# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T13:22:51+01:00
# Query:
# SELECT data.*
# FROM
# data JOIN jaltnames
# ON altname = journal
# WHERE
# (status is null or status != 'retracted') and
# (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta crystallographica. Section E, Crystallographic communications') 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
"2022699","17.6747","0.0003","15.7656","0.0002","10.9086","0.0002","90","","105.666","0.002","90","","2926.79","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5-Diimino-8a-methyl-4,9-bis(4-methylphenyl)-7-oxo-6-phenyl-decahydro-2H-3,8-methanopyrano[3,2-c]pyridine-3,4a-dicarbonitrile N,N-dimethylformamide monosolvate","4,10-Diimino-8-methyl-2,11-bis(4-methylphenyl)-6-oxo-5-phenyl-9-oxa-5-azatricyclo[5.3.1.0^3,8^]undecane-1,3-dicarbonitrile N,N-dimethylformamide monosolvate","","- C35 H34 N6 O3 -","- C35 H34 N6 O3 -","- C140 H136 N24 O12 -","4","1","WM5672","Naghiyev, Farid N.; Khrustalev, Victor N.; Novikov, Anton P.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 2,5-di-imino-8a-methyl-4,9-bis-(4-methyl-phen-yl)-7-oxo-6-phenyl-deca-hydro-2H-3,8-methano-pyrano[3,2-c]pyridine-3,4a-dicarbo-nitrile N,N-di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","254","258","10.1107/S2056989023001718","","","1.54184","CuKα","","0.0666","0.0587","","","0.16","0.1656","","","","","","1.078","","","","has coordinates,has Fobs","283596","2023-05-06","10:49:06",""
"2022709","7.0808","0.0003","8.3978","0.0004","13.4212","0.0005","88.234","0.002","80.559","0.001","81.623","0.002","778.84","0.06","125","2","125","2","","","","","","","","3","P -1","-P 1","2","CF3 AD Rubrene","5,11-Diphenyl-6,12-bis[4-(trifluoromethyl)phenyl]tetracene","","- C44 H26 F6 -","- C44 H26 F6 -","- C44 H26 F6 -","1","0.5","JY2028","Clapham, Margaret L.; Douglas, Christopher J.","Two new cases of polymorphism in diagonally substituted rubrene derivatives.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","406","409","10.1107/S2056989023002736","","","0.71073","MoKα","","0.0602","0.0456","","","0.1203","0.1331","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","283577","2023-05-06","10:44:39",""
"2022710","17.4565","0.0015","7.2014","0.0006","13.9356","0.0012","90","","92.593","0.002","90","","1750.1","0.3","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","tert-Butyl AD Rubrene","5,11-Bis(4-tert-butylphenyl)-6,12-diphenyltetracene","","- C50 H44 -","- C50 H44 -","- C100 H88 -","2","0.5","JY2028","Clapham, Margaret L.; Douglas, Christopher J.","Two new cases of polymorphism in diagonally substituted rubrene derivatives.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","406","409","10.1107/S2056989023002736","","","1.54178","CuKα","","0.0417","0.0409","","","0.104","0.1046","","","","","","1.076","","","","has coordinates,has Fobs","283577","2023-05-06","10:44:39",""
"2022711","15.9782","0.0006","7.2762","0.0002","13.9814","0.0006","90","","102.701","0.002","90","","1585.71","0.1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 F6 -","- C44 H26 F6 -","- C88 H52 F12 -","2","0.5","JY2028","Clapham, Margaret L.; Douglas, Christopher J.","Two new cases of polymorphism in diagonally substituted rubrene derivatives.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","406","409","10.1107/S2056989023002736","","","0.71075","MoKα","","0.0763","0.0659","","","0.1299","0.1354","","","","","","1.108","","","","has coordinates","283577","2023-05-06","10:44:39",""
"2022712","23.527","0.003","9.0277","0.001","17.764","0.002","90","","95.928","0.004","90","","3752.8","0.8","292","1","292","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","5,11-Bis(4-tert-butylphenyl)-6,12-diphenylnaphthacene","","- C50 H44 -","- C50 H44 -","- C200 H176 -","4","1","JY2028","Clapham, Margaret L.; Douglas, Christopher J.","Two new cases of polymorphism in diagonally substituted rubrene derivatives.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","406","409","10.1107/S2056989023002736","","","0.71073","MoKα","","0.1913","0.0977","","","0.1393","0.169","","","","","","1.107","","","","has coordinates","283577","2023-05-06","10:44:39",""
"2022713","16.2967","0.0009","6.0887","0.0002","28.4139","0.0015","90","","90","","90","","2819.4","0.2","90","0.2","90","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)piperazin-1-ium 2,2,2-trifluoroacetate","","- C13 H17 F3 N2 O3 -","- C13 H17 F3 N2 O3 -","- C104 H136 F24 N16 O24 -","8","1","VM2279","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-meth-oxy-phen-yl)piperazin-1-ium salts: tri-fluoro-acetate, 2,3,4,5,6-penta-fluoro-benzoate, 4-iodo-benzoate, and a polymorph with 4-methyl-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","380","385","10.1107/S2056989023002529","","","0.71073","MoKα","","0.0403","0.0336","","","0.0825","0.0871","","","","","","1.049","","","","has coordinates,has Fobs","283578","2023-05-06","10:45:08",""
"2022714","16.9733","0.0007","8.3512","0.0004","13.298","0.0004","90","","101.494","0.001","90","","1847.16","0.13","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenyl)piperazin-1-ium 2,3,4,5,6-pentafluorobenzoate monohydrate","","- C18 H19 F5 N2 O4 -","- C18 H19 F5 N2 O4 -","- C72 H76 F20 N8 O16 -","4","1","VM2279","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-meth-oxy-phen-yl)piperazin-1-ium salts: tri-fluoro-acetate, 2,3,4,5,6-penta-fluoro-benzoate, 4-iodo-benzoate, and a polymorph with 4-methyl-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","380","385","10.1107/S2056989023002529","","","0.71073","MoKα","","0.0353","0.0308","","","0.0792","0.0825","","","","","","1.029","","","","has coordinates,has Fobs","283578","2023-05-06","10:45:08",""
"2022715","20.4117","0.0018","7.4255","0.0006","36.796","0.003","90","","92.97","0.003","90","","5569.6","0.8","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenyl)piperazin-1-ium 4-iodobenzoate monohydrate","","- C18 H23 I N2 O4 -","- C18 H23 I N2 O4 -","- C216 H276 I12 N24 O48 -","12","3","VM2279","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-meth-oxy-phen-yl)piperazin-1-ium salts: tri-fluoro-acetate, 2,3,4,5,6-penta-fluoro-benzoate, 4-iodo-benzoate, and a polymorph with 4-methyl-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","380","385","10.1107/S2056989023002529","","","0.71073","MoKα","","0.0507","0.0328","","","0.0637","0.0687","","","","","","1.029","","","","has coordinates,has Fobs","283578","2023-05-06","10:45:08",""
"2022716","6.1481","0.0013","7.3467","0.0012","19.98","0.004","80.19","0.006","86.089","0.005","82.843","0.006","881.3","0.3","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","4-(4-Methoxyphenyl)piperazin-1-ium 4-methylbenzoate monohydrate","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C38 H52 N4 O8 -","2","1","VM2279","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-meth-oxy-phen-yl)piperazin-1-ium salts: tri-fluoro-acetate, 2,3,4,5,6-penta-fluoro-benzoate, 4-iodo-benzoate, and a polymorph with 4-methyl-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","380","385","10.1107/S2056989023002529","","","0.71073","MoKα","","0.0595","0.0381","","","0.0718","0.0799","","","","","","1.065","","","","has coordinates,has Fobs","283578","2023-05-06","10:45:08",""
"2022717","7.0018","0.0003","7.3938","0.0003","31.531","0.001","90","","90.132","0.004","90","","1632.35","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-(4-Nitrophenyl)piperazin-1-ium salicylate","4-(4-Nitrophenyl)piperazin-1-ium 2-hydroxybenzoate","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C68 H76 N12 O20 -","4","1","VM2276","Archana, Sreeramapura D.; Foro, Sabine; Yathirajan, Hemmige S.; Kiran Kumar, Haruvegowda; Balerao, Rishik; Butcher, Ray J.","Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitro-phenyl)-piperazine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","373","379","10.1107/S2056989023002517","","","0.71073","MoKα","","0.0716","0.0492","","","0.1084","0.1191","","","","","","1.044","","","","has coordinates,has Fobs","283579","2023-05-06","10:45:21",""
"2022718","16.882","0.002","9.719","0.001","23.445","0.004","90","","104.17","0.01","90","","3729.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[4-(4-nitrophenyl)piperazin-1-ium] bis(4-fluorobenzoate) trihydrate","","- C34 H42 F2 N6 O11 -","- C34 H42 F2 N6 O11 -","- C136 H168 F8 N24 O44 -","4","1","","Archana, Sreeramapura D.; Foro, Sabine; Yathirajan, Hemmige S.; Kiran Kumar, Haruvegowda; Balerao, Rishik; Butcher, Ray J.","Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitro-phenyl)-piperazine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","373","379","10.1107/S2056989023002517","","","0.71073","MoKα","","0.2405","0.0891","","","0.1181","0.1536","","","","","","1.057","","","","has coordinates,has Fobs","283579","2023-05-06","10:45:22",""
"2022719","27.953","0.006","8.1422","0.0006","24.657","0.005","90","","136.55","0.04","90","","3859","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(4-Nitrophenyl)piperazin-1-ium 3,5-dinitrobenzoate","","- C17 H17 N5 O8 -","- C17 H17 N5 O8 -","- C136 H136 N40 O64 -","8","1","","Archana, Sreeramapura D.; Foro, Sabine; Yathirajan, Hemmige S.; Kiran Kumar, Haruvegowda; Balerao, Rishik; Butcher, Ray J.","Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitro-phenyl)-piperazine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","373","379","10.1107/S2056989023002517","","","0.71073","MoKα","","0.071","0.044","","","0.1063","0.1189","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","283579","2023-05-06","10:45:22",""
"2022720","3.7794","0.0009","9.132","0.002","11.115","0.003","106.477","0.002","96.768","0.002","92.72","0.002","363.98","0.15","110","1","109.99","0.01","","","","","","","","3","P -1","-P 1","2","","2,2':4,4'':4',4'''-Quaterpyridine","","- C20 H14 N4 -","- C20 H14 N4 -","- C20 H14 N4 -","1","0.5","ZN2024","Aderinto, Stephen O.; Thomas, Jim A.; Robertson, Craig C.","2,2':4,4'':4',4'''-Quaterpyridine: synthesis, crystal-structure description, and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","356","360","10.1107/S2056989023002426","","","0.71073","MoKα","","0.0705","0.0473","","","0.1112","0.1254","","","","","","1.07","","","","has coordinates,has Fobs","283581","2023-05-06","10:45:41",""
"2022721","11.7125","0.0004","18.404","0.0006","12.8601","0.0005","90","","108.613","0.003","90","","2627.09","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-(Phenylmethylene)bis(1-ethyl-3,4-dihydro-1H-2,1-benzothiazine-2,2,4-trione)","","- C27 H26 N2 O6 S2 -","- C27 H26 N2 O6 S2 -","- C108 H104 N8 O24 S8 -","4","1","EX2067","Shyshkina, Mariia O.; Lega, Dmitry A.; Shemchuk, Liudmyla M.; Starchikova, Irina L.; Shemchuk, Leonid A.","3,3'-(Phenyl-methyl-ene)bis-(1-ethyl-3,4-di-hydro-1H-2,1-benzo-thia-zine-2,2,4-trione): single-crystal X-ray diffraction study, quantum-chemical calculations and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","349","355","10.1107/S2056989023002505","","","0.71073","MoKα","","0.0754","0.0583","","","0.1453","0.1632","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","283582","2023-05-06","10:45:49",""
