","0.003","90","","101.4","0.03","90","","1771.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","indum dihydrogen arsenate dihydrogen diarsenate","Diindium bis[dihydrogen arsenate(V)] bis[dihydrogen diarsenate(V)]","","- As6 H8 In2 O22 -","- As6 H5 In2 O22 -","- As24 H20 In8 O88 -","4","1","LY3048","Schwendtner, Karolina; Kolitsch, Uwe","M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 8","600","608","10.1107/S2053229617009676","","","0.71073","MoKα","","0.0422","0.0338","","","0.0698","0.0718","","","","","","1.222","","","","has coordinates","246154","2020-10-21","18:00:00",""
"2311889","12.363","0.0004","12.6281","0.0005","16.3765","0.0006","89.948","0.003","95.46","0.003","96.455","0.003","2528.86","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetra-<i>n</i>-butylammonium) diaquabis(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(II) 1.8-hydrate","","- C42 H83.6 Co N6 O11.8 -","- C42 H80 Co N6 O11.8 -","- C84 H160 Co2 N12 O23.6 -","2","1","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.1078","0.0469","","","0.0951","0.1034","","","","","","1.033","","","","has coordinates,has disorder","246155","2020-10-21","18:00:00",""
"2311890","13.1679","0.0012","9.3413","0.0009","16.3388","0.0014","90","","102.669","0.009","90","","1960.8","0.3","277","1","277","1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","0.5","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.1107","0.0549","","","0.1019","0.11","","","","","","1.021","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311891","12.9054","0.0008","9.3791","0.0008","16.129","0.0012","88.724","0.006","102.898","0.006","88.528","0.006","1901.6","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H48 Co N7 O11 -","- C72 H96 Co2 N14 O22 -","2","1","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.1377","0.0949","","","0.2251","0.2481","","","","","","1.439","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311892","13.0259","0.0004","9.3504","0.0003","16.3308","0.0005","90","","103.847","0.003","90","","1931.24","0.11","220","1","220","1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","0.5","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.0587","0.048","","","0.1255","0.1294","","","","","","1.07","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311893","13.008","0.0008","9.332","0.0006","16.3753","0.0012","90","","104.364","0.007","90","","1925.7","0.2","170","1","170","1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","0.5","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.0847","0.0664","","","0.153","0.1646","","","","","","1.075","","","","has coordinates,has disorder","246155","2020-10-21","18:00:00",""
"2311894","13.0155","0.0015","9.4028","0.0014","16.264","0.0017","88.794","0.011","103.054","0.009","88.687","0.011","1937.8","0.4","170","1","170","1","","","","","","","","5","P -1","-P 1","2","","Tetra-<i>n</i>-butylammonium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2,4-dioxo-1,2,3,4-\ tetrahydropyrimidin-1-ide-6-carboxylato-κ<i>N</i>^1^)cobalt(III) trihydrate","","- C36 H54 Co N7 O11 -","- C36 H54 Co N7 O11 -","- C72 H108 Co2 N14 O22 -","2","1","SK3662","Castro, Miguel; Falvello, Larry R.; Forcén-Vázquez, Elena; Guerra, Pablo; Al-Kenany, Nuha A; Martínez, Gema; Tomás, Milagros","A phase transition caught in mid-course: independent and concomitant analyses of the monoclinic and triclinic structures of (<sup>n</sup>Bu<sub>4</sub>N)[Co(orotate)<sub>2</sub>(bipy)]·3H<sub>2</sub>O.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","731","742","10.1107/S2053229617010841","","","0.71073","MoKα","","0.0712","0.0617","","","0.1549","0.1608","","","","","","1.052","","","","has coordinates","246155","2020-10-21","18:00:00",""
"2311895","13.3664","0.0015","13.3664","0.0015","5.964","0.0009","90","","90","","120","","922.8","0.2","296","2","296","2","","","","","","","","2","R -3 :H","-R 3","148","","Triyttrium tetragold","","- Au4 Y3 -","- Au4 Y3 -","- Au24 Y18 -","6","0.333333","WQ3137","Celania, Chris; Smetana, Volodymyr; Mudring, Anja Verena","Crystal structures and new perspectives on Y<sub>3</sub>Au<sub>4</sub> and Y<sub>14</sub>Au<sub>51</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","692","696","10.1107/S2053229617011068","","","0.71073","MoKα","","0.0661","0.0471","","","0.0883","0.094","","","","","","1.036","","","","has coordinates","246156","2020-10-21","18:00:00",""
"2311896","12.5433","0.0017","12.5433","0.0017","9.1389","0.0014","90","","90","","120","","1245.2","0.3","293","2","293","2","","","","","","","","2","P 6/m","-P 6","175","","Tetradecayttrium henpentacontagold","","- Au51 Y14 -","- Au51 Y14 -","- Au51 Y14 -","1","0.0833333","WQ3137","Celania, Chris; Smetana, Volodymyr; Mudring, Anja Verena","Crystal structures and new perspectives on Y<sub>3</sub>Au<sub>4</sub> and Y<sub>14</sub>Au<sub>51</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","692","696","10.1107/S2053229617011068","","","0.71073","MoKα","","0.027","0.0223","","","0.0418","0.0437","","","","","","1.128","","","","has coordinates","246156","2020-10-21","18:00:00",""
"2311897","4.9221","0.0001","8.4974","0.0002","24.1323","0.0007","90","","91.61","0.001","90","","1008.94","0.04","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-[(2,2-Difluoroethoxy)methyl]pyridinium iodide","","- C8 H10 F2 I N O -","- C8 H10 F2 I N O -","- C32 H40 F8 I4 N4 O4 -","4","1","KU3200","Lu, Norman; Wei, Rong Jyun; Chiang, Hsing Fang; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Weak hydrogen and halogen bonding in 4-[(2,2-difluoroethoxy)methyl]pyridinium iodide and 4-[(3-chloro-2,2,3,3-tetrafluoropropoxy)methyl]pyridinium iodide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","682","687","10.1107/S2053229617011172","","","0.71073","MoKα","","0.0144","0.0141","","","0.0288","0.0289","","","","","","1.284","","","","has coordinates","246157","2020-10-21","18:00:00",""
"2311898","5.3299","0.0002","27.5016","0.0007","8.3227","0.0002","90","","91.813","0.002","90","","1219.34","0.06","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","4-[(3-Chloro-2,2,3,3-tetrafluoropropoxy)methyl]pyridinium iodide","","- C9 H9 Cl F4 I N O -","- C9 H9 Cl F4 I N O -","- C36 H36 Cl4 F16 I4 N4 O4 -","4","1","KU3200","Lu, Norman; Wei, Rong Jyun; Chiang, Hsing Fang; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Weak hydrogen and halogen bonding in 4-[(2,2-difluoroethoxy)methyl]pyridinium iodide and 4-[(3-chloro-2,2,3,3-tetrafluoropropoxy)methyl]pyridinium iodide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","682","687","10.1107/S2053229617011172","","","0.71073","MoKα","","0.0184","0.0179","","","0.0368","0.037","","","","","","1.199","","","","has coordinates","246157","2020-10-21","18:00:00",""
"2311899","5.9758","0.0005","36.456","0.003","24.363","0.002","90","","91.997","0.003","90","","5304.3","0.8","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","Ferrocenecarboxylic anhydride","","- C22 H18 Fe2 O3 -","- C22 H18 Fe2 O3 -","- C264 H216 Fe24 O36 -","12","3","YF3122","Tazi, Mehdi; Roisnel, Thierry; Mongin, Florence; Erb, William","Ferrocenecarboxylic anhydride: identification of a new polymorph.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","760","766","10.1107/S205322961701124X","","","0.71073","MoKα","","0.0509","0.049","","","0.1181","0.1189","","","","","","1.106","","","","has coordinates","246158","2020-10-21","18:00:00",""