"2022722","10.3839","0.0005","11.3296","0.0006","12.3477","0.0007","103.393","0.005","96.38","0.004","97.934","0.004","1384.1","0.13","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","N-{N-[Amino(dimethylamino)methyl]carbamimidoyl}-3-bromobenzenesulfonamide","","- C10 H14 Br N5 O2 S -","- C10 H14 Br N5 O2 S -","- C40 H56 Br4 N20 O8 S4 -","4","2","PK2683","Su, Kexin; Luo, Jiangshui; Van Meervelt, Luc","Crystal structure and Hirshfeld surface analysis of N-{N-[amino-(di-methyl-amino)-meth-yl]carbamimido-yl}-3-bromo-benzene-sulfonamide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","367","372","10.1107/S2056989023002165","","x-ray","0.71073","MoKα","","0.1023","0.0531","","","0.0981","0.1167","","","","","","1.018","","","","has coordinates,has Fobs","283583","2023-05-06","10:45:58",""
"2022723","14.394","0.0002","14.394","0.0002","40.6538","0.0008","90","","90","","90","","8422.9","0.2","93.15","","93.15","","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","Bis[octakis(dimethyl sulfoxide-κO)ytterbium(III)] pentabromidoplumbate(II) tribromide dimethyl sulfoxide monosolvate","","- C17 H51 Br4 O8.5 Pb0.5 S8.5 Yb -","- C17 H51 Br4 O8.5 Pb0.5 S8.5 Yb -","- C136 H408 Br32 O68 Pb4 S68 Yb8 -","8","0.5","TX2065","Kinoshita, Takumi; Fukumoto, Kanna; Segawa, Hiroshi","Crystal structure of bis-[octa-kis-(di-methyl sulfoxide-κO)-ytterbium(III)] penta-bromido-plumbate(II) tribromide di-methyl sulfoxide monosolvate: a ytterbium-doped lead halide perovskite precursor.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","402","405","10.1107/S2056989023002852","","","1.54184","CuKα","","0.0883","0.0803","","","0.2103","0.2253","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","283584","2023-05-06","10:46:08",""
"2022724","12.2833","0.0002","13.1643","0.0002","14.2478","0.0002","90","","90","","90","","2303.88","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,2-(Ethene-1,2-diyl)bis(diphenylphoshpine sulfide/selenide)","","- C26 H22 P2 S1.13 Se0.87 -","- C26 H22 P2 S1.127 Se0.873 -","- C104 H88 P8 S4.508 Se3.492 -","4","1","DJ2064","Parkin, Sean; Cunningham, Jeremy; Rawls, Brian; Bender, John E.; Staples, Richard J.; Biros, Shannon M.","A mixed phosphine sulfide/selenide structure as an instructional example for how to evaluate the quality of a model.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","246","253","10.1107/S2056989023002700","","","1.54178","CuKα","","0.0211","0.0209","","","0.0533","0.0534","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","283585","2023-05-06","10:46:16",""
"2022725","16.7576","0.0006","16.3223","0.0007","19.2416","0.0008","90","","90","","90","","5263","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(12E)-12-(4-Benzylidene)-7,7,16-trimethyl-3-(4-methylphenyl)-1-oxa-16-azatetracyclo[11.2.1.0^2,11^.0^4,9^]hexadeca-2(11),4(9)-dien-5-one","","- C32 H35 N O2 -","- C32 H35 N O2 -","- C256 H280 N8 O16 -","8","1","ZN2026","Meenatchi, C. Selva; Vishnupriya, R.; Suresh, J.; Rubina, S. Raja; Selvanayagam, S.; Bhandari, S. R.","Crystal structures of (12E)-12-(4-benzyl-idene)-7,7,16-trimethyl-3-(4-methyl-phen-yl)-1-oxa-16-aza-tetra-cyclo-[11.2.1.02,11.04,9]hexa-deca-2(11),4(9)-dien-5-one and (12E)-12-(4-bromo-benzyl-idene)-73-(4-bromo-phen-yl)-,7,16-trimethyl-10-oxa-16-aza-tetra-cyclo-[11.2.1.02,11.04,9]hexa-deca-2(11),4(9)-dien-5-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","392","396","10.1107/S205698902300275X","","","0.71073","MoKα","","0.1017","0.0593","","","0.159","0.2134","","","","","","1.04","","","","has coordinates,has Fobs","283586","2023-05-06","10:46:36",""
"2022726","16.051","0.003","9.7793","0.0017","17.005","0.003","90","","96.312","0.005","90","","2653.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(12E)-12-(4-Bromobenzylidene)-73-(4-bromophenyl)-,7,16-trimethyl-10-oxa-16-azatetracyclo[11.2.1.0^2,11^.0^4,9^]hexadeca-2(11),4(9)-dien-5-one","","- C30 H29 Br2 N O2 -","- C30 H29 Br2 N O2 -","- C120 H116 Br8 N4 O8 -","4","1","ZN2026","Meenatchi, C. Selva; Vishnupriya, R.; Suresh, J.; Rubina, S. Raja; Selvanayagam, S.; Bhandari, S. R.","Crystal structures of (12E)-12-(4-benzyl-idene)-7,7,16-trimethyl-3-(4-methyl-phen-yl)-1-oxa-16-aza-tetra-cyclo-[11.2.1.02,11.04,9]hexa-deca-2(11),4(9)-dien-5-one and (12E)-12-(4-bromo-benzyl-idene)-73-(4-bromo-phen-yl)-,7,16-trimethyl-10-oxa-16-aza-tetra-cyclo-[11.2.1.02,11.04,9]hexa-deca-2(11),4(9)-dien-5-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","392","396","10.1107/S205698902300275X","","","0.71073","MoKα","","0.0747","0.0496","","","0.1221","0.1407","","","","","","1.093","","","","has coordinates,has Fobs","283586","2023-05-06","10:46:37",""
"2022727","5.2966","0.0003","15.8698","0.001","29.5216","0.0016","90","","90","","90","","2481.5","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(aqua-κO)[N-(2-oxidobenzylidene)valinato-κ^3^O,N,O']copper(II)–(aqua-κO)[N-(2-oxidobenzylidene)valinato-κ^3^O,N,O']copper(II)","","- C24 H32 Cu2 N4 O9 -","- C24 H32 Cu2 N2 O9 -","- C96 H128 Cu8 N8 O36 -","4","1","EX2068","Akiyama, Yukihito; Suzuki, Soma; Suda, Shintaro; Takiguchi, Yuji; Nakane, Daisuke; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of mono/bis-(aqua-κO)[N-(2-oxido-benzyl-idene)valinato-κ3 O,N,O']copper(II): dimeric Schiff base copper(II) complexes having different numbers of coordinated water mol-ecules.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","361","366","10.1107/S2056989023002487","","","0.71073","MoKα","","0.0254","0.0235","","","0.0519","0.0525","","","","","","1.038","","","","has coordinates,has Fobs","283589","2023-05-06","10:47:25",""
"2022728","9.4042","0.0006","10.7074","0.0006","10.7401","0.0006","99.211","0.005","110.852","0.006","91.515","0.005","993.52","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-methylimidazo[1,5-a]pyridin-2-ium) tetrachloridomanganate(II)","","- C16 H18 Cl4 Mn N4 -","- C16 H18 Cl4 Mn N4 -","- C32 H36 Cl8 Mn2 N8 -","2","1","JQ2027","Vassilyeva, Olga Yu; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.","Synthesis, crystal structure and Hirshfeld surface analysis of the hybrid salt bis-(2-methyl-imidazo[1,5-a]pyridin-2-ium) tetra-chlorido-manganate(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","397","401","10.1107/S2056989023002761","","x-ray","0.71073","MoKα","","0.0604","0.0469","","","0.1146","0.1263","","","","","","1.026","","","","has coordinates,has Fobs","283590","2023-05-06","10:47:43",""
"2022729","16.052","0.002","4.7635","0.0006","16.853","0.002","90","","101.702","0.008","90","","1261.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-Butyl N-(4-nitrophenyl)thiocarbamate","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C44 H56 N8 O12 S4 -","4","2","","Kaminsky, Werner; Kaganyuk, Max","Enanti-opure (S)-butan-2-yl N-(4-x-phen-yl)thio-carbamates, x = NO2, OCH3, F, and Cl.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","386","391","10.1107/S2056989023002591","","x-ray","0.71073","MoKα","","0.0586","0.0387","","","0.0761","0.0844","","","","","","1.01","","","","has coordinates,has Fobs","283598","2023-05-06","10:49:32",""
"2022730","6.6973","0.0005","21.2076","0.0017","9.1899","0.0007","90","","102.868","0.005","90","","1272.49","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-Butyl N-(4-methoxyphenyl)thiocarbamate","","- C12 H17 N O2 S -","- C12 H17 N O2 S -","- C48 H68 N4 O8 S4 -","4","2","","Kaminsky, Werner; Kaganyuk, Max","Enanti-opure (S)-butan-2-yl N-(4-x-phen-yl)thio-carbamates, x = NO2, OCH3, F, and Cl.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","386","391","10.1107/S2056989023002591","","x-ray","0.71073","MoKα","","0.0787","0.0511","","","0.0998","0.1127","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","283598","2023-05-06","10:49:32",""
"2022731","6.9723","0.0013","20.166","0.003","8.2818","0.0014","90","","99.403","0.013","90","","1148.8","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-2-Butyl N-(4-fluorophenyl)thiocarbamate","","- C11 H14 F N O S -","- C11 H14 F N O S -","- C44 H56 F4 N4 O4 S4 -","4","2","","Kaminsky, Werner; Kaganyuk, Max","Enanti-opure (S)-butan-2-yl N-(4-x-phen-yl)thio-carbamates, x = NO2, OCH3, F, and Cl.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","386","391","10.1107/S2056989023002591","","x-ray","0.71073","MoKα","","0.1842","0.0677","","","0.1089","0.1432","","","","","","0.946","","","","has coordinates,has Fobs","283598","2023-05-06","10:49:32",""
"2022732","15.4173","0.0015","5.017","0.0005","16.2502","0.0015","90","","105.592","0.005","90","","1210.7","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-2-Butyl N-(4-chlorophenyl)thiocarbamate","","- C11 H14 Cl N O S -","- C11 H14 Cl N O S -","- C44 H56 Cl4 N4 O4 S4 -","4","2","","Kaminsky, Werner; Kaganyuk, Max","Enanti-opure (S)-butan-2-yl N-(4-x-phen-yl)thio-carbamates, x = NO2, OCH3, F, and Cl.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","386","391","10.1107/S2056989023002591","","x-ray","0.71073","MoKα","","0.0332","0.0272","","","0.0631","0.0663","","","","","","1.039","","","","has coordinates,has Fobs","283598","2023-05-06","10:49:32",""
"2022734","6.6073","0.0005","8.2708","0.0005","16.984","0.001","102.385","0.006","91.745","0.006","99.903","0.006","890.84","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazin-1-ium 2-chlorobenzoate","","- C17 H18 Cl N3 O4 -","- C17 H18 Cl N3 O4 -","- C34 H36 Cl2 N6 O8 -","2","1","HB8051","Prasad, Holehundi J Shankara; Devaraju, ?; Yathirajan, Hemmige S.; Akkurt, Mehmet; Foro, Sabine; Balerao, Rishik; Butcher, Ray J.","Syntheses and crystal structures of three salts of 1-(4-nitro-phenyl)-piperazine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","423","427","10.1107/S205698902300302X","","","0.71073","MoKα","","0.1362","0.0653","","","0.131","0.1623","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","284385","2023-06-06","05:34:46",""
"2022735","7.257","0.0005","9.7772","0.0006","14.202","0.001","102.101","0.006","99.534","0.006","110.981","0.006","887.41","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazin-1-ium 2-bromobenzoate hemihydrate","","- C17 H19 Br N3 O4.5 -","- C17 H19 Br N3 O4.5 -","- C34 H38 Br2 N6 O9 -","2","1","","Prasad, Holehundi J Shankara; Devaraju, ?; Yathirajan, Hemmige S.; Akkurt, Mehmet; Foro, Sabine; Balerao, Rishik; Butcher, Ray J.","Syntheses and crystal structures of three salts of 1-(4-nitro-phenyl)-piperazine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","423","427","10.1107/S205698902300302X","","","0.71073","MoKα","","0.0692","0.036","","","0.0765","0.0843","","","","","","0.944","","","","has coordinates,has disorder,has Fobs","284385","2023-06-06","05:34:46",""
"2022736","7.3949","0.0006","9.344","0.0008","14.498","0.001","104.967","0.008","94.707","0.007","107.43","0.008","909.44","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazin-1-ium 2-iodobenzoate hemihydrate","","- C34 H38 I2 N6 O9 -","- C34 H38 I2 N6 O9 -","- C34 H38 I2 N6 O9 -","1","0.5","","Prasad, Holehundi J Shankara; Devaraju, ?; Yathirajan, Hemmige S.; Akkurt, Mehmet; Foro, Sabine; Balerao, Rishik; Butcher, Ray J.","Syntheses and crystal structures of three salts of 1-(4-nitro-phenyl)-piperazine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","423","427","10.1107/S205698902300302X","","","0.71073","MoKα","","0.0856","0.0464","","","0.0994","0.1169","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","284385","2023-06-06","05:34:46",""
"2022737","5.6045","0.0002","7.4315","0.0003","9.5396","0.0004","71.689","0.002","87.731","0.002","84.968","0.002","375.72","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-Fluoro-1H-pyrazole","","- C3 H3 F N2 -","- C3 H3 F N2 -","- C12 H12 F4 N8 -","4","2","VM2280","Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert","Crystal and mol-ecular structure of 4-fluoro-1H-pyrazole at 150 K.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","428","431","10.1107/S2056989023003055","","","0.71073","MoKα","","0.0383","0.0356","","","0.1058","0.108","","","","","","1.061","","","","has coordinates,has Fobs","284386","2023-06-06","05:35:00",""
"2022739","9.4445","0.0005","8.9404","0.0004","20.2237","0.0009","90","","93.257","0.004","90","","1704.88","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[μ-3-ethyl-5-(pyridin-2-yl)-1H-1,2,4-triazol-1-ido]bis[acetato(dimethylacetamide)copper(II)]","","- C28 H38 Cu2 N10 O6 -","- C28 H38 Cu2 N10 O6 -","- C56 H76 Cu4 N20 O12 -","2","0.5","JY2029","Petrenko, Yuliia P.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Shova, Sergiu; Lampeka, Rostyslav D.","Synthesis and crystal structure of a new copper(II) complex based on 5-ethyl-3-(pyridin-2-yl)-1,2,4-triazole.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","432","435","10.1107/S2056989023003079","","x-ray","0.71073","MoKα","","0.0564","0.039","","","0.0775","0.0848","","","","","","1.047","","","","has coordinates,has Fobs","284377","2023-06-06","05:32:38",""
"2022740","8.0978","0.0008","9.2021","0.0009","9.3316","0.001","84.027","0.006","88.091","0.006","84.17","0.006","687.83","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis[4-(allyloxy)-N'-(but-2-en-1-ylidene)benzohydrazidato]nickel(II)","","- C28 H30 N4 Ni O4 -","- C28 H30 N4 Ni O4 -","- C28 H30 N4 Ni O4 -","1","0.5","PK2680","Khan, Sultana Shakila; Howlader, Md Belayet Hossain; Sheikh, Md Chanmiya; Miyatake, Ryuta; Zangrando, Ennio","Crystal structure of bis-[4-(all-yloxy)-N'-(but-2-en-1-yl-idene)benzohydrazidato]nickel(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","465","468","10.1107/S2056989023002918","","","0.71075","MoKα","","0.0471","0.0395","","","0.0943","0.0979","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","284378","2023-06-06","05:32:45",""
"2022741","7.34138","0.0001","10.672","0.0002","12.9247","0.0002","104.503","0.0016","90.2462","0.0012","103.996","0.0014","948.97","0.03","100","2","100","0.17","","","","","","","","6","P -1","-P 1","2","","N-[3-(Benzo[d]thiazol-2-yl)-6-bromo-2H-chromen-2-ylidene]-4-methylbenzenamine","","- C23 H15 Br N2 O S -","- C23 H15 Br N2 O S -","- C46 H30 Br2 N4 O2 S2 -","2","1","YZ2032","Abdallah, Amira E. M.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of N-[3-(benzo[d]thia-zol-2-yl)-6-bromo-2H-chromen-2-yl-idene]-4-methyl-benzenamine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","441","445","10.1107/S2056989023002979","","x-ray","0.71073","MoKα","","0.049","0.0444","","","0.0846","0.0859","","","","","","1.27","","","","has coordinates,has Fobs","284379","2023-06-06","05:32:56",""
"2022742","14.2044","0.0007","14.2458","0.0007","15.4851","0.0008","90","","102.605","0.002","90","","3057.9","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetrakis(4,5-dihydrofuran-2-yl)silane","","- C16 H20 O4 Si -","- C16 H20 O4 Si -","- C128 H160 O32 Si8 -","8","2","HB8058","Ressel, Arnold; Krupp, Anna; Strohmann, Carsten","Crystal structures and Hirshfeld surface analyses of tetra-kis-(4,5-di-hydro-furan-2-yl)silane and tetra-kis-(4,5-di-hydro-furan-2-yl)germane.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","458","464","10.1107/S2056989023003158","","x-ray","0.71073","MoKα","","0.0385","0.0367","","","0.1011","0.103","","","","","","1.026","","","","has coordinates,has Fobs","284380","2023-06-06","05:33:13",""
"2022743","6.2398","0.0002","14.7216","0.0004","13.5383","0.0004","90","","94.229","0.001","90","","1240.24","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","Amitriptynolium 4-methoxybenzoate monohydrate","(3-{2-Hydroxytricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)dimethylazanium 4-methoxybenzoate monohydrate","","- C28 H35 N O5 -","- C28 H35 N O5 -","- C56 H70 N2 O10 -","2","1","HB8061","Vinaya, ?; Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Lakshmana, Beliyaiah; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses, crystal structures and Hirshfeld surface analyses of four mol-ecular salts of amitriptynol.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","451","457","10.1107/S2056989023003225","","","1.54178","CuKα","","0.0249","0.0241","","","0.0632","0.0637","","","","","","1.023","","","","has coordinates,has Fobs","284381","2023-06-06","05:33:36",""
"2022744","8.675","0.0003","55.2061","0.0019","12.3988","0.0004","90","","108.238","0.002","90","","5639.7","0.3","90","0.2","90","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","Amitriptynolium 3,4-dimethoxybenzoate trihydrate","(3-{2-Hydroxytricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)dimethylazanium 3,4-dimethoxybenzoate trihydrate","","- C29 H41 N O8 -","- C29 H41 N O8 -","- C232 H328 N8 O64 -","8","2","HB8061","Vinaya, ?; Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Lakshmana, Beliyaiah; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses, crystal structures and Hirshfeld surface analyses of four mol-ecular salts of amitriptynol.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","451","457","10.1107/S2056989023003225","","","1.54178","CuKα","","0.0362","0.031","","","0.0715","0.0744","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","284381","2023-06-06","05:33:39",""
"2022745","6.7576","0.0002","22.9081","0.0006","14.9477","0.0003","90","","95.359","0.001","90","","2303.85","0.1","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Amitriptynolium 2-chlorobenzoate","(3-{2-Hydroxytricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)dimethylazanium 2-chlorobenzoate","","- C27 H30 Cl N O3 -","- C27 H30 Cl N O3 -","- C108 H120 Cl4 N4 O12 -","4","1","HB8061","Vinaya, ?; Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Lakshmana, Beliyaiah; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses, crystal structures and Hirshfeld surface analyses of four mol-ecular salts of amitriptynol.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","451","457","10.1107/S2056989023003225","","","0.71073","MoKα","","0.0607","0.0447","","","0.0991","0.1102","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","284381","2023-06-06","05:33:40",""
"2022746","6.1659","0.0005","13.1299","0.0012","27.698","0.002","90","","90","","90","","2242.4","0.3","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Amitriptynolium thiophene-2-carboxylate monohydrate","(3-{2-Hydroxytricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)dimethylazanium thiophene-2-carboxylate monohydrate","","- C25 H31 N O4 S -","- C25 H31 N O4 S -","- C100 H124 N4 O16 S4 -","4","1","HB8061","Vinaya, ?; Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Lakshmana, Beliyaiah; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses, crystal structures and Hirshfeld surface analyses of four mol-ecular salts of amitriptynol.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","451","457","10.1107/S2056989023003225","","","0.71073","MoKα","","0.0331","0.0284","","","0.0594","0.0616","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","284381","2023-06-06","05:33:50",""
"2022747","12.40591","0.00009","10.98934","0.0001","20.58063","0.00017","90","","98.4293","0.0007","90","","2775.5","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-[(3,5-Di-tert-butyl-4-hydroxyphenyl)methanediyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","","- C31 H44 O5 -","- C31 H44 O5 -","- C124 H176 O20 -","4","1","ZN2027","Khalilov, Ali N.; Khrustalev, Victor N.; Aleksandrova, Larissa V.; Akkurt, Mehmet; Rzayev, Rovnag M.; Bhattarai, Ajaya; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 2,2'-[(3,5-di-tert-butyl-4-hy-droxy-phen-yl)methanedi-yl]bis-(3-hy-droxy-5,5-di-methyl-cyclo-hex-2-en-1-one).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","436","440","10.1107/S2056989023003171","","","1.54184","CuKα","","0.0402","0.0386","","","0.1029","0.1043","","","","","","1.031","","","","has coordinates,has Fobs","284387","2023-06-06","05:35:15",""
"2022748","12.0884","0.0011","17.0492","0.0016","13.5966","0.0011","90","","100.008","0.003","90","","2759.6","0.4","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Triethyl 5'-amino-2',4'-dicyano-4,4''-difluoro-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-2',4',6'-tricarboxylate","1,3,5-Triethyl 2-amino-3,5-dicyano-4,6-bis(4-fluorophenyl)cyclohex-1-ene-1,3,5-tricarboxylate","","- C29 H27 F2 N3 O6 -","- C29 H27 F2 N3 O6 -","- C116 H108 F8 N12 O24 -","4","1","EX2065","Chandana, S. N.; Ganesha, D. P.; Sreenatha, N. R.; Harisha, A. S.; Lakshminarayana, B. N.","Structural, Hirshfeld surface and three-dimensional inter-action-energy studies of 1,3,5-triethyl 2-amino-3,5-di-cyano-4,6-bis-(4-fluoro-phen-yl)cyclo-hex-1-ene-1,3,5-tri-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","446","450","10.1107/S2056989023003134","","","0.71073","MoKα","","0.1239","0.0874","","","0.1934","0.2142","","","","","","1.138","","","","has coordinates,has disorder,has Fobs","284389","2023-06-06","05:36:02",""
"2022750","14.587","0.003","17.25","0.003","6.804","0.0014","90","","90","","90","","1712.1","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(S)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propylaminium chloride","","- C18 H20 Cl N O S -","- C18 H20 Cl N O S -","- C72 H80 Cl4 N4 O4 S4 -","4","1","HB8060","Bhadbhade, Mohan M.; Gao, Jiabin; Rich, Anne M.; Marjo, Christopher E.","Structure of racemic duloxetine hydro-chloride.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","488","493","10.1107/S2056989023003353","","","0.71073","Synchrotron","","0.0255","0.0252","","","0.0658","0.066","","","","","","1.096","","","","has coordinates,has Fobs","284376","2023-06-06","05:32:29",""