"2311900","7.8161","0.0002","11.3126","0.0003","12.2248","0.0003","116.339","0.0012","99.6342","0.0014","98.3722","0.0013","925","0.04","123","","123","","","","","","","","","7","P -1","-P 1","2","","Di-μ-bromido-bis({η^3^-[4-(dimethylamino)pyridinium-1-yl]cycloheptatrienido}palladium(II)) bis(tetrafluoroborate) acetonitrile disolvate","","- C32 H38 B2 Br2 F8 N6 Pd2 -","- C32 H38 B2 Br2 F8 N6 Pd2 -","- C32 H38 B2 Br2 F8 N6 Pd2 -","1","0.5","EG3226","Jandl, C.; Stegbauer, S.; Pöthig, A","A halide-free pyridinium-substituted η<sup>3</sup>-cycloheptatrienide-Pd complex.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","754","759","10.1107/S2053229617012244","","","0.71073","MoKα","","0.0262","0.0235","","","0.0601","0.0616","","","","","","1.052","","","","has coordinates,has disorder","246160","2020-10-21","18:00:00",""
"2311901","20.361","0.003","8.9068","0.0011","24.876","0.003","90","","95.035","0.005","90","","4493.9","1","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diacetonitrile{η^3^-[4-(dimethylamino)pyridinium-1-yl]cycloheptatrienido}\ palladium(II) bis(tetrafluoroborate)","","- C18 H22 Br2 F8 N4 Pd -","- C18 H22 B1.9995 F7.998 N4 Pd -","- C144 H176 B15.996 F63.984 N32 Pd8 -","8","2","EG3226","Jandl, C.; Stegbauer, S.; Pöthig, A","A halide-free pyridinium-substituted η<sup>3</sup>-cycloheptatrienide-Pd complex.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 9","754","759","10.1107/S2053229617012244","","","0.71073","MoKα","","0.0236","0.0224","","","0.0582","0.0591","","","","","","1.054","","","","has coordinates,has disorder","246160","2020-10-21","18:00:00",""
"2311902","12.5854","0.001","10.0901","0.0007","19.8568","0.0016","90","","90","","90","","2521.6","0.3","293.15","0.02","293.15","0.02","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-Diaminopyridine‒piracetam (1/1)","2,6-Diaminopyridine‒2-(2-oxopyrrolidin-1-yl)acetamide (1/1)","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C88 H136 N40 O16 -","8","1","FN3239","Durán-Palma, Melissa Hidekel; Mendoza-Barraza, Sonia Sanet; Magaña-Vergara, Nancy Evelyn; Martínez-Martínez, Francisco Javier; González-González, Juan Saulo","Crystal structure of pharmaceutical cocrystals of 2,6-diaminopyridine with piracetam and theophylline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","767","772","10.1107/S205322961701230X","","","0.71073","MoKα","","0.0619","0.0561","","","0.13","0.136","","","","","","1.191","","","","has coordinates","246161","2020-10-21","18:00:00",""
"2311903","9.5439","0.0003","15.6588","0.0005","9.4887","0.0003","90","","109.927","0.001","90","","1333.15","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-Diaminopyridine‒theophylline (1/1)","2,6-Diaminopyridine‒1,3-dimethyl-7<i>H</i>-purine-2,6-dione (1/1)","","- C12 H15 N7 O2 -","- C12 H15 N7 O2 -","- C48 H60 N28 O8 -","4","1","FN3239","Durán-Palma, Melissa Hidekel; Mendoza-Barraza, Sonia Sanet; Magaña-Vergara, Nancy Evelyn; Martínez-Martínez, Francisco Javier; González-González, Juan Saulo","Crystal structure of pharmaceutical cocrystals of 2,6-diaminopyridine with piracetam and theophylline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","767","772","10.1107/S205322961701230X","","","0.71073","MoKα","","0.0396","0.0377","","","0.1059","0.1079","","","","","","1.052","","","","has coordinates","246161","2020-10-21","18:00:00",""
"2311904","15.0609","0.0002","5.0408","0.0001","16.0954","0.0002","90","","112.72","","90","","1127.13","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O3 S2 -","- C10 H9 N3 O3 S2 -","- C40 H36 N12 O12 S8 -","4","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0235","0.0231","","","0.061","0.0613","","","","","","1.056","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311905","5.0506","0.0002","8.0441","0.0003","14.1954","0.0005","96.877","0.001","95.134","0.002","96.306","0.001","566.02","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 N3 O3 S2 -","- C10 H9 N3 O3 S2 -","- C20 H18 N6 O6 S4 -","2","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0265","0.0263","","","0.0717","0.072","","","","","","1.088","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311906","7.8582","0.0006","6.1279","0.0004","24.4164","0.0017","90","","98.211","0.002","90","","1163.7","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O3 S2 -","- C10 H9 N3 O3 S2 -","- C40 H36 N12 O12 S8 -","4","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0345","0.0344","","","0.0991","0.0991","","","","","","1.14","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311907","7.3654","0.0003","6.455","0.0002","25.8911","0.0009","90","","90.808","0.001","90","","1230.84","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N3 O4 S2 -","- C10 H11 N3 O4 S2 -","- C40 H44 N12 O16 S8 -","4","1","FN3245","Szczesio, Małgorzata; Olczak, Andrzej; Gobis, Katarzyna; Główka, Marek L","Planarity of benzoylthiocarbazate tuberculostatics. IV. Polymorphs of N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","797","802","10.1107/S2053229617012566","","","1.54178","CuKα","","0.0261","0.0259","","","0.0684","0.0686","","","","","","1.08","","","","has coordinates","246162","2020-10-21","18:00:00",""
"2311908","12.014","0.0008","13.8692","0.0009","15.7804","0.001","84.797","0.001","89.778","0.001","74.914","0.001","2527.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato)-1κ<i>O</i>,2κ<i>O</i>-(1,2-dimethoxyethane-1κ^2^<i>O</i>,<i>O</i>')bis(μ-phenylmethanolato-1:2κ^2^<i>O</i>:<i>O</i>)(tetrahydrofuran-2κ<i>O</i>)dimagnesium(II)","","- C52 H78 Mg2 O7 -","- C52 H78 Mg2 O7 -","- C104 H156 Mg4 O14 -","2","1","KY3130","Minyaev, Mikhail E.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Structural diversity of polynuclear Mg<sub>x</sub>O<sub>y</sub> cores in magnesium phenoxide complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","854","861","10.1107/S2053229617012657","","","0.71073","MoKα","","0.0641","0.0435","","","0.1049","0.1154","","","","","","1.025","","","","has coordinates,has disorder","246163","2020-10-21","18:00:00",""
"2311909","23.1969","0.0017","11.2068","0.0008","24.388","0.0017","90","","100.344","0.001","90","","6236.9","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato)-1κ<i>O</i>,3κ<i>O</i>- tetrakis(μ-2-methylphenolato)-1:2κ^4^<i>O</i>:<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>-bis(tetrahydrofuran)-1κ<i>O</i>,3κ<i>O</i>-trimagnesium(II)","","- C66 H90 Mg3 O8 -","- C66 H90 Mg3 O8 -","- C264 H360 Mg12 O32 -","4","0.5","","Minyaev, Mikhail E.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Structural diversity of polynuclear Mg<sub>x</sub>O<sub>y</sub> cores in magnesium phenoxide complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","854","861","10.1107/S2053229617012657","","","0.71073","MoKα","","0.07","0.0489","","","0.1302","0.1439","","","","","","1.024","","","","has coordinates,has disorder","246163","2020-10-21","18:00:00",""
"2311910","8.959","0.0005","20.4643","0.0011","13.5552","0.0007","90","","94.318","0.0008","90","","2478.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ~3~-2-aminoethanolato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>,<i>N</i>)tetrakis(μ~2~-2-aminoethanolato-κ^3^<i>O</i>:<i>O</i>,<i>N</i>)bis(2,6-di-<i>tert</i>-butyl-4-methylphenolatoκ<i>O</i>)tetramagnesium(II)","","- C42 H82 Mg4 N6 O8 -","- C42 H82 Mg4 N6 O8 -","- C84 H164 Mg8 N12 O16 -","2","0.5","","Minyaev, Mikhail E.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Structural diversity of polynuclear Mg<sub>x</sub>O<sub>y</sub> cores in magnesium phenoxide complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","854","861","10.1107/S2053229617012657","","","0.71073","MoKα","","0.0495","0.0376","","","0.103","0.1109","","","","","","1.035","","","","has coordinates","246163","2020-10-21","18:00:00",""