"2022751","12.5335","0.0009","13.4331","0.0008","15.13","0.0012","90","","108.608","0.008","90","","2414.2","0.3","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(isoselenocyanato-κN)tetrakis(pyridine-κN)manganese(II)","","- C22 H20 Mn N6 Se2 -","- C22 H20 Mn N6 Se2 -","- C88 H80 Mn4 N24 Se8 -","4","0.5","HB8063","Näther, Christian; Mangelsen, Sebastian; Boeckmann, Jan","Synthesis, crystal structure and thermal decomposition pathway of bis-(iso-seleno-cyanato-κN)tetra-kis-(pyridine-κN)manganese(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","482","487","10.1107/S2056989023003535","","","0.71073","MoKα","","0.0568","0.0425","","","0.0831","0.0881","","","","","","1.028","","","","has coordinates,has Fobs","284382","2023-06-06","05:34:01",""
"2022752","7.11296","0.00005","15.4597","0.001","16.0358","0.001","90","","90","","90","","1763.36","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5aS,8aR)-3,5a-Dimethyl-8-methylidene-2-oxododecahydrooxireno[2',3':6,7]naphtho[1,2-b]furan-6-yl (Z)-2-methylbut-2-enoate","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","WM5679","Karimli, Elvin G.; Khrustalev, Victor N.; Kurasova, Margarita N.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of (5aS,8aR)-3,5a-dimethyl-8-methyl-idene-2-oxododeca-hydro-oxireno[2',3':6,7]naphtho-[1,2-b]furan-6-yl (Z)-2-methyl-but-2-enoate extracted from Ferula persica.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","474","477","10.1107/S205698902300333X","","","1.54184","CuKα","","0.0315","0.0313","","","0.0819","0.0821","","","","","","1.045","","","","has coordinates,has Fobs","284383","2023-06-06","05:34:11",""
"2022753","9.1689","0.0005","22.8882","0.001","11.0743","0.0005","90","","103.043","0.005","90","","2264.09","0.19","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(μ-4-tert-butoxy-4-oxobut-2-en-2-olato)bis[(4-tert-butoxy-4-oxobut-2-en-2-olato)ethanolzinc(II)]","","- C36 H64 O14 Zn2 -","- C36 H64 O14 Zn2 -","- C72 H128 O28 Zn4 -","2","0.5","YZ2031","Shtokvysh, Olherd O.; Dyakonenko, Viktoriya V.; Koval, Lyudmila I.; Pekhnyo, Vasyl I.","Crystal structure and Hirshfeld surface analysis of bis-(μ-4-tert-but-oxy-4-oxobut-2-en-2-olato)bis-[(4-tert-but-oxy-4-oxobut-2-en-2-olato)ethano-lzinc(II)].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","478","481","10.1107/S2056989023003377","","","0.71073","MoKα","","0.0902","0.0605","","","0.1361","0.1535","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","284388","2023-06-06","05:35:37",""
"2022754","7.1592","0.0002","9.0048","0.0002","10.8678","0.0003","82.779","0.002","76.016","0.002","75.078","0.002","655.42","0.03","100","2","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","3-(Benzo[d]thiazol-2-yl)-6-methyl-2H-chromen-2-one","","- C17 H11 N O2 S -","- C17 H11 N O2 S -","- C34 H22 N2 O4 S2 -","2","1","YZ2033","Abdallah, Amira E. M.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 3-(benzo[d]thia-zol-2-yl)-6-methyl-2H-chromen-2-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","504","507","10.1107/S205698902300347X","","x-ray","1.54184","CuKα","","0.0357","0.0353","","","0.1017","0.1023","","","","","","1.065","","","","has coordinates,has Fobs","284371","2023-06-06","05:31:17",""
"2022755","8.10683","0.00006","19.2001","0.00015","14.49754","0.0001","90","","90.8104","0.0007","90","","2256.34","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-[2-(5-Methylfuran-2-yl)phenyl]-3-nitro-N-[(3-nitrophenyl)sulfonyl]benzenesulfonamide","","- C23 H17 N3 O9 S2 -","- C23 H17 N3 O9 S2 -","- C92 H68 N12 O36 S8 -","4","1","TX2067","Mammadova, Gunay Z.; Annadurdyyeva, Selbi; Burkin, Gleb M.; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of N-[2-(5-methyl-furan-2-yl)phen-yl]-3-nitro-N-[(3-nitro-phen-yl)sulfon-yl]benzene-sulfonamide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","499","503","10.1107/S2056989023003523","","","1.54184","CuKα","","0.0376","0.0363","","","0.0991","0.1004","","","","","","1.069","","","","has coordinates,has Fobs","284374","2023-06-06","05:31:56",""
"2022756","13.3305","0.0005","6.8212","0.0003","20.9547","0.0008","90","","106.681","0.001","90","","1825.23","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[aqua{2-[(E)-(1-cyano-2-imino-2-methoxyethylidene)hydrazinyl]benzenesulfonato}sodium]-di-μ-aqua] dihydrate]","","- C10 H19 N4 Na O9 S -","- C10 H19 N4 Na O9 S -","- C40 H76 N16 Na4 O36 S4 -","4","1","WM5680","Aliyeva, Vusala A.; Aliyeva, Fargana S.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya","Synthesis and crystal structure of catena-poly[[[aqua-{2-[(E)-(1-cyano-2-imino-2-meth-oxy-ethyl-idene)hydrazin-yl]benzene-sulfonato}-sodium]-di-μ-aqua] dihydrate].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","508","511","10.1107/S2056989023003602","","","0.71073","MoKα","","0.0321","0.028","","","0.0771","0.0808","","","","","","1.066","","","","has coordinates,has Fobs","284373","2023-06-06","05:31:44",""
"2022757","9.5796","0.0003","9.5104","0.0003","9.796","0.0003","90","","107.645","0.001","90","","850.48","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Diiodidobis[(methylsulfanyl)benzene-κS]platinum(II)","","- C14 H16 I2 Pt S2 -","- C14 H16 I2 Pt S2 -","- C28 H32 I4 Pt2 S4 -","2","0.5","JY2030","Schmidt, Annika; Jourdain, Isabelle; Knorr, Michael; Strohmann, Carsten","Crystal structure and Hirshfeld analysis of trans-di-iodido-bis-[(methyl-sulfan-yl)benzene-κS]platinum(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","516","520","10.1107/S2056989023003717","","x-ray","0.71073","MoKα","","0.0214","0.0207","","","0.0521","0.0525","","","","","","1.17","","","","has coordinates,has Fobs","284375","2023-06-06","05:32:14",""
"2022758","12.953","0.0003","8.7657","0.0002","11.7723","0.0003","90","","100.457","0.001","90","","1314.45","0.05","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N-(4-Fluorophenyl)-N-isopropyl-2-(methylsulfonyl)acetamide","N-(4-Fluorophenyl)-2-(methylsulfonyl)-N-(propan-2-yl)acetamide","","- C12 H16 F N O3 S -","- C12 H16 F N O3 S -","- C48 H64 F4 N4 O12 S4 -","4","1","HB8062","Geetha, Doreswamy; Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Srinivasa, Gejjalagere R.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-fluoro-phen-yl)-N-isopropyl-2-(methyl-sulfon-yl)acetamide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","512","515","10.1107/S2056989023003675","","","0.71073","MoKα","","0.0373","0.031","","","0.0746","0.0785","","","","","","1.054","","","","has coordinates,has Fobs","284384","2023-06-06","05:34:28",""
"2022759","18.0187","0.0009","6.4455","0.0003","18.7315","0.001","90","","111.181","0.003","90","","2028.5","0.18","193.15","","193.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-Phenyl-1H-1,3-benzodiazol-2(3H)-one","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","1","VM2281","Hong, Dabeen; Lee, Kyounghoon","Polymorphic structures of 3-phenyl-1H-1,3-benzo-diazol-2(3H)-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","534","537","10.1107/S2056989023003961","","","0.71073","MoKα","","0.0498","0.0407","","","0.099","0.1042","","","","","","1.066","","","","has coordinates,has Fobs","285049","2023-07-06","18:17:43",""
"2022760","13.7925","0.0003","7.2652","0.0001","19.7956","0.0004","90","","90","","90","","1983.62","0.06","193.15","","193.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","1","VM2281","Hong, Dabeen; Lee, Kyounghoon","Polymorphic structures of 3-phenyl-1H-1,3-benzo-diazol-2(3H)-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","534","537","10.1107/S2056989023003961","","","0.71073","MoKα","","0.0438","0.0391","","","0.0955","0.0989","","","","","","1.018","","","","has coordinates,has Fobs","285049","2023-07-06","18:17:44",""
"2022761","17.1588","0.0007","7.091","0.0003","32.1594","0.001","90","","102.338","0.003","90","","3822.6","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-4-{[4-(Diethylamino)benzylidene]amino}-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C22 H26 N4 O -","- C22 H26 N4 O -","- C176 H208 N32 O8 -","8","1","","Shankar, M. G.; Kumaravel, R.; Subashini, A.; Ramamurthi, K.; Kučeráková, Monika; Dušek, Michal; Stoeckli-Evans, Helen","Syntheses, crystal structures, Hirshfeld surface analyses and energy frameworks of two 4-amino-anti-pyrine Schiff base compounds: (E)-4-{[4-(di-ethyl-amino)-benzyl-idene]amino}-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one and (E)-4-[(4-fluoro-benzyl-idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","538","544","10.1107/S2056989023004085","","","1.5418","CuKα","","0.0424","0.0357","","","0.0885","0.0934","","","","","","1.056","","","","has coordinates,has Fobs","285052","2023-07-06","18:18:22",""
"2022762","6.7886","0.0013","16.6007","0.0003","26.9563","0.0008","90","","90","","90","","3037.9","0.6","95","2","95","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-4-[(4-Fluorobenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 F N3 O -","- C18 H16 F N3 O -","- C144 H128 F8 N24 O8 -","8","1","","Shankar, M. G.; Kumaravel, R.; Subashini, A.; Ramamurthi, K.; Kučeráková, Monika; Dušek, Michal; Stoeckli-Evans, Helen","Syntheses, crystal structures, Hirshfeld surface analyses and energy frameworks of two 4-amino-anti-pyrine Schiff base compounds: (E)-4-{[4-(di-ethyl-amino)-benzyl-idene]amino}-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one and (E)-4-[(4-fluoro-benzyl-idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","538","544","10.1107/S2056989023004085","","","0.71073","MoKα","","0.0613","0.0419","","","0.0915","0.1008","","","","","","1.048","","","","has coordinates,has Fobs","285052","2023-07-06","18:18:23",""
"2022763","10.3378","0.0004","19.4299","0.0007","10.5128","0.0004","90","","91.666","0.001","90","","2110.73","0.14","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(Phenylsulfonyl)-5,6-dihydrobenzo[4,5]thieno[3,2-j]phenanthridine","","- C26 H19 N O2 S2 -","- C26 H19 N O2 S2 -","- C104 H76 N4 O8 S8 -","4","1","ZN2028","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","The synthesis, crystal structure and Hirshfeld surface analysis of the thio-phene derivatives 5-(phenyl-sulfon-yl)-5,6-di-hydro-benzo[4,5]thieno[3,2-j]phenanthridine and (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]phen-yl}-N-(prop-2-yn-1-yl)benzene-sulfonamide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","521","525","10.1107/S2056989023003821","","","0.71073","MoKα","","0.0474","0.0385","","","0.0988","0.1074","","","","","","1.083","","","","has coordinates,has Fobs","285055","2023-07-06","18:19:25",""
"2022764","10.0085","0.0004","8.6474","0.0003","24.9024","0.001","90","","91.56","0.002","90","","2154.44","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N-{2-[2-(Benzo[b]thiophen-2-yl)ethenyl]phenyl}-\ N-(prop-2-yn-1-yl)benzenesulfonamide","","- C25 H19 N O2 S2 -","- C25 H19 N O2 S2 -","- C100 H76 N4 O8 S8 -","4","1","ZN2028","Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K.","The synthesis, crystal structure and Hirshfeld surface analysis of the thio-phene derivatives 5-(phenyl-sulfon-yl)-5,6-di-hydro-benzo[4,5]thieno[3,2-j]phenanthridine and (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]phen-yl}-N-(prop-2-yn-1-yl)benzene-sulfonamide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","521","525","10.1107/S2056989023003821","","","1.54178","CuKα","","0.0598","0.053","","","0.1645","0.1758","","","","","","1.081","","","","has coordinates,has Fobs","285055","2023-07-06","18:19:31",""