"2311911","26.6774","0.0016","26.6774","0.0016","10.3451","0.0006","90","","90","","120","","6376.1","0.7","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","1-ethynyl-2-nitro-4,5-dipropoxybenzene","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C252 H306 N18 O72 -","18","1","FN3243","Oburn, Shalisa M.; Bosch, Eric","Unexpected beauty and diversity in the structures of three homologous 4,5-dialkoxy-1-ethynyl-2-nitrobenzenes: the subtle interplay between intermolecular C-H...O hydrogen bonds and alkyl chain length.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","814","819","10.1107/S2053229617012761","","","0.71073","MoKα","","0.0611","0.0468","","","0.1265","0.1381","","","","","","1.055","","","","has coordinates","246164","2020-10-21","18:00:00",""
"2311912","8.5209","0.0005","18.0914","0.001","9.9579","0.0005","90","","97.967","0.001","90","","1520.24","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-dibutoxy-4-ethynyl-5-nitrobenzene","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Oburn, Shalisa M.; Bosch, Eric","Unexpected beauty and diversity in the structures of three homologous 4,5-dialkoxy-1-ethynyl-2-nitrobenzenes: the subtle interplay between intermolecular C-H...O hydrogen bonds and alkyl chain length.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","814","819","10.1107/S2053229617012761","","","0.71073","MoKα","","0.0665","0.0413","","","0.0922","0.1029","","","","","","1.022","","","","has coordinates","246164","2020-10-21","18:00:00",""
"2311913","4.57","0.004","9.415","0.008","20.968","0.018","94.003","0.012","90.758","0.012","93.435","0.011","898.2","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1-ethynyl-2-nitro-4,5-bis-pentoxybenzene","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Oburn, Shalisa M.; Bosch, Eric","Unexpected beauty and diversity in the structures of three homologous 4,5-dialkoxy-1-ethynyl-2-nitrobenzenes: the subtle interplay between intermolecular C-H...O hydrogen bonds and alkyl chain length.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","814","819","10.1107/S2053229617012761","","","0.71073","MoKα","","0.1465","0.0852","","","0.2308","0.2621","","","","","","1.03","","","","has coordinates","246164","2020-10-21","18:00:00",""
"2311914","8.4533","0.0002","10.238","0.0003","10.2552","0.0002","90","","107.881","0.001","90","","844.66","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","ethyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C36 H46 N2 O8 -","2","1","CU3117","Maia, Angélica Faleiros da Silva; Martins, Felipe T.; Silva Neto, Leonardo da; Alves, Rosemeire Brondi; De Fátima, Ângelo","Cocaethylene, the in vivo product of cocaine and ethanol, is a narcotic more potent than its precursors.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","780","783","10.1107/S2053229617012852","","","1.54178","CuKα","","0.0374","0.0358","","","","0.1011","","","","","","1.027","","","","has coordinates","246165","2020-10-21","18:00:00",""
"2311915","16.9491","0.0005","12.3954","0.0004","30.5023","0.0009","90","","105.11","0.0004","90","","6186.7","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]chloridotetrakis(methanol-κ<i>O</i>)neodymium methanol disolvate","","- C54 H92 Cl Nd O14 P2 -","- C54 H92 Cl Nd O14 P2 -","- C216 H368 Cl4 Nd4 O56 P8 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0403","0.0343","","","0.0845","0.0875","","","","","","1.056","","","","has coordinates","246166","2020-10-21","18:00:00",""
"2311916","16.877","0.002","12.443","0.0017","30.404","0.004","90","","104.231","0.002","90","","6188.9","1.4","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]chloridotetrakis(methanol-κ<i>O</i>)lutetium methanol disolvate","","- C54 H92 Cl Lu O14 P2 -","- C54 H92 Cl Lu O14 P2 -","- C216 H368 Cl4 Lu4 O56 P8 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0279","0.0249","","","0.0592","0.0604","","","","","","1.048","","","","has coordinates","246166","2020-10-21","18:00:00",""
"2311917","16.9203","0.0005","12.3877","0.0004","30.3676","0.001","90","","104.708","0.001","90","","6156.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]chloridotetrakis(methanol-κ<i>O</i>)yttrium methanol disolvate","","- C54 H92 Cl O14 P2 Y -","- C54 H92 Cl O14 P2 Y -","- C216 H368 Cl4 O56 P8 Y4 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0602","0.039","","","0.0883","0.0954","","","","","","1.017","","","","has coordinates","246166","2020-10-21","18:00:00",""
"2311918","16.7581","0.0011","12.5821","0.0009","30.732","0.002","90","","104.876","0.001","90","","6262.7","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]tetrakis(methanol-κ<i>O</i>)(nitrato-κ<i>O</i>)neodymium methanol disolvate","","- C54 H92 N Nd O17 P2 -","- C54 H92 N Nd O17 P2 -","- C216 H368 N4 Nd4 O68 P8 -","4","0.5","UK3140","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.","Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","820","827","10.1107/S2053229617012979","","","0.71073","MoKα","","0.0611","0.0438","","","0.0953","0.1014","","","","","","1.075","","","","has coordinates,has disorder","246166","2020-10-21","18:00:00",""
"2311919","7.811","0.004","17.951","0.009","11.405","0.006","90","","92.36","0.02","90","","1597.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-[Benzyl(methyl)amino]-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0462","0.0396","","","0.0975","0.1015","","","","","","1.086","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311920","31.172","0.016","10.039","0.006","17.861","0.01","90","","123.334","0.014","90","","4670","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-3-{5-[Benzyl(methyl)amino]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl}-1-(4-bromophenyl)prop-2-en-1-one","","- C27 H24 Br N3 O -","- C27 H24 Br N3 O -","- C216 H192 Br8 N24 O8 -","8","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0754","0.0455","","","0.0957","0.1113","","","","","","1.013","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311921","11.321","0.005","21.572","0.013","9.55","0.005","90","","97.711","0.018","90","","2311","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>RS</i>)-5'-[Benzyl(methyl)amino]-3'-methyl-1',5-diphenyl-3,4-dihydro-1'<i>H</i>,2<i>H</i>-[3,4'-bipyrazole]-2-carbaldehyde","","- C28 H27 N5 O -","- C28 H27 N5 O -","- C112 H108 N20 O4 -","4","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0482","0.0398","","","0.0941","0.0991","","","","","","1.063","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311922","9.363","0.006","28.238","0.018","10.775","0.007","90","","97.04","0.02","90","","2827","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3<i>RS</i>)-2-acetyl-5'-[Benzyl(methyl)amino]- 5-(4-methoxyphenyl)-3'-methyl-1'-phenyl-3,4-dihydro-1'<i>H</i>,2<i>H</i>-[3,4'-bipyrazole] ethanol 0.945-solvate","","- C31.89 H36.67 N5 O2.95 -","- C31.89 H36.67 N5 O2.945 -","- C127.56 H146.68 N20 O11.78 -","4","1","SK3669","Cuartas, Viviana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Reduced 3,4'-bipyrazoles from a simple pyrazole precursor: synthetic sequence, molecular structures and supramolecular assembly.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","784","790","10.1107/S205322961701302X","","","0.71073","MoKα","","0.0542","0.0423","","","0.098","0.1041","","","","","","1.078","","","","has coordinates","246167","2020-10-21","18:00:00",""