"2022765","7.89079","0.00013","16.499","0.0003","13.1394","0.0003","90","","90","","90","","1710.62","0.06","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2-Amino-6-[(1-phenylethyl)amino]-4-(thiophen-2-yl)pyridine-3,5-dicarbonitrile","","- C19 H15 N5 S -","- C19 H15 N5 S -","- C76 H60 N20 S4 -","4","1","VM2282","Naghiyev, Farid N.; Khrustalev, Victor N.; Asadov, Khammed A.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 2-amino-6-[(1-phenyl-eth-yl)amino]-4-(thio-phen-2-yl)pyridine-3,5-dicarbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","526","530","10.1107/S2056989023003845","","","1.54184","CuKα","","0.0366","0.0358","","","0.0952","0.0958","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","285056","2023-07-06","18:19:46",""
"2022766","8.9485","0.0008","5.0612","0.0005","20.949","0.002","90","","96.585","0.007","90","","942.52","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-[(4-Methylbenzyl)oxy]-N'-(4-nitrobenzylidene)benzohydrazide","","- C22 H19 N3 O4 -","- C22 H19 N3 O4 -","- C44 H38 N6 O8 -","2","1","WM5682","Banna, Md Hasan Al; Sheikh, Md Chanmiya; Miyatake, Ryuta; Howlader, Md Belayet Hossain; Zangrando, Ennio","Crystal structure of 4-[(4-methyl-benz-yl)-oxy]-N'-(4-nitro-benzyl-idene)benzohydrazide: a new hydrazone derivative.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","531","533","10.1107/S2056989023003948","","","0.71075","MoKα","","0.0867","0.0528","","","0.1136","0.1255","","","","","","1.035","","","","has coordinates,has Fobs","285061","2023-07-06","18:21:38",""
"2022767","9.949","0.0004","19.9223","0.0008","10.2378","0.0004","90","","97.616","0.004","90","","2011.3","0.14","120","","120","","","","","","","","local laboratory","4","I 1 a 1","I -2ya","9","","1-(4,5-Dimethoxy-2,3-dinitrophenyl)-2-methylpropyl N-butylcarbamate","","- C17 H25 N3 O8 -","- C17 H25 N3 O8 -","- C68 H100 N12 O32 -","4","1","EX2069","Honda, Takafumi; Ito, Michiko; Yamaguchi, Kazuo; Kasuga, Noriko Chikaraishi; Sato, Hiroyasu","Synthesis and structure of photodegradable 1-(4,5-dimeth-oxy-2,3-di-nitro-phen-yl)-2-methyl-propyl N-butyl-carbamate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","549","551","10.1107/S2056989023004103","","x-ray","0.71073","MoKα","","0.0608","0.0448","","","0.0869","0.0939","","","","","","1.035","","","","has coordinates,has Fobs","285050","2023-07-06","18:17:54",""
"2022768","6.8724","0.0014","33.502","0.007","7.3449","0.0015","90","","117.238","0.003","90","","1503.6","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-Benzo[d][1,3]dioxole-5-carbaldehyde oxime","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C64 H56 N8 O24 -","8","2","HB8064","Radhakrishnan, Rengaraj; Mustaphi, Nour El Hoda; Sebbar, Nada Kheira; Mague, Joel T.; Thiruvalluvar, Aravazhi Amalan","Synthesis, crystal structure and Hirshfeld surface analysis of (E)-benzo[d][1,3]dioxole-5-carbaldehyde oxime.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","545","548","10.1107/S2056989023004139","","","0.71073","MoKα","","0.0659","0.0458","","","0.1178","0.1265","","","","","","1.047","","","","has coordinates,has Fobs","285051","2023-07-06","18:18:09",""
"2022769","10.8996","0.0007","13.97","0.0008","14.1351","0.0009","63.253","0.002","71.16","0.002","67.954","0.002","1750.38","0.19","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","5-(Trifluoromethyl)-1,3,4-thiadiazol-2(3H)-one","","- C3 H F3 N2 O S -","- C3 H F3 N2 O S -","- C36 H12 F36 N24 O12 S12 -","12","6","VM2283","Geetha, Doreswamy; Mohan Kumar, Thaluru M.; Anil Kumar, Haleyur G.; Shreenivas, Mellekatte T.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Synthesis and crystal structure studies of 5-(tri-fluoro-meth-yl)-1,3,4-thia-diazol-2(3H)-one at 180 K.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","557","561","10.1107/S2056989023004267","","","0.71073","MoKα","","0.0472","0.0366","","","0.0826","0.0899","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","285059","2023-07-06","18:20:57",""
"2022770","16.816","0.003","4.7848","0.001","20.123","0.004","90","","105.96","0.03","90","","1556.7","0.6","297","2","297","2","","","","","","","","5","I 1 a 1","I -2ya","9","","2-(Benzylsulfanyl)-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazole","","- C17 H17 N3 O S -","- C17 H17 N3 O S -","- C68 H68 N12 O4 S4 -","4","1","","Okmanov, Rasul Ya; Ziyaev, Abdukhakim A.; Abdukarimov, Azimboy Sh; Toshmurodov, Turdibek T.; Kholikov, Tursunali S.","Syntheses, crystal structures and Hirshfeld surface analysis of 2-(benzyl-sulfan-yl)-5-[4-(di-methyl-amino)-phen-yl]-1,3,4-oxa-diazole and 2-[(2-chloro-6-fluoro-benz-yl)sulfan-yl]-5-[4-(di-methyl-amino)-phen-yl]-1,3,4-oxa-diazole.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","552","556","10.1107/S2056989023004164","","","1.54184","CuKα","","0.0337","0.0322","","","0.0869","0.0885","","","","","","1.043","","","","has coordinates,has Fobs","285060","2023-07-06","18:21:21",""
"2022771","16.308","0.003","7.9787","0.0016","13.072","0.003","90","","103.33","0.03","90","","1655.1","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-[(2-Chloro-6-fluorobenzyl)sulfanyl]-5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazole","","- C17 H15 Cl F N3 O S -","- C17 H15 Cl F N3 O S -","- C68 H60 Cl4 F4 N12 O4 S4 -","4","1","","Okmanov, Rasul Ya; Ziyaev, Abdukhakim A.; Abdukarimov, Azimboy Sh; Toshmurodov, Turdibek T.; Kholikov, Tursunali S.","Syntheses, crystal structures and Hirshfeld surface analysis of 2-(benzyl-sulfan-yl)-5-[4-(di-methyl-amino)-phen-yl]-1,3,4-oxa-diazole and 2-[(2-chloro-6-fluoro-benz-yl)sulfan-yl]-5-[4-(di-methyl-amino)-phen-yl]-1,3,4-oxa-diazole.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","552","556","10.1107/S2056989023004164","","","1.54184","CuKα","","0.0435","0.0388","","","0.1024","0.1062","","","","","","1.048","","","","has coordinates,has Fobs","285060","2023-07-06","18:21:25",""
"2022772","16.82625","0.00015","16.73298","0.00017","26.7833","0.0003","90","","105.216","0.0011","90","","7276.56","0.13","295","1","295","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2-[3-(1H-Benzimidazol-2-yl)propyl]-1H-benzimidazol-3-ium 3,4,5-trihydroxybenzoate–1,3-bis(1H-benzimidazol-2-yl)propane–ethyl acetate (2/1/2.94)","","- C65 H60 N12 O10 -","- C65 H60 N12 O10 -","- C260 H240 N48 O40 -","4","0.5","WM5683","Palacios Rodríguez, José Carlos; Mendoza, Angel; Sosa Rivadeneyra, Martha; Bernès, Sylvain","2-[3-(1H-Benzimidazol-2-yl)prop-yl]-1H-benzimidazol-3-ium 3,4,5-tri-hydroxy-benzoate-1,3-bis-(1H-benzimidazol-2-yl)propane-ethyl acetate (2/1/2.94): co-crystallization between a salt, a neutral mol-ecule and a solvent.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","562","566","10.1107/S2056989023004279","","x-ray","0.71073","MoKα","","0.0661","0.0494","","","0.1373","0.1493","","","","","","1.062","","","","has coordinates,has Fobs","285053","2023-07-06","18:18:44",""
"2022773","12.0401","0.0006","15.4829","0.0007","11.2543","0.0006","90","","105.719","0.0017","90","","2019.52","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(2-phthalimidoethyl)ammonium chloride dihydrate","Bis[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium chloride dihydrate","","- C20 H22 Cl N3 O6 -","- C20 H22 Cl N3 O6 -","- C80 H88 Cl4 N12 O24 -","4","1","EX2070","Young, Barry S.; Lee, Jamie L.; Gembicky, Milan; Bailey, Jake; Smith, Gary L. N.","Synthesis and crystal structure of bis-(2-phthal-imido-eth-yl)ammonium chloride dihydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","575","577","10.1107/S2056989023004565","","x-ray","0.71073","MoKα","","0.0421","0.031","","","0.0717","0.0767","","","","","","1.033","","","","has coordinates,has Fobs","285054","2023-07-06","18:18:58",""
"2022774","9.87885","0.00012","10.46018","0.00013","11.48307","0.00012","100.93","0.001","105.305","0.0011","112.679","0.0012","997.81","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-Oxo-7-phenyl-2-(phenylamino)-1H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile dimethyl sulfoxide monosolvate","","- C22 H18 N6 O2 S -","- C22 H18 N6 O2 S -","- C44 H36 N12 O4 S2 -","2","1","TX2068","Naghiyev, Farid N.; Khrustalev, Victor N.; Mamedov, Huseyn M.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl-amino)-1H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbo-nitrile dimethyl sulfoxide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","567","570","10.1107/S2056989023004383","","","1.54184","CuKα","","0.0393","0.0382","","","0.1052","0.1061","","","","","","1.075","","","","has coordinates,has Fobs","285057","2023-07-06","18:20:07",""
"2022775","6.8588","0.0001","10.7797","0.0002","15.7707","0.0002","90","","91.251","0.001","90","","1165.74","0.03","106.15","","106.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-[(2,3,5,6-Tetrafluoropyridin-4-yl)amino]ethyl methacrylate","2-[(2,3,5,6-Tetrafluoropyridin-4-yl)amino]ethyl 2-methylprop-2-enoate","","- C11 H10 F4 N2 O2 -","- C11 H10 F4 N2 O2 -","- C44 H40 F16 N8 O8 -","4","1","HB8066","Overstreet, Shayla M. J.; Genzia, Ian M.; Nguyen, Alexander; Auleciems, Zachary J.; Jennings, Abby R.; Peloquin, Andrew J.","Synthesis and crystal structure of 2-[(2,3,5,6-tetra-fluoro-pyridin-4-yl)amino]-ethyl methacrylate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","571","574","10.1107/S2056989023004334","","","0.71073","MoKα","","0.0417","0.0352","","","0.0867","0.0903","","","","","","1.057","","","","has coordinates,has Fobs","285058","2023-07-06","18:20:28",""
"2022832","8.6495","0.0004","8.6593","0.0004","13.1882","0.0006","90","","107.415","0.001","90","","942.5","0.08","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[4-(2-aminoethyl)morpholine-κ^2^N,N']diaquanickel(II) dichloride","","- C12 H32 Cl2 N4 Ni O4 -","- C12 H32 Cl2 N4 Ni O4 -","- C24 H64 Cl4 N8 Ni2 O8 -","2","0.5","XI2027","Chidambaranathan, Balasubramanian; Sivaraj, Settu; Vijayamathubalan, Pandy; Selvakumar, Shanmugam","Synthesis, crystal structure and Hirshfeld surface analysis of bis-[4-(2-amino-eth-yl)morpholine-κ2 N,N']di-aqua-nickel(II) dichloride.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","226","230","10.1107/S2056989023001470","","","1.54178","CuKα","","0.0598","0.0588","","","0.1642","0.1653","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","286252","2023-09-06","23:05:12",""
"2022857","4.7033","0.0002","11.1113","0.0006","11.3876","0.0005","81.759","0.002","83.356","0.002","85.564","0.002","583.89","0.05","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","Methyl 2-oxo-1-(prop-2-ynyl)-1,2-dihydroquinoline-4-carboxylate","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C28 H22 N2 O6 -","2","1","WM5688","El-Mrabet, Ayoub; Haoudi, Amal; Dalbouha, Samira; Skalli, Mohamed Khalid; Hökelek, Tuncer; Capet, Frederic; Kandri Rodi, Youssef; Mazzah, Ahmed; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, inter-action energy and energy framework calculations, as well as density functional theory (DFT) com-putation, of methyl 2-oxo-1-(prop-2-yn-yl)-1,2-di-hydro-quinoline-4-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","883","889","10.1107/S2056989023007557","","","0.71073","MoKα","","0.0635","0.0466","","","0.1405","0.1479","","","","","","1.109","","","","has coordinates,has Fobs","287469","2023-11-07","12:00:08",""
"2022866","7.2881","0.0002","22.0453","0.0008","10.2761","0.0003","90","","90.28","0.003","90","","1651.02","0.09","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-2-[(Benzo[d]thiazol-2-ylimino)methyl]-5-(diethylamino)phenol","","- C18 H19 N3 O S -","- C18 H19 N3 O S -","- C72 H76 N12 O4 S4 -","4","1","PK2698","Le Thi Hong, Hai; Le Phuong, Thao; Van Pham, Thong; Minh Thi Nguyen, Hue; Van Meervelt, Luc","Unusual reaction of (E)-2-[(benzo[d]thia-zol-2-yl-imino)-meth-yl]-5-(di-ethyl-amino)-phenol with tri-phenyl-borane: crystal structures and optical properties.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","982","987","10.1107/S2056989023008514","","x-ray","0.71073","MoKα","","0.0667","0.0528","","","0.1283","0.1375","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","288127","2023-12-07","11:47:32",""
"2022867","10.6725","0.0005","11.8934","0.0004","16.1411","0.0007","86.207","0.003","87.553","0.004","88.394","0.003","2041.82","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","N,N-Diethyl-2,2-diphenyl-2H-1,3λ^3^,2λ^4^-benzodioxaborinin-7-amine","7-(Diethylamino)-2,2-diphenyl-1,3-dioxa-2-borata-1,2-dihydronaphthalene","","- C23 H24 B N O2 -","- C23 H24 B N O2 -","- C92 H96 B4 N4 O8 -","4","2","","Le Thi Hong, Hai; Le Phuong, Thao; Van Pham, Thong; Minh Thi Nguyen, Hue; Van Meervelt, Luc","Unusual reaction of (E)-2-[(benzo[d]thia-zol-2-yl-imino)-meth-yl]-5-(di-ethyl-amino)-phenol with tri-phenyl-borane: crystal structures and optical properties.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","982","987","10.1107/S2056989023008514","","x-ray","0.71073","MoKα","","0.1228","0.069","","","0.1632","0.1957","","","","","","1.051","","","","has coordinates,has Fobs","288127","2023-12-07","11:47:33",""
"2022868","6.8537","0.0005","7.0873","0.0006","14.5145","0.0006","95.746","0.005","91.156","0.004","115.002","0.007","634.23","0.08","293","","293","","","","","","","","","5","P -1","-P 1","2","","Bis(3-carboxy-1-methylpyridinium) octabromide","","- C14 H16 Br8 N2 O4 -","- C14 H16 Br8 N2 O4 -","- C14 H16 Br8 N2 O4 -","1","0.5","WM5697","Sirenko, Valerii Y.; Naumova, Dina D.; Golenya, Irina A.; Shova, Sergiu; Gural'skiy, Il'ya A.","Crystal structure of bis-(3-carb-oxy-1-methyl-pyrid-inium) octa-bromide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","977","981","10.1107/S2056989023008460","","","0.71073","MoKα","","0.0975","0.0473","","","0.062","0.0748","","","","","","1.0231","","","","has coordinates,has Fobs","288138","2023-12-07","11:50:03",""
"2022869","8.09","0.0001","9.5772","0.0001","12.24","0.0001","70.242","0.001","76.004","0.001","83.86","0.001","865.693","0.017","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Bis(μ-2-methylpyridine N-oxide-κ^2^O:O)bis[dibromido(2-methylpyridine N-oxide-κO)cobalt(II)] butanol monosolvate","","- C28 H38 Br4 Co2 N4 O5 -","- C28 H38 Br4 Co2 N4 O5 -","- C28 H38 Br4 Co2 N4 O5 -","1","0.5","PK2697","Näther, Christian; Jess, Inke","Synthesis, crystal structure and reactivity of bis-(μ-2-methyl-pyridine N-oxide-κ2O:O)bis-[di-bromido-(2-methyl-pyridine N-oxide-κO)cobalt(II)] butanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","972","976","10.1107/S2056989023008228","","x-ray","1.54184","CuKα","","0.0245","0.0244","","","0.0648","0.0649","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","288152","2023-12-07","11:52:20",""
"2022870","15.084","0.005","11.418","0.004","17.097","0.006","90","","91.097","0.009","90","","2944.1","1.8","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-Bis{(2E)-N-phenyl-2-[(2E)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamidato-κ^2^N^1^,S}palladium(II)","","- C32 H28 N6 Pd S2 -","- C32 H28 N6 Pd S2 -","- C128 H112 N24 Pd4 S8 -","4","1","","de Melo, Ana Paula Lopes; Martins, Bianca Barreto; Bresolin, Leandro; Tirloni, Bárbara; de Oliveira, Adriano Bof","Synthesis, crystal structure and Hirshfeld analysis of trans-bis-{(2E)-N-phenyl-2-[(2E)-3-phenyl-2-propen-1-yl-idene]hydrazinecarbo-thio-amidato-κ2N1,S}palladium(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","993","998","10.1107/S2056989023008654","","x-ray","0.71073","MoKα","","0.036","0.0255","","","0.0582","0.0628","","","","","","1.048","","","","has coordinates,has Fobs","288133","2023-12-07","11:49:09",""
"2022871","8.4623","0.0002","5.6487","0.00016","17.4536","0.0004","90","","98.786","0.002","90","","824.51","0.04","199.99","0.11","199.99","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[N-(5-methyl-1H-pyrazol-3-yl-κN^2^)carbamato-κO]copper(II) tetrahydrate","","- C10 H20 Cu N6 O8 -","- C10 H20 Cu N6 O8 -","- C20 H40 Cu2 N12 O16 -","2","0.5","TX2076","Sirenko, Valerii Y.; Kuzevanova, Iryna S.; Vynohradov, Oleksandr S.; Naumova, Dina D.; Shova, Sergiu","Carbon dioxide capture from air leading to bis-[N-(5-methyl-1H-pyrazol-3-yl-κN2)carbamato-κO]copper(II) tetra-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","988","992","10.1107/S2056989023008575","","","1.54184","CuKα","","0.0487","0.0413","","","0.11","0.1184","","","","","","1.048","","","","has coordinates,has Fobs","288141","2023-12-07","11:50:33",""
"2022872","11.6286","0.0005","8.6913","0.0004","15.818","0.0007","90","","110.38","0.005","90","","1498.62","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[(4-Acetylphenyl)carbamoyl]phenyl acetate","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","DJ2060","Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Srour, Aladdin M.","Synthesis, crystal structure and in vitro anti-proliferative activity of 2-[(4-acetyl-phen-yl)carbamo-yl]phenyl acetate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","999","1002","10.1107/S2056989023008526","","","1.54184","CuKα","","0.0509","0.0427","","","0.1229","0.1337","","","","","","1.032","","","","has coordinates,has Fobs","288147","2023-12-07","11:51:22",""
"2022873","9.8242","0.0005","10.6574","0.0006","19.2507","0.0011","90","","97.75","0.0018","90","","1997.15","0.19","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibenzylammonium hydrogen (4-aminophenyl)arsonate monohydrate","","- C20 H25 As N2 O4 -","- C20 H24.88 As N2 O4 -","- C80 H99.52 As4 N8 O16 -","4","1","DJ2065","Traoré, Bocar; Diallo, Waly; Sidibé, Mamadou; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Crystal structure of di-benzyl-ammonium hydrogen (4-amino-phen-yl)arsonate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1003","1007","10.1107/S205698902300837X","","x-ray","0.71073","MoKα","","0.0272","0.0219","","","0.0512","0.054","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","288149","2023-12-07","11:51:50",""
"2022908","9.1318","0.0001","9.1318","0.0001","17.1558","0.0002","90","","90","","120","","1238.95","0.02","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","Dicesium gadolinium hexaniobium pentadecachloride trioxide","","","- Cl15 Cs2 Gd Nb6 O3 -","- Cl15 Cs2 Gd Nb6 O3 -","- Cl30 Cs4 Gd2 Nb12 O6 -","2","0.166667","WM5695","Silaban, Saronom; Haryani, Maefa Eka; Gulo, Fakhili; Perrin, Christiane","Crystal structure of Cs2GdNb6Cl15O3 in the structural evolution of niobium oxychlorides with octa-hedral Nb6-cluster units.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1008","1011","10.1107/S205698902300871X","","","0.71073","MoKα","","0.0347","0.0292","","","0.0652","0.0677","","","","","","1.149","","","","has coordinates,has Fobs","288139","2023-12-07","11:50:10",""
"2022909","13.3292","0.0006","11.1365","0.0005","28.5973","0.0012","90","","90","","90","","4245","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(Anthracen-9-yl)-1-(tert-butyldimethylsilyl)-3,6-dihydro-1λ^4^,2λ^4^-azaborinine","","- C24 H30 B N Si -","- C24 H30 B N Si -","- C192 H240 B8 N8 Si8 -","8","1","VM2290","Gliese, Philipp J.; Appiarius, Yannik; Scheele, Tarek; Lork, Enno; Neudecker, Tim; Staubitz, Anne","Synthesis and crystal structure of 2-(anthracen-9-yl)-1-(tert-butyl-dimethyl-sil-yl)-3,6-di-hydro-1λ4,2λ4-aza-borinine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1012","1016","10.1107/S2056989023008381","","x-ray","0.71073","MoKα","","0.0541","0.0421","","","0.098","0.1033","","","","","","1.068","","","","has coordinates,has Fobs","288144","2023-12-07","11:50:58",""
"2022910","14.804","0.0011","12.4631","0.0006","19.4486","0.0008","90","","90","","90","","3588.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bromido(pyrrolidine-κN)gold(I) bis(pyrrolidine-κN)gold(I) bromide","","- C12 H27 Au2 Br2 N3 -","- C12 H27 Au2 Br2 N3 -","- C96 H216 Au16 Br16 N24 -","8","1","YZ2040","Döring, Cindy; Jones, Peter G.","Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1017","1027","10.1107/S205698902300854X","","","0.71073","MoKα","","0.082","0.0512","","","0.1161","0.1298","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","288153","2023-12-07","11:52:48",""
"2022911","8.47646","0.00016","6.57436","0.00011","16.9961","0.0003","90","","93.5133","0.0016","90","","945.37","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Trichlorido(piperidine-κN)gold(III)","","- C5 H11 Au Cl3 N -","- C5 H11 Au Cl3 N -","- C20 H44 Au4 Cl12 N4 -","4","1","YZ2040","Döring, Cindy; Jones, Peter G.","Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1017","1027","10.1107/S205698902300854X","","","0.71073","MoKα","","0.0187","0.0165","","","0.0292","0.0296","","","","","","1.132","","","","has coordinates,has Fobs","288153","2023-12-07","11:52:59",""
"2022912","19.4014","0.0015","9.7612","0.0006","19.1922","0.0011","90","","90","","90","","3634.6","0.4","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","Bis(piperidinium) tetrachloridoaurate(III) chloride","","- C10 H24 Au Cl5 N2 -","- C10 H24 Au Cl5 N2 -","- C80 H192 Au8 Cl40 N16 -","8","1","YZ2040","Döring, Cindy; Jones, Peter G.","Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1017","1027","10.1107/S205698902300854X","","","0.71073","MoKα","","0.0864","0.0414","","","0.0572","0.0674","","","","","","1.021","","","","has coordinates,has Fobs","288153","2023-12-07","11:53:01",""
"2022913","19.1275","0.0007","9.4396","0.0013","18.9259","0.0017","90","","90","","90","","3417.2","0.6","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","Bis(pyrrolidinium) tetrabromidoaurate(III) bromide","","- C8 H20 Au Br5 N2 -","- C8 H20 Au Br5 N2 -","- C64 H160 Au8 Br40 N16 -","8","0.5","YZ2040","Döring, Cindy; Jones, Peter G.","Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1017","1027","10.1107/S205698902300854X","","","0.71073","MoKα","","0.0504","0.034","","","0.0608","0.0652","","","","","","1.077","","","","has coordinates,has Fobs","288153","2023-12-07","11:53:11",""