"2311923","8.6692","0.0017","21.933","0.004","11.12","0.002","90","","110.77","0.03","90","","1977","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[aqua(μ-benzene-1,2-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^,<i>O</i>^2'^)[μ-2-(1<i>H</i>-imidazol-1-ylmethyl)-6-methyl-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^:<i>N</i>^3^]cadmium(II)]","","- C20 H18 Cd N4 O5 -","- C20 H18 Cd N4 O5 -","- C80 H72 Cd4 N16 O20 -","4","1","","Yang, Huai Xia; Yang, Yan Qiu; Cheng, Di; Li, Ya Xue; Meng, Xiang Ru","A new two-dimensional Cd<sup>II</sup> coordination polymer based on 2-(1H-imidazol-1-ylmethyl)-6-methyl-1H-benzimidazole and benzene-1,2-dicarboxylate: synthesis, crystal structure and characterization.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","828","832","10.1107/S2053229617013080","","","0.71073","MoKα","","0.0299","0.028","","","0.0557","0.0568","","","","","","1.097","","","","has coordinates","246168","2020-10-21","18:00:00",""
"2311924","4.8622","0.0003","6.9718","0.0004","10.1539","0.0005","90","","98.727","0.003","90","","340.21","0.03","123","","123","","","","","","","","","4","P 1 c 1","P -2yc","7","","Hydroxytropylium chloride","","- C7 H7 Cl O -","- C7 H7 Cl O -","- C14 H14 Cl2 O2 -","2","1","FP3042","Jandl, Christian; Pöthig, Alexander","Hydroxytropylium chloride: the first crystal structure of an unfunctionalized hydroxytropylium ion.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","810","813","10.1107/S2053229617013183","","","0.71073","MoKα","","0.0213","0.0212","","","0.0585","0.0587","","","","","","1.036","","","","has coordinates","246169","2020-10-21","18:00:00",""
"2311925","9.7575","0.0003","11.0792","0.0003","15.5286","0.0004","88.733","0.001","83.753","0.001","66.337","0.001","1528.02","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(2,3-Dichlorophenyl)-2,5-dimethoxybenzenesulfonamide","","- C14 H13 Cl2 N O4 S -","- C14 H13 Cl2 N O4 S -","- C56 H52 Cl8 N4 O16 S4 -","4","2","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Different supramolecular architectures mediated by different weak interactions in the crystals of three N-aryl-2,5-dimethoxybenzenesulfonamides.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","833","844","10.1107/S2053229617013195","","","1.54178","CuKα","","0.0333","0.0328","","","0.0903","0.0909","","","","","","1.03","","","","has coordinates","246170","2020-10-21","18:00:00",""
"2311926","7.4855","0.0005","8.1175","0.0006","13.9643","0.001","98.151","0.002","95.566","0.002","114.952","0.002","749.84","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(2,4-Dichlorophenyl)-2,5-dimethoxybenzenesulfonamide","","- C14 H13 Cl2 N O4 S -","- C14 H13 Cl2 N O4 S -","- C28 H26 Cl4 N2 O8 S2 -","2","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Different supramolecular architectures mediated by different weak interactions in the crystals of three N-aryl-2,5-dimethoxybenzenesulfonamides.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","833","844","10.1107/S2053229617013195","","","1.54178","CuKα","","0.0348","0.034","","","0.0989","0.1001","","","","","","1.018","","","","has coordinates","246170","2020-10-21","18:00:00",""
"2311927","8.2859","0.0014","8.7197","0.0015","12.232","0.002","70.522","0.005","80.171","0.005","78.856","0.005","812.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2,4-Dimethylphenyl)-2,5-dimethoxybenzenesulfonamide","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C32 H38 N2 O8 S2 -","2","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Different supramolecular architectures mediated by different weak interactions in the crystals of three N-aryl-2,5-dimethoxybenzenesulfonamides.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","833","844","10.1107/S2053229617013195","","","1.54178","CuKα","","0.0438","0.043","","","0.1346","0.1366","","","","","","0.986","","","","has coordinates","246170","2020-10-21","18:00:00",""
"2311928","8.6181","0.0006","12.8068","0.0009","16.7622","0.0012","85.5267","0.0009","79.0539","0.001","80.1701","0.001","1787.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","a","3,5-Dichloropyridinium tetrachloridozincate(II)","","- C10 H8 Cl8 N2 Zn -","- C10 H8 Cl8 N2 Zn -","- C40 H32 Cl32 N8 Zn4 -","4","2","YP3141","Wang, Ai; Englert, Ulli","N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","803","809","10.1107/S2053229617013201","","","0.71073","MoKα","","0.0341","0.0286","","","0.0719","0.0745","","","","","","1.011","","","","has coordinates","246171","2020-10-21","18:00:00",""
"2311929","8.8739","0.0015","13.469","0.002","17.284","0.003","79.539","0.003","78.468","0.002","76.968","0.002","1951.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","b","3,5-Dichloropyridinium tetrabromidozincate(II)","","- C10 H8 Br4 Cl4 N2 Zn -","- C10 H8 Br4 Cl4 N2 Zn -","- C40 H32 Br16 Cl16 N8 Zn4 -","4","2","YP3141","Wang, Ai; Englert, Ulli","N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","803","809","10.1107/S2053229617013201","","","0.71073","MoKα","","0.0683","0.0464","","","0.1065","0.1161","","","","","","1.015","","","","has coordinates","246171","2020-10-21","18:00:00",""
"2311930","8.8698","0.0009","13.4808","0.0013","17.2853","0.0017","79.5702","0.0015","78.4951","0.0014","76.8616","0.0014","1952.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","c","3,5-Dichloropyridinium tetrabromidocobaltate(II)","","- C10 H8 Br4 Cl4 Co N2 -","- C10 H8 Br4 Cl4 Co N2 -","- C40 H32 Br16 Cl16 Co4 N8 -","4","2","YP3141","Wang, Ai; Englert, Ulli","N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","803","809","10.1107/S2053229617013201","","","0.71073","MoKα","","0.0573","0.0384","","","0.0816","0.088","","","","","","1.01","","","","has coordinates","246171","2020-10-21","18:00:00",""
"2311931","10.419","0.002","13.496","0.002","6.669","0.002","90","","90","","90","","937.8","0.4","298","2","298","2","","","","","","","","6","I m m a","-I 2b 2","74","","Sodium calcium trinickel aluminium triarsenate","","- Al0.46 As3 Ca0.77 Na Ni2.54 O12 -","- Al0.457 As3 Ca0.774 Na Ni2.543 O12 -","- Al1.828 As12 Ca3.096 Na4 Ni10.172 O48 -","4","0.25","SK3667","Ben Smail, Ridha; Zid, Mohamed Faouzi","An arsenate with the α-CrPO<sub>4</sub> structure type, NaCa<sub>1-x</sub>Ni<sub>3-2x</sub>Al<sub>2x</sub>(AsO<sub>4</sub>)<sub>3</sub> (x = 0.23): crystal structure, charge-distribution and bond-valence-sum analyses.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","896","904","10.1107/S2053229617013213","","","0.71073","MoKα","","0.0227","0.0196","","","0.0565","0.0579","","","","","","1.13","","","","has coordinates","246172","2020-10-21","18:00:00",""
"2311932","26.022","0.009","7.41","0.003","6.531","0.002","90","","94.377","0.011","90","","1255.7","0.8","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BBO6-Me","4,4'-Bis[5-(methoxycarbonyl)pentyloxy]biphenyl","","- C26 H34 O6 -","- C26 H34 O6 -","- C52 H68 O12 -","2","0.5","OV3098","Geiger, David K.; Geiger, H. Cristina; Moore, Shawn M.; Roberts, William R.","Structural characterization, gelation ability, and energy-framework analysis of two bis(long-chain ester)-substituted 4,4'-biphenyl compounds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","791","796","10.1107/S2053229617013237","","","0.71073","MoKa","","0.1227","0.0806","","","0.2295","0.2644","","","","","","1.043","","","","has coordinates,has disorder","246173","2020-10-21","18:00:00",""