"2022914","7.3473","0.0003","22.086","0.0008","8.5066","0.0003","90","","96.423","0.003","90","","1371.72","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tribromido(piperidine-κN)gold(III) dichloromethane monosolvate","","- C6 H13 Au Br3 Cl2 N -","- C6 H13 Au Br3 Cl2 N -","- C24 H52 Au4 Br12 Cl8 N4 -","4","1","YZ2040","Döring, Cindy; Jones, Peter G.","Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1017","1027","10.1107/S205698902300854X","","","0.71073","MoKα","","0.0317","0.0242","","","0.0373","0.0385","","","","","","1.15","","","","has coordinates,has Fobs","288153","2023-12-07","11:53:13",""
"2022915","14.7726","0.0009","16.2952","0.0011","26.1406","0.0015","90","","98.791","0.007","90","","6218.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis-urea derivative based on A1/A2-functionalized pillar[5]arene dimethylformamide monosolvate","","- C66 H77 N5 O13 -","- C66 H77 N5 O13 -","- C264 H308 N20 O52 -","4","1","JQ2032","Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F","Crystal structure and supra-molecular features of a bis-urea-functionalized pillar[5]arene.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1044","1048","10.1107/S2056989023009003","","","0.71075","MoKα","","0.1302","0.0525","","","0.1267","0.1569","","","","","","0.931","","","","has coordinates,has disorder,has Fobs","288131","2023-12-07","11:48:49",""
"2022916","8.8639","0.0004","9.1035","0.0005","9.2106","0.0005","66.004","0.002","73.603","0.002","70.161","0.002","629.63","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Diacetatobis[4-(2-aminoethyl)morpholine]cadmium tetrahydrate","","- C16 H42 Cd N4 O10 -","- C16 H42 Cd N4 O10 -","- C16 H42 Cd N4 O10 -","1","0.5","JQ2030","Chidambaranathan, B.; Sivaraj, S.; Vijayamathubalan, P.; Selvakumar, S.","Synthesis, crystal structure and Hirshfeld surface analysis of di-acetato-bis-[4-(2-amino-eth-yl)morpholine]cadmium tetra-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1049","1054","10.1107/S2056989023008782","","","0.71073","MoKα","","0.0225","0.0223","","","0.0554","0.0556","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","288134","2023-12-07","11:49:19",""
"2022917","7.2179","0.0006","9.5043","0.0008","11.9945","0.0009","90","","97.584","0.002","90","","815.64","0.11","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,4-Dihydro-1λ^6^,4-benzothiazine-1,1,3-trione","2H-Benzo[b][1,4]thiazin-3(4H)-one 1,1-dioxide","","- C8 H7 N O3 S -","- C8 H7 N O3 S -","- C32 H28 N4 O12 S4 -","4","1","WM5698","Irrou, Ezaddine; Ait Elmachkouri, Younesse; Mazzah, Ahmed; Hökelek, Tuncer; Haoudi, Amal; Mague, Joel T.; Taha, Mohamed Labd; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface and crystal void analysis, inter-molecular inter-action energies, DFT calculations and energy frameworks of 2H-benzo[b][1,4]thia-zin-3(4H)-one 1,1-dioxide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1037","1043","10.1107/S205698902300868X","","","0.71073","MoKα","","0.0268","0.0252","","","0.0733","0.0744","","","","","","1.042","","","","has coordinates,has Fobs","288136","2023-12-07","11:49:43",""
"2022918","25.4076","0.0008","9.9854","0.0002","22.357","0.0008","90","","120.265","0.005","90","","4899","0.4","240","2","240","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[tetraaqua(μ-1,3,4,7,8,10,12,13,16,17,19,22-dodecaazatetracyclo[8.8.4.1^3,17^.1^8,12^]tetracosane-5,6,14,15,20,21-hexaonato)iron(IV)dilithium] tetrahydrate]","","- C12 H28 Fe Li2 N12 O14 -","- C12 H28 Fe Li2 N12 O14 -","- C96 H224 Fe8 Li16 N96 O112 -","8","1","TX2074","Plutenko, Maksym O.; Shova, Sergiu; Pavlenko, Vadim A.; Golenya, Irina A.; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of poly[[tetra-aqua-(μ-1,3,4,7,8,10,12,13,16,17,19,22-dodeca-aza-tetra-cyclo-[8.8.4.13,17.18,12]tetra-cosane-5,6,14,15,20,21-hexaonato)iron(IV)dilithium] tetra-hydrate].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1059","1062","10.1107/S2056989023008587","","","0.71073","MoKα","","0.0453","0.0345","","","0.0789","0.0856","","","","","","1.047","","","","has coordinates,has Fobs","288143","2023-12-07","11:50:48",""
"2022919","20.5385","0.0005","8.1977","0.0002","12.3185","0.0003","90","","105.231","0.001","90","","2001.19","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(12-Bromododecyl)indoline-2,3-dione","","- C20 H28 Br N O2 -","- C20 H28 Br N O2 -","- C80 H112 Br4 N4 O8 -","4","1","HB8077","Rharmili, Nohaila; Abdellaoui, Omar; Haoudi, Amal; Mague, Joel T.; Hökelek, Tuncer; Ouazzani Chahdi, Fouad; Kandri Rodi, Youssef; Mazzah, Ahmed; Sebbar, Nada Kheira","Synthesis, crystal structure and Hirshfeld surface analysis of 1-(12-bromo-dodec-yl)indoline-2,3-dione.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1033","1036","10.1107/S2056989023009052","","","1.54178","CuKα","","0.0323","0.0303","","","0.0822","0.0839","","","","","","1.06","","","","has coordinates,has Fobs","288146","2023-12-07","11:51:14",""
"2022920","13.0134","0.0002","34.9495","0.0005","39.4864","0.0006","90","","90","","90","","17958.9","0.5","110","2","110","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","(μ-Hydrogen disulfato)-μ-oxido-bis[(4,4'-di-tert-butyl-2,2'-bipyridine)oxidovanadium(IV/V)] acetonitrile monosolvate","","- C38 H52 N5 O11 S2 V2 -","- C38 H52 N5 O11 S2 V2 -","- C608 H832 N80 O176 S32 V32 -","16","0.5","NX2001","Kodama, Shintaro; Hashiguchi, Terushi; Nomoto, Akihiro","Crystal structure of (μ-hydrogen di-sulfato)-μ-oxido-bis-[(4,4'-di-tert-butyl-2,2'-bi-pyridine)-oxidovanadium(IV/V)] aceto-nitrile monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1055","1058","10.1107/S2056989023009040","","","0.71073","MoKα","","0.0534","0.0431","","","0.1054","0.1101","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","288148","2023-12-07","11:51:35",""
"2022921","7.7421","0.0002","10.1612","0.0002","10.1749","0.0003","72.143","0.002","73.252","0.003","68.004","0.002","692.67","0.03","100.1","0.3","100.1","0.3","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-1,2-bis(pyridin-4-yl)ethene-κ^2^N:N'-μ-bromido-copper(I)] 1,2-bis(pyridin-4-yl)ethene 0.25-solvate]","","- C15 H12.5 Br Cu N2.5 -","- C15 H12.5 Br Cu N2.5 -","- C30 H25 Br2 Cu2 N5 -","2","1","HB8078","Näther, Christian; Müller-Meinhard, Asmus; Jess, Inke","Synthesis, crystal structure and thermal properties of poly[[μ-1,2-bis-(pyridin-4-yl)ethene-κ2N:N'-μ-bromido-copper(I)] 1,2-bis-(pyridin-4-yl)ethene 0.25-solvate].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1028","1032","10.1107/S205698902300885X","","x-ray","1.54184","CuKα","","0.0296","0.0293","","","0.0753","0.0755","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","288151","2023-12-07","11:52:10",""
"2022922","8.4178","0.0004","13.1915","0.0007","16.4645","0.0009","91.823","0.003","93.269","0.002","104.534","0.002","1764.87","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-{[2,6-Bis(hydroxymethyl)-4-methylphenoxy]methyl}-3,5-bis{[(4,6-\ dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene formamide monosolvate","","- C39 H53 N5 O4 -","- C39 H53 N5 O4 -","- C78 H106 N10 O8 -","2","1","EX2075","Stapf, Manuel; Schmidt, Ute; Seichter, Wilhelm; Mazik, Monika","Synthesis and crystal structures of two solvates of 1-{[2,6-bis-(hy-droxy-meth-yl)-4-methyl-phen-oxy]meth-yl}-3,5-bis-{[(4,6-di-methyl-pyridin-2-yl)amino]meth-yl}-2,4,6-tri-ethyl-benzene.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1067","1071","10.1107/S2056989023009155","","","0.71073","MoKα","","0.0888","0.0594","","","0.1563","0.1759","","","","","","1.027","","","","has coordinates,has Fobs","288129","2023-12-07","11:48:20",""
"2022923","8.6241","0.0002","11.1755","0.0002","20.127","0.0004","102.268","0.0012","98.8911","0.001","92.9034","0.001","1865.73","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-{[2,6-Bis(hydroxymethyl)-4-methylphenoxy]methyl}-3,5-bis{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene–n-propanol–water (1/0.777/0.223)","","- C40.33 H56.22 N4 O4 -","- C40.331 H56.216 N4 O4 -","- C80.662 H112.432 N8 O8 -","2","1","","Stapf, Manuel; Schmidt, Ute; Seichter, Wilhelm; Mazik, Monika","Synthesis and crystal structures of two solvates of 1-{[2,6-bis-(hy-droxy-meth-yl)-4-methyl-phen-oxy]meth-yl}-3,5-bis-{[(4,6-di-methyl-pyridin-2-yl)amino]meth-yl}-2,4,6-tri-ethyl-benzene.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1067","1071","10.1107/S2056989023009155","","","0.71073","MoKα","","0.0632","0.045","","","0.1075","0.1186","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","288129","2023-12-07","11:48:20",""
"2022924","20.0425","0.0014","9.8589","0.0006","17.1167","0.0009","90","","105.172","0.004","90","","3264.3","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(9-mesityl-9,10-dihydro-10-aza-9-borabenzo[h]quinolinato-κ^2^N^1^,N^10^)zinc(II)","","- C40 H36 B2 N4 Zn -","- C40 H36 B2 N4 Zn -","- C160 H144 B8 N16 Zn4 -","4","0.5","DJ2071","Appiarius, Yannik; Puylaert, Pim; Staubitz, Anne","Synthesis and crystal structure of bis-(9-mesityl-9,10-di-hydro-10-aza-9-borabenzo[h]quinolinato-κ2N1,N10)zinc(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1063","1066","10.1107/S2056989023009192","","","0.71073","MoKα","","0.05","0.0363","","","0.0891","0.0974","","","","","","1.057","","","","has coordinates,has Fobs","288150","2023-12-07","11:52:01",""
"2022925","7.0845","0.0004","10.4369","0.0006","21.6298","0.0011","90","","91.878","0.002","90","","1598.45","0.15","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(Naphthalen-2-yl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C88 H56 N8 O4 -","4","1","DJ2070","Bui, Thai Thanh Thu; Mac, Dinh Hung; Quang Trung, Pham; Pham, Chien Thang","Crystal structure of 4-(naphthalen-2-yl)-2-oxo-6-phenyl-1,2-di-hydro-pyridine-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1076","1078","10.1107/S2056989023009180","","","0.71073","MoKα","","0.0686","0.0479","","","0.1099","0.1225","","","","","","1.061","","","","has coordinates,has Fobs","288135","2023-12-07","11:49:28",""
"2022926","12.7613","0.0003","7.7054","0.0001","13.4641","0.0003","90","","111.554","0.002","90","","1231.36","0.05","563.15","","563.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(o-phenylenediamine-κ^2^N,N')nickel(II) naphthalene-1,5-disulfonate","","- C22 H26 N4 Ni O8 S2 -","- C22 H26 N4 Ni O8 S2 -","- C44 H52 N8 Ni2 O16 S4 -","2","0.5","WM5701","Suyunov, Jabbor R.; Turaev, Khayit Kh; Alimnazarov, Bekmurod Kh; Nazarov, Yusuf E.; Mengnorov, Islombek J.; Ibragimov, Bakhtiyar T.; Ashurov, Jamshid M.","Synthesis, crystal structure and Hirshfeld surface analysis of di-aqua-bis-(o-phenyl-enedi-amine-κ2N,N')nickel(II) naphthalene-1,5-di-sulfonate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1083","1087","10.1107/S2056989023009350","","x-ray","1.54184","CuKα","","0.0391","0.036","","","0.0948","0.0971","","","","","","1.044","","","","has coordinates,has Fobs","288137","2023-12-07","11:49:56",""
"2022927","5.6642","0.0013","16.519","0.006","14.414","0.006","90","","90.73","0.02","90","","1348.6","0.8","106","2","106","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(2,6-Diisopropylphenyl)-1H-imidazole","","- C15 H20 N2 -","- C15 H20 N2 -","- C60 H80 N8 -","4","1","OI2001","Dudeja, Neil; Arreaga, Briana C.; Brannon, Jacob P.; Stieber, S Chantal E","Crystal structure of 1-(2,6-diiso-propyl-phen-yl)-1H-imidazole.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1079","1082","10.1107/S2056989023009179","","","0.71073","MoKα","","0.0428","0.0396","","","0.0967","0.099","","","","","","1.085","","","","has coordinates,has Fobs","288140","2023-12-07","11:50:26",""
"2022928","5.9425","0.0002","11.4831","0.0004","3.46425","0.00012","90","","90","","90","","236.395","0.014","294","2","294","2","","","","","","","synthesised by authors, see text","3","P b a m","-P 2 2ab","55","","Yttrium chromium tetraboride","","- B4 Cr Y -","- B4 Cr Y -","- B16 Cr4 Y4 -","4","0.5","PK2696","Tokuda, Makoto; Yubuta, Kunio; Shishido, Toetsu; Sugiyama, Kazumasa","Redetermination of the crystal structure of yttrium chromium tetra-boride, YCrB4, from single-crystal X-ray diffraction data.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1072","1075","10.1107/S2056989023008952","","","0.71073","MoKα","","0.0222","0.0146","","","0.028","0.0292","","","","","","1.114","","","","has coordinates,has Fobs","288142","2023-12-07","11:50:40",""
"2022929","20.3549","0.0002","10.2084","0.0001","13.031","0.0001","90","","90","","90","","2707.72","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakis(pyridine-3-carbonitrile)dithiocyanatoiron(II)","","- C26 H16 Fe N10 S2 -","- C26 H16 Fe N10 S2 -","- C104 H64 Fe4 N40 S8 -","4","1","HB8079","Näther, Christian; Müller-Meinhard, Asmus; Jess, Inke","Synthesis, crystal structure and properties of tetra-kis-(pyridine-3-carbo-nitrile)-dithio-cyanatoiron(II) and of diaqua-bis-(pyridine-3-carbo-nitrile)-di-thio-cyanatoiron(II) pyridine-3-carbo-nitrile monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1093","1099","10.1107/S205698902300909X","","x-ray","1.54178","CuKα","","0.0269","0.0267","","","0.0736","0.0738","","","","","","1.063","","","","has coordinates,has Fobs","288128","2023-12-07","11:47:48",""
"2022930","8.1065","0.0001","8.288","0.0001","11.4347","0.0002","84.765","0.001","77.787","0.001","70.826","0.001","709.021","0.018","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","Diaquabis(pyridine-3-carbonitrile)dithiocyanatoiron(II) pyridine-3-carbonitrile monosolvate","","- C26 H20 Fe N10 O2 S2 -","- C26 H20 Fe N10 O2 S2 -","- C26 H20 Fe N10 O2 S2 -","1","0.5","","Näther, Christian; Müller-Meinhard, Asmus; Jess, Inke","Synthesis, crystal structure and properties of tetra-kis-(pyridine-3-carbo-nitrile)-dithio-cyanatoiron(II) and of diaqua-bis-(pyridine-3-carbo-nitrile)-di-thio-cyanatoiron(II) pyridine-3-carbo-nitrile monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1093","1099","10.1107/S205698902300909X","","x-ray","1.54184","CuKα","","0.0215","0.0215","","","0.06","0.06","","","","","","1.146","","","","has coordinates,has Fobs","288128","2023-12-07","11:47:58",""
"2022931","8.83222","0.00018","9.9714","0.0002","12.1043","0.0002","90","","97.6408","0.0019","90","","1056.56","0.04","200","0.2","200","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(3-amino-1H-pyrazole-κN^2^)bis(5-amino-1H-pyrazole-κN^2^)bis(nitrato-κO)copper(II)","bis(3-aminopyrazole-κN^1^)bis(3-aminoyrazole-\ κN^2^)bis(nitrato-κO)copper(II)","","- C12 H20 Cu N14 O6 -","- C12 H20 Cu N14 O6 -","- C24 H40 Cu2 N28 O12 -","2","0.5","WM5699","Kucheriv, Olesia I.; Golenya, Irina A.; Prysiazhna, Olena; Partsevska, Sofiia V.; Gural'skiy, Il'ya A.","Crystal structure and Hirshfeld surface analysis of bis-(3-aminopyrazole-κN1)bis-(3-aminopyrazole-κN2)bis-(nitrato-κO)copper(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1100","1103","10.1107/S2056989023009295","","x-ray","1.54184","CuKα","","0.0426","0.0381","","","0.1108","0.1137","","","","","","1.107","","","","has coordinates,has Fobs","288130","2023-12-07","11:48:31",""
"2022932","5.8357","0.0004","13.6362","0.0009","15.4653","0.001","97.595","0.003","96.957","0.003","99.771","0.003","1189.13","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,9,11,18,20,27-Hexaaza-1,10,19-triboraheptacyclo[18.7.0.0^2,10^.0^3,8^.0^11,19^.0^12,17^.0^21,26^]heptacosa-3(8),4,6,12(17),13,15,21(26),22,24-nonaene","Triazatriborinotris[1,3,2]benzodiazaborole acetone disolvate","","- C24 H27 B3 N6 O2 -","- C24 H27 B3 N6 O2 -","- C48 H54 B6 N12 O4 -","2","1","EX2077","Streeter, Cole; Wheeler, Kraig A.; Lamm, Ashley N.","Crystal structure and Hirshfeld surface analysis of tri-aza-triborinotris[1,3,2]benzodi-aza-borole acetone disolvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1104","1108","10.1107/S2056989023009337","","x-ray","1.54178","CuKα","","0.046","0.0386","","","0.0896","0.0948","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","288132","2023-12-07","11:48:58",""
"2022933","24.0655","0.0018","3.7704","0.0003","27.4258","0.0019","90","","99.481","0.008","90","","2454.5","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methyl-1H-imidazol-3-ium 3,5-dicarboxybenzoate","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C104 H96 N16 O48 -","8","1","JQ2031","Baletska, Sofiia; Techert, Simone; Velazquez-Garcia, Jose de Jesus","Crystal structure of 2-methyl-1H-imidazol-3-ium 3,5-di-carb-oxy-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1088","1092","10.1107/S2056989023009209","","","0.71073","MoKα","","0.0566","0.0392","","","0.0931","0.1029","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","288145","2023-12-07","11:51:06",""
"2022959","10.1905","0.0006","10.1905","0.0006","14.4709","0.001","90","","90","","90","","1502.75","0.16","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","Magnesium lithium boride (1.11/1.89/47.60)","","- B47.6 Li1.89 Mg1.11 -","- B47.61 Li1.913 Mg1.087 -","- B190.44 Li7.652 Mg4.348 -","4","0.5","NU2001","Pavlyuk, Nazar; Milashius, Viktoria; Kordan, Vasyl; Pavlyuk, Volodymyr","Synthesis, crystal structure and hydrogenation properties of MgxLi3 - xB48 - y (x = 1.11, y = 0.40).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","10","13","10.1107/S2056989023009969","","","0.71073","MoKα","","0.0572","0.0531","","","0.1256","0.1294","","","","","","0.995","","","","has coordinates,has Fobs","289681","2024-02-05","12:05:06",""
"2022960","28.4313","0.0007","7.6516","0.0002","29.5461","0.0009","90","","90","","90","","6427.6","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chloridobis{N-[(4-methoxyphenyl)imino]pyrrolidine-1-carboxamide}zinc(II) (acetonitrile)trichloridozincate","","- C26 H33 Cl4 N7 O4 Zn2 -","- C26 H33 Cl4 N7 O4 Zn2 -","- C208 H264 Cl32 N56 O32 Zn16 -","8","1","YY2008","Tiwari, Laxmi; Waynant, Kristopher V.","The synthesis and structural properties of a chlorido-bis-{N-[(4-meth-oxy-phen-yl)imino]-pyrrolidine-1-carboxamide}-zinc(II) (aceto-nitrile)-trichlorido-zincate coordination complex.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","14","17","10.1107/S2056989023010447","","x-ray","0.71073","MoKα","","0.0673","0.0457","","","0.0953","0.1039","","","","","","1.151","","","","has coordinates,has Fobs","289695","2024-02-05","12:09:04",""
"2022961","10.6474","0.0003","13.2429","0.0003","11.4176","0.0003","90","","99.067","0.001","90","","1589.79","0.07","100","2","100","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","3-{1-[(2-Hydroxyphenyl)methyl]-1H-1,3-benzodiazol-2-yl}phenol","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","ZN2033","Bouhidel, Zakaria; Sahli, Kaouther; Cherouana, Aouatef","Crystal structure and Hirshfeld surface analysis of a new benzimidazole compound, 3-{1-[(2-hy-droxyphen-yl)meth-yl]-1H-1,3-benzo-diazol-2-yl}phenol.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","18","21","10.1107/S2056989023010368","","","0.71073","MoKα","","0.1017","0.059","","","0.1624","0.1897","","","","","","1.059","","","","has coordinates","289679","2024-02-05","12:04:47",""
"2022962","15.8584","0.0011","5.3693","0.0004","8.8636","0.0006","90","","99.994","0.007","90","","743.27","0.09","286","","286","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Biphenyl-4,4'-disulfonato-bis(aqualithium)","","- C12 H12 Li2 O8 S2 -","- C12 H12 Li2 O8 S2 -","- C24 H24 Li4 O16 S4 -","2","0.5","JP2001","Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro","Crystal structure of dilithium biphenyl-4,4'-di-sulfonate dihydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","22","24","10.1107/S2056989023010411","","","0.71075","MoKα","","0.0683","0.0606","","","0.1551","0.1593","","","","","","1.122","","","","has coordinates,has Fobs","289680","2024-02-05","12:04:56",""
"2022963","8.26968","0.0001","12.50096","0.00014","12.76743","0.00016","116.955","0.0012","104.842","0.001","91.0281","0.001","1123.39","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-{[5-Amino-1-(4-methylbenzene-1-sulfonyl)-1H-pyrazol-3-yl]oxy}-1-(4-methoxyphenyl)ethan-1-one 1,4-dioxane monosolvate","2-[(5-Amino-1-tosyl-1H-pyrazol-3-yl)oxy]-1-(4-methoxyphenyl)ethan-1-one 1,4-dioxane monosolvate","","- C23 H27 N3 O7 S -","- C23 H27 N3 O7 S -","- C46 H54 N6 O14 S2 -","2","1","YZ2045","Metwally, Nadia H.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 2-[(5-amino-1-tosyl-1H-pyrazol-3-yl)-oxy]-1-(4-meth-oxy-phen-yl)ethan-1-one 1,4-dioxane monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","29","33","10.1107/S205698902301054X","","","0.71073","MoKα","","0.0314","0.0266","","","0.0838","0.0865","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","289682","2024-02-05","12:05:21",""
"2022964","15.5352","0.0002","11.5178","0.0001","16.0472","0.0002","90","","107.616","0.002","90","","2736.7","0.06","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diammonium {μ-1,3,4,7,8,10,12,13,16,17,19,22-dodecaazatetracyclo[8.8.4.1^3,17^.1^8,12^]tetracosane-5,6,14,15,20,21-hexaonato}ferrate(IV) acetic acid trisolvate","","- C18 H32 Fe N14 O12 -","- C18 H32 Fe N14 O12 -","- C72 H128 Fe4 N56 O48 -","4","0.5","WM5703","Plutenko, Maksym O.; Shylin, Sergii I.; Shova, Sergiu; Blinder, Aleksander V.; Fritsky, Igor O.","Crystal structure of a water oxidation catalyst solvate with composition (NH4)2[FeIV(L-6H)]·3CH3COOH (L = clathrochelate ligand).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","25","28","10.1107/S2056989023010514","","","0.71073","MoKα","","0.0246","0.024","","","0.0639","0.0643","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","289684","2024-02-05","12:05:43",""
"2022965","8.05892","0.00017","11.1342","0.0002","15.0596","0.0004","90","","97.004","0.002","90","","1341.21","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido(tripropylphosphane sulfide-κS)gold","","- C9 H21 Au Cl P S -","- C9 H21 Au Cl P S -","- C36 H84 Au