"2311933","26.594","0.007","7.5344","0.0017","6.5302","0.0014","90","","95.872","0.008","90","","1301.6","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BBO6-Et","4,4'-Bis[5-(ethoxycarbonyl)pentyloxy]biphenyl","","- C28 H38 O6 -","- C28 H38 O6 -","- C56 H76 O12 -","2","0.5","OV3098","Geiger, David K.; Geiger, H. Cristina; Moore, Shawn M.; Roberts, William R.","Structural characterization, gelation ability, and energy-framework analysis of two bis(long-chain ester)-substituted 4,4'-biphenyl compounds.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","791","796","10.1107/S2053229617013237","","","0.71073","MoKa","","0.1204","0.0725","","","0.1958","0.2322","","","","","","1.055","","","","has coordinates,has disorder","246173","2020-10-21","18:00:00",""
"2311934","11.8775","0.0009","13.3374","0.0009","13.9741","0.0009","66.056","0.003","73.926","0.003","65.297","0.003","1822.6","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","Di-μ-chlorido-bis{μ-calix[2]imidazolium[2]imidazolylidene[2]pyrazolate}trinickel(II) tetrakis(hexafluoridophosphate) acetonitrile tetrasolvate","","- C56 H60 Cl2 F24 N28 Ni3 P4 -","- C56 H60 Cl2 F24 N28 Ni3 P4 -","- C56 H60 Cl2 F24 N28 Ni3 P4 -","1","0.5","FP3043","Altmann, Philipp J.; Ehrenreich, Michael; Pöthig, Alexander","A hybrid imidazolylidene/imidazolium nickel NHC complex: an isolated intermediate.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","880","884","10.1107/S2053229617013250","","","0.71073","MoKα","","0.066","0.0407","","","0.0853","0.0943","","","","","","1.024","","","","has coordinates","246174","2020-10-21","18:00:00",""
"2311935","13.4659","0.0006","11.0854","0.0006","10.7955","0.0006","90","","106.271","0.005","90","","1546.95","0.14","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Dibromoperfluorobutane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C10 H12 Br2 F8 N2 -","- C10 H12 Br2 F8 N2 -","- C40 H48 Br8 F32 N8 -","4","1","UK3139","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen bonding in a series of Br(CF<sub>2</sub>)<sub>n</sub>Br-DABCO adducts (n = 4, 6, 8).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","874","879","10.1107/S2053229617013663","","","0.71073","MoKα","","0.0652","0.0408","","","0.0554","0.0644","","","","","","0.934","","","","has coordinates","246175","2020-10-21","18:00:00",""
"2311936","6.0096","0.0004","10.4941","0.0008","14.5016","0.0011","92.051","0.006","101.375","0.006","90.507","0.006","895.89","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,6-Dibromoperfluorohexane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C12 H12 Br2 F12 N2 -","- C12 H12 Br2 F12 N2 -","- C24 H24 Br4 F24 N4 -","2","1","UK3139","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen bonding in a series of Br(CF<sub>2</sub>)<sub>n</sub>Br-DABCO adducts (n = 4, 6, 8).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","874","879","10.1107/S2053229617013663","","","0.71073","MoKα","","0.0694","0.0493","","","0.0961","0.1042","","","","","","1.128","","","","has coordinates","246175","2020-10-21","18:00:00",""
"2311937","6.03367","0.00019","10.4836","0.0005","16.4471","0.0009","88.785","0.004","84.126","0.003","89.724","0.003","1034.66","0.08","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","1,8-Dibromoperfluorooctane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C14 H12 Br2 F16 N2 -","- C14 H12 Br2 F16 N2 -","- C28 H24 Br4 F32 N4 -","2","1","UK3139","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen bonding in a series of Br(CF<sub>2</sub>)<sub>n</sub>Br-DABCO adducts (n = 4, 6, 8).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","874","879","10.1107/S2053229617013663","","","0.71073","MoKα","","0.0679","0.0497","","","0.1133","0.1222","","","","","","1.069","","","","has coordinates","246175","2020-10-21","18:00:00",""
"2311938","12.946","0.003","12.568","0.003","11.044","0.002","90","","115.18","0.03","90","","1626.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[tetrakis(μ-4-azaniumylbutanoato-\ κ^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)]-\ μ-chlorido-[diaquadichloridocopper(II)]-μ-chlorido] bis(perchlorate)]","","- C16 H40 Cl6 Cu3 N4 O18 -","- C16 H40 Cl6 Cu3 N4 O18 -","- C32 H80 Cl12 Cu6 N8 O36 -","2","0.5","YF3125","Bouheroum, Sofiane; Cherouana, Aouatef; Beghidja, Adel; Dahaoui, Slimane; Rabu, Pierre","A new copper(II) coordination polymer containing chains of interconnected paddle-wheel antiferromagnetic clusters.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1050","1055","10.1107/S2053229617013766","","","0.71073","MoKα","","0.0588","0.0436","","","0.1046","0.1094","","","","","","0.994","","","","has coordinates","246176","2020-10-21","18:00:00",""
"2311939","9.218","0.0009","17.4137","0.0018","12.1884","0.0012","90","","100.992","0.004","90","","1920.6","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 F6 N2 O2 Pd -","- C16 H14 Cl2 F6 N2 O2 Pd -","- C64 H56 Cl8 F24 N8 O8 Pd4 -","4","1","","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0537","0.0483","","","0.1332","0.1359","","","","","","1.85","","","","has coordinates,has disorder","246177","2020-10-21","18:00:00",""
"2311940","9.274","0.003","17.393","0.006","12.319","0.004","90","","100.352","0.014","90","","1954.7","1.1","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 F6 N2 O2 Pt -","- C16 H14 Cl2 F6 N2 O2 Pt -","- C64 H56 Cl8 F24 N8 O8 Pt4 -","4","1","","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.097","0.0645","","","0.159","0.1861","","","","","","1.091","","","","has coordinates,has disorder","246178","2020-10-21","18:00:00",""
"2311941","7.7401","0.0002","16.5086","0.0004","28.3013","0.0007","90","","90","","90","","3616.29","0.16","295","0.1","295","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{4,4'-Bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'}dichloridopalladium and -platinum","","- C16 H16 Cl2 F4 N2 O2 Pd -","- C16 H16 Cl2 F4 N2 O2 Pd -","- C128 H128 Cl16 F32 N16 O16 Pd8 -","8","1","KU3207","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0298","0.022","","","0.0471","0.0507","","","","","","1.079","","","","has coordinates","246179","2020-10-21","18:00:00",""
"2311942","7.7215","0.0002","16.5892","0.0004","28.1692","0.0007","90","","90","","90","","3608.29","0.16","100","0.2","100","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl2 F4 N2 O2 Pt -","- C16 H16 Cl2 F4 N2 O2 Pt -","- C128 H128 Cl16 F32 N16 O16 Pt8 -","8","1","KU3207","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0245","0.0204","","","0.0416","0.0431","","","","","","1.115","","","","has coordinates","246179","2020-10-21","18:00:00",""
"2311943","24.39","0.003","11.871","0.0015","16.048","0.002","90","","96.325","0.004","90","","4618.2","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[(3-amino-4-carboxybenzenesulfonato-κ<i>O</i>)aquabis[μ~2~-1,4-bis(triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]copper(II)] 3-amino-4-carboxybenzenesulfonate 3.5-hydrate]","","- C38 H46 Cu N14 O15 S2 -","- C38 H46 Cu N14 O15 S2 -","- C152 H184 Cu4 N56 O60 S8 -","4","1","KY3127","Chu, Xin; Zhang, Kou Lin","Preparation and characterization of two new Cu<sup>II</sup> supramolecular coordination polymers incorporating sulfobenzoate and flexible heterocyclic ligands.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1087","1097","10.1107/S2053229617014899","","","0.71073","MoKα","","0.0982","0.0612","","","0.1569","0.1792","","","","","","1.037","","","","has coordinates","246180","2020-10-21","18:00:00",""
"2311944","13.4947","0.0016","10.1948","0.0011","18.8909","0.0016","90","","134.327","0.005","90","","1859.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(μ~2~-2-amino-4-sulfonatobenzoato-κ^3^<i>O</i>^4^:<i>N</i>,<i>O</i>^4'^)tetraaqua[μ~2~-1,4-bis(triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^1^:<i>N</i>^1'^]dicopper(II)] tetrahydrate]","","- C28 H40 Cu2 N6 O18 S2 -","- C28 H40 Cu2 N6 O18 S2 -","- C56 H80 Cu4 N12 O36 S4 -","2","0.5","KY3127","Chu, Xin; Zhang, Kou Lin","Preparation and characterization of two new Cu<sup>II</sup> supramolecular coordination polymers incorporating sulfobenzoate and flexible heterocyclic ligands.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1087","1097","10.1107/S2053229617014899","","","0.71073","MoKα","","0.0733","0.0424","","","0.0848","0.0939","","","","","","1.019","","","","has coordinates,has disorder","246180","2020-10-21","18:00:00",""
"2311945","4.1043","0.0002","11.0458","0.0004","12.0465","0.0004","90","","93.74","0.003","90","","544.97","0.04","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-thiouracil","2-Thiouracil","","- C4 H4 N2 O S -","- C4 H4 N2 O S -","- C16 H16 N8 O4 S4 -","4","1","KU3205","Fabijanić, Ivana; Matković-Čalogović, Dubravka; Pilepić, Viktor; Sanković, Krešimir","Structural and computational analysis of intermolecular interactions in a new 2-thiouracil polymorph.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1078","1086","10.1107/S205322961701542X","","","0.71073","MoKα","","0.0364","0.0297","","","0.0755","0.0807","","","","","","1.049","","","","has coordinates","246181","2020-10-21","18:00:00",""
"2311946","12.4912","0.0005","12.4912","0.0005","7.4526","0.0003","90","","90","","120","","1007.04","0.07","296","","296","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Heptapotassium silver tetrakis(tetraoxotungstate)","","- Ag K7 O16 W4 -","- Ag K7 O16 W4 -","- Ag2 K14 O32 W8 -","2","0.166667","LY3055","Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu; Lazoryak, Bogdan I.; Korolkov, Iliya V.; Khaikina, Elena G.","Synthesis, crystal structures and properties of the new compounds K<sub>7-x</sub>Ag<sub>1+x</sub>(XO<sub>4</sub>)<sub>4</sub> (X = Mo, W).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1071","1077","10.1107/S2053229617015674","powder diffraction","","1.5418","CuKα","","","","","","","","","","3.64","","","","","","","has coordinates","246182","2020-10-21","18:00:00",""
"2311947","12.4188","0.0002","12.4188","0.0002","7.4338","0.0002","90","","90","","120","","992.89","0.03","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","Heptapotassium silver tetrakis(tetraoxomolybdate)","","- Ag1.32 K6.68 Mo4 O16 -","- Ag1.318 K6.682 Mo4 O16 -","- Ag2.636 K13.364 Mo8 O32 -","2","0.166667","LY3055","Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Solodovnikova, Zoya A.; Stefanovich, Sergey Yu; Lazoryak, Bogdan I.; Korolkov, Iliya V.; Khaikina, Elena G.","Synthesis, crystal structures and properties of the new compounds K<sub>7-x</sub>Ag<sub>1+x</sub>(XO<sub>4</sub>)<sub>4</sub> (X = Mo, W).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1071","1077","10.1107/S2053229617015674","","","0.71073","MoKα","","0.0181","0.0179","","","0.0402","0.0403","","","","","","1.12","","","","has coordinates","246182","2020-10-21","18:00:00",""
"2311948","6.9085","0.0002","8.4524","0.0002","17.9702","0.0005","101.801","0.0016","92.711","0.0016","109.829","0.0014","958.47","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium 4-hydroxy-3,5-dimethoxybenzoate monohydrate","","- C17 H21 N O8 -","- C17 H21 N O8 -","- C34 H42 N2 O16 -","2","1","KU3209","Cvetkovski, Aleksandar; Ferretti, Valeria; Bertolasi, Valerio","New pharmaceutical salts containing pyridoxine.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1064","1070","10.1107/S2053229617015765","","","0.71073","MoKα","","0.0729","0.0526","","","0.1536","0.1674","","","","","","1.055","","","","has coordinates","246183","2020-10-21","18:00:00",""
"2311949","7.244","0.0003","17.1615","0.0005","7.2706","0.0002","90","","98.806","0.002","90","","893.21","0.05","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridin-1-ium (<i>E</i>)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate monohydrate","","- C18 H23 N O8 -","- C18 H23 N O8 -","- C36 H46 N2 O16 -","2","1","KU3209","Cvetkovski, Aleksandar; Ferretti, Valeria; Bertolasi, Valerio","New pharmaceutical salts containing pyridoxine.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1064","1070","10.1107/S2053229617015765","","","0.71073","MoKα","","0.0508","0.04","","","0.1031","0.1081","","","","","","1.065","","","","has coordinates","246183","2020-10-21","18:00:00",""
"2311950","9.188","0.005","9.308","0.005","10.887","0.005","113.56","0.02","90.782","0.018","116.173","0.016","745.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-(2-Bromophenyl)-2-(1-methyl-1<i>H</i>-indole-3-carbonyl)acrylonitrile","","- C19 H13 Br N2 O -","- C19 H13 Br N2 O -","- C38 H26 Br2 N4 O2 -","2","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.022","0.0199","","","0.0477","0.0486","","","","","","1.066","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311951","13.728","0.006","14.901","0.006","15.507","0.006","90","","92.165","0.019","90","","3170","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>RS</i>)-2-(2-Bromobenzyl)-3-(1-methyl-1<i>H</i>-indol-3-yl)-\ 3-oxopropanenitrile","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C152 H120 Br8 N16 O8 -","8","2","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0612","0.0341","","","0.0633","0.0721","","","","","","1.052","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311952","10.912","0.004","12.544","0.008","15.583","0.007","89.23","0.04","79.49","0.03","73.2","0.03","2006","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(2<i>RS</i>)-3-(1-benzyl-1<i>H</i>-indol-3-yl)-\ 2-(2-bromobenzyl)-3-oxopropanenitrile","","- C25 H19 Br N2 O -","- C25 H19 Br N2 O -","- C100 H76 Br4 N8 O4 -","4","2","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0695","0.0415","","","0.0747","0.0838","","","","","","1.023","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311953","19.406","0.009","8.773","0.004","23.028","0.009","90","","103.318","0.015","90","","3815","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-(1-Acetyl-1<i>H</i>-indol-3-yl)-3-(2-bromophenyl)-2-cyanoprop-1-en-1-yl acetate","","- C22 H17 Br N2 O3 -","- C22 H17 Br N2 O3 -","- C176 H136 Br8 N16 O24 -","8","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0756","0.0558","","","0.1216","0.1355","","","","","","1.082","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311954","14.886","0.004","8.129","0.003","21.432","0.006","90","","104.638","0.012","90","","2509.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(1-Benzyl-1<i>H</i>-indol-3-yl)-3-(2-bromophenyl)-2-cyanoprop-1-en-1-yl benzoate","","- C32 H23 Br N2 O2 -","- C32 H23 Br N2 O2 -","- C128 H92 Br4 N8 O8 -","4","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0494","0.0359","","","0.0798","0.0855","","","","","","1.046","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311955","10.986","0.004","8.977","0.004","13.209","0.005","90","","97.14","0.017","90","","1292.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Benzoyl-3-(2-bromophenyl)acrylonitrile","","- C16 H10 Br N O -","- C16 H10 Br N O -","- C64 H40 Br4 N4 O4 -","4","1","YF3130","García, Andrés C; Abonía, Rodrigo; Jaramillo-Gómez, Luz M; Cobo, Justo; Glidewell, Christopher","Design, synthesis and crystallographic study of novel indole-based cyano derivatives as key building blocks for heteropolycyclic compounds of major complexity.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1040","1049","10.1107/S2053229617015789","","","0.71073","MoKα","","0.0254","0.0217","","","0.0511","0.0528","","","","","","1.108","","","","has coordinates","246184","2020-10-21","18:00:00",""
"2311956","13.5451","0.0018","13.889","0.0019","14.4514","0.0012","94.449","0.003","92.316","0.003","119.009","0.004","2361","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Poly[tetra-<i>n</i>-butylammonium [bis(μ~2~-dimethyldithiocarbamato)dodeca-μ~3~-iodido-hexa-μ~2~-iodido-tetracopper(I)copper(II)hexalead(II)]]","","- C38 H84 Cu5 I18 N4 Pb6 S4 -","- C38 H84 Cu5 I18 N4 Pb6 S4 -","- C38 H84 Cu5 I18 N4 Pb6 S4 -","1","0.5","OV3096","Fan, Le Qing; Zhu, Xiao Tong","Syntheses and crystal structures of two heterometallic iodoplumbates containing mixed-valence copper(I/II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1098","1103","10.1107/S2053229617015807","","","0.71073","MoKα","","0.0847","0.0544","","","0.1138","0.1277","","","","","","1.071","","","","has coordinates","246185","2020-10-21","18:00:00",""
"2311957","17.5853","0.0009","18.1041","0.0008","13.0705","0.0006","90","","128.789","0.005","90","","3243.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Poly[[μ~3~-iodido-tri-μ~2~-iodido-iodido[bis(1,10-phenanthroline)copper(I)]copper(I)copper(II)lead(II)] hemiiodine]","","- C24 H16 Cu2 I6 N4 Pb -","- C24 H16 Cu2.0002 I6 N4 Pb -","- C96 H64 Cu8.0008 I24 N16 Pb4 -","4","0.5","OV3096","Fan, Le Qing; Zhu, Xiao Tong","Syntheses and crystal structures of two heterometallic iodoplumbates containing mixed-valence copper(I/II).","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1098","1103","10.1107/S2053229617015807","","","0.71073","MoKα","","0.063","0.0393","","","0.0759","0.0856","","","","","","1.006","","","","has coordinates","246185","2020-10-21","18:00:00",""
"2311958","7.1681","0.00008","9.28821","0.0001","13.42132","0.00015","88.3124","0.0005","85.6481","0.0005","69.7508","0.0005","835.927","0.016","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide benzene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide benzene hemisolvate","","- C16 H9 Cl5 N O3 -","- C16 H9 Cl5 N O3 -","- C32 H18 Cl10 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.0543","0.0473","","","0.121","0.1243","","","","","","1.148","","","","has coordinates","246186","2020-10-21","18:00:00",""
"2311959","7.12429","0.00008","9.40484","0.00011","14.27988","0.00016","83.7014","0.0005","80.0916","0.0005","67.8388","0.0004","871.84","0.017","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide xylene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide xylene hemisolvate","","- C17 H11 Cl5 N O3 -","- C17 H11 Cl5 N O3 -","- C34 H22 Cl10 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.0414","0.0362","","","0.0841","0.0865","","","","","","1.122","","","","has coordinates","246186","2020-10-21","18:00:00",""
"2311960","6.92017","0.00008","9.71946","0.00011","13.98498","0.00017","86.3845","0.0005","85.4687","0.0005","65.8069","0.0005","854.849","0.018","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide toluene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide toluene hemisolvate","","- C16.5 H10 Cl5 N O3 -","- C16.5 H10 Cl5 N O3 -","- C33 H20 Cl10 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.0397","0.0361","","","0.1003","0.1028","","","","","","1.068","","","","has coordinates,has disorder","246186","2020-10-21","18:00:00",""
"2311961","6.90927","0.00008","9.69846","0.0001","13.97198","0.00015","86.5557","0.0005","85.9678","0.0005","65.8305","0.0005","851.561","0.016","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Oxyclozanide chlorobenzene hemisolvate","2,3,5-Trichloro-<i>N</i>-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide chlorobenzene hemisolvate","","- C16 H8.5 Cl5.5 N O3 -","- C16 H8.5 Cl5.5 N O3 -","- C32 H17 Cl11 N2 O6 -","2","1","EG3229","Sridhar, Balasubramanian; Ravikumar, Krishnan","Role of halogen-halogen contacts in the crystal structures of three new solvates of the drug oxyclozanide.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1056","1063","10.1107/S2053229617015923","","","0.71073","MoKα","","0.036","0.0301","","","0.073","0.0757","","","","","","1.096","","","","has coordinates,has disorder","246186","2020-10-21","18:00:00",""
"2311962","3.72856","0.00013","18.8381","0.0004","9.1981","0.0002","90","","101.337","0.003","90","","633.46","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[(μ~2~-2,2'-bipyridyl-κ^3^<i>N</i>,<i>N</i>':<i>N</i>)di-μ~3~-cyanido-κ^6^<i>C</i>:<i>N</i>:<i>N</i>-gold(I)potassium(I)]","","- C12 H8 Au K N4 -","- C12 H8 Au K N4 -","- C24 H16 Au2 K2 N8 -","2","1","KU3210","Döring, Cindy; Strey, Mark; Jones, Peter G.","The march of progress: structures of the adducts of potassium dicyanidoaurate(I) with 2,2'-bipyridyl (redetermination) and 1,10-phenanthroline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1104","1108","10.1107/S2053229617016047","","","0.71073","MoKα","","0.0168","0.0153","","","0.029","0.0296","","","","","","1.056","","","","has coordinates","246187","2020-10-21","18:00:00",""
"2311963","41.202","0.003","3.67714","0.00016","19.5967","0.0014","90","","116.232","0.009","90","","2663.2","0.4","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[di-μ~3~-cyanido-κ^6^<i>C</i>:<i>N</i>:<i>N</i>-(μ~2~-1,10-phenanthroline-κ^3^<i>N</i>,<i>N</i>':<i>N</i>)gold(I)potassium(I)]","","- C14 H8 Au K N4 -","- C14 H8 Au K N4 -","- C112 H64 Au8 K8 N32 -","8","1","KU3210","Döring, Cindy; Strey, Mark; Jones, Peter G.","The march of progress: structures of the adducts of potassium dicyanidoaurate(I) with 2,2'-bipyridyl (redetermination) and 1,10-phenanthroline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1104","1108","10.1107/S2053229617016047","","","0.71073","MoKα","","0.0794","0.0329","","","0.034","0.0367","","","","","","0.74","","","","has coordinates","246187","2020-10-21","18:00:00",""
"2311964","4.6448","0.001","15.632","0.003","14.13","0.003","90","","91.632","0.01","90","","1025.5","0.4","100","","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-6,9-dihydro-1<i>H</i>-purin-6-one","","- C9 H13 N5 O4 -","- C9 H13 N5 O4 -","- C36 H52 N20 O16 -","4","1","QP3002","Roque-Flores, Roxana L; Guzei, Ilia A.; Matos, Jivaldo do Rosario; Yu, Lian","Polymorphs of the antiviral drug ganciclovir.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1116","1120","10.1107/S2053229617016059","","","0.71073","MoKα","","0.0621","0.0535","","","0.1455","0.151","","","","","","1.022","","","","has coordinates","246188","2020-10-21","18:00:00",""
"2311965","19.9182","0.0009","19.9182","0.0009","19.9182","0.0009","116.98","0.002","116.98","0.002","116.98","0.002","3496.4","0.7","100","2","100","2","","","","","","","","4","R -3 :R","-P 3*","148","","(1'<i>RS</i>,2'<i>RS</i>,3<i>SR</i>,7a'<i>SR</i>)-2'-Benzoyl-1-hexyl-2-oxo-\ 1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine]-1'-carboxylic acid","","- C28 H32 N2 O4 -","- C28 H32 N2 O4 -","- C168 H192 N12 O24 -","6","1","SK3676","Quiroga, Jairo; Romo, Pablo; Cobo, Justo; Glidewell, Christopher","Synthesis of spiro[indoline-3,3'-pyrrolizines] by 1,3-dipolar reactions between isatins, L-proline and electron-deficient alkenes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1109","1115","10.1107/S2053229617016072","","","0.71073","MoKα","","0.0909","0.0539","","","0.1118","0.1273","","","","","","1.034","","","","has coordinates","246189","2020-10-21","18:00:00",""
"2311966","12.8","0.004","12.511","0.005","18.638","0.005","90","","99.325","0.012","90","","2945.3","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1'<i>RS</i>,2'<i>RS</i>,3<i>SR</i>,7a'<i>SR</i>)-1',2'-Bis(4-chlorobenzoyl)-5,7-dichloro-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizine] dichloromethane 0.981-solvate","","- C28.981 H21.962 Cl5.962 N2 O3 -","- C28.981 H21.962 Cl5.962 N2 O3 -","- C115.924 H87.848 Cl23.848 N8 O12 -","4","1","SK3676","Quiroga, Jairo; Romo, Pablo; Cobo, Justo; Glidewell, Christopher","Synthesis of spiro[indoline-3,3'-pyrrolizines] by 1,3-dipolar reactions between isatins, L-proline and electron-deficient alkenes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1109","1115","10.1107/S2053229617016072","","","0.71073","MoKα","","0.0319","0.0279","","","0.0671","0.0694","","","","","","1.038","","","","has coordinates,has disorder","246189","2020-10-21","18:00:00",""
"2311967","11.0485","0.0006","16.0249","0.0008","16.4318","0.0007","100.824","0.004","103.574","0.004","102.737","0.004","2668.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis[4'-(isoquinolin-2-ium-4-yl)-2,2':6',2'-terpyridine-1,1''-diium] tris[tetrachloridozincate(II)] monohydrate","","- C48 H40 Cl12 N8 O Zn3 -","- C48 H40 Cl12 N8 O Zn3 -","- C96 H80 Cl24 N16 O2 Zn6 -","2","1","JX3001","Granifo, Juan; Suárez, Sebastián; Boubeta, Fernando; Baggio, Ricardo","Crystallographic and computational study of a network composed of [ZnCl<sub>4</sub>]<sup>2-</sup> anions and triply protonated 4'-functionalized terpyridine cations.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1121","1130","10.1107/S2053229617016308","","","0.71073","MoKα","","0.0689","0.0427","","","0.0798","0.0924","","","","","","0.926","","","","has coordinates","246190","2020-10-21","18:00:00",""
"2311968","9.1277","0.001","13.5001","0.0016","14.6344","0.0017","113.316","0.003","103.239","0.003","100.711","0.003","1533","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Di-μ-bromido-bis{[1-(cyclohepta-2,4,6-trien-2-yl-1-ylidene-κ<i>C</i>^1^)-3-(2,6-diisopropylphenyl)imidazol-4-in-2-ylidene]palladium(II)} bis(pentaiodide) dichloromethane monosolvate","","- C45 H50 Br2 Cl2 I10 N4 Pd2 -","- C44 H48 Br2 I10 N4 Pd2 -","- C44 H48 Br2 I10 N4 Pd2 -","1","0.5","OV3101","Jandl, Christian; Pöthig, Alexander","Dimerization of a mixed-carbene Pd<sup>II</sup> dibromide complex by elemental iodine.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1131","1136","10.1107/S2053229617016412","","","0.71073","MoKα","","0.0285","0.0233","","","0.0491","0.0509","","","","","","1.072","","","","has coordinates","246191","2020-10-21","18:00:00",""
"2311969","22.622","0.0004","7.1937","0.0002","13.5315","0.0007","90","","103.499","0.002","90","","2141.23","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(<i>Z</i>)-4-(4-Chlorobenzylidene)-5-oxo-3,4-dihydro-1<i>H</i>-imidazol-2-yl]-1-(2-hydroxyethyl)piperazin-1-ium pyridine-2-carboxylate","","- C22 H24 Cl N5 O4 -","- C22 H24 Cl N5 O4 -","- C88 H96 Cl4 N20 O16 -","4","1","KY3131","Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Conformational study of (Z)-5-(4-chlorobenzylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-3H-imidazol-4(5H)-one in different environments: insight into the structural properties of bacterial efflux pump inhibitors.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1151","1157","10.1107/S2053229617016461","","","0.71073","MoKα","","0.064","0.0434","","","0.0935","0.1027","","","","","","1.022","","","","has coordinates","246192","2020-10-21","18:00:00",""
"2311970","7.8667","0.0004","11.9015","0.0007","14.4406","0.0009","66.859","0.006","85.085","0.004","81.332","0.005","1228.51","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","4-[(<i>Z</i>)-4-(4-Chlorobenzylidene)-5-oxo-3,4-dihydro-1<i>H</i>-imidazol-2-yl]-1-(2-hydroxyethyl)piperazin-1-ium 2-(4-nitrophenyl)acetate","","- C24 H26 Cl N5 O6 -","- C24 H26 Cl N5 O6 -","- C48 H52 Cl2 N10 O12 -","2","1","KY3131","Żesławska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Conformational study of (Z)-5-(4-chlorobenzylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-3H-imidazol-4(5H)-one in different environments: insight into the structural properties of bacterial efflux pump inhibitors.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1151","1157","10.1107/S2053229617016461","","","1.54184","CuKα","","0.0906","0.0675","","","0.1888","0.2227","","","","","","1.026","","","","has coordinates,has disorder","246192","2020-10-21","18:00:00",""
"2311971","10.0831","0.0001","17.4525","0.0002","7.6133","0.0001","90","","99.48","0.001","90","","1321.46","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetone thiosemicarbazone-κ^2^<i>N</i>^1^,<i>S</i>)bis(isothiocyanato-κ<i>N</i>)zinc(II) monohydrate","","- C6 H11 N5 O S3 Zn -","- C6 H11 N5 O S3 Zn -","- C24 H44 N20 O4 S12 Zn4 -","4","1","KU3206","Swiatkowski, Marcin; Kruszynski, Rafal","New fluorescent compounds based on zinc thiocyanate: influence of structure on spectral properties.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1144","1150","10.1107/S2053229617016564","","","1.54184","CuKα","","0.0275","0.0252","","","0.0674","0.0688","","","","","","1.055","","","","has coordinates","246193","2020-10-21","18:00:00",""
"2311972","21.8246","0.0008","5.0239","0.0002","21.6451","0.0008","90","","90.074","0.004","90","","2373.27","0.16","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diaquatetrakis(urea-κ<i>O</i>)zinc(II) tetrakis(isothiocyanato-κ<i>N</i>)zinc(II)","","- C8 H20 N12 O6 S4 Zn2 -","- C8 H20 N12 O6 S4 Zn2 -","- C32 H80 N48 O24 S16 Zn8 -","4","0.5","KU3206","Swiatkowski, Marcin; Kruszynski, Rafal","New fluorescent compounds based on zinc thiocyanate: influence of structure on spectral properties.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1144","1150","10.1107/S2053229617016564","","","0.71073","MoKα","","0.0196","0.018","","","0.0488","0.0494","","","","","","1.063","","","","has coordinates","246193","2020-10-21","18:00:00",""
"2311973","7.9565","0.0003","8.5027","0.0003","11.0842","0.0003","77.857","0.003","76.632","0.003","62.158","0.004","640.51","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1-(4-Hexyloxy-3-hydroxyphenyl)ethanone","","- C14 H20 O3 -","- C14 H20 O3 -","- C28 H40 O6 -","2","1","FN3250","Suárez, Sebastián; Manzano, Veronica E.; Fantoni, Adolfo C.; Halac, Emilia; Baggio, Ricardo; Cukiernik, Fabio D.","A combined crystallographic, thermal, Raman and computational study on polymorphism and phase transition in 1-(4-hexyloxy-3-hydroxyphenyl)ethanone.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 12","1137","1143","10.1107/S2053229617016795","","","0.71073","MoKα","","0.0518","0.04","","","0.1023","0.1108","","","","","","1.019","","","","has coordinates","246194","2020-10-21","18:00:00",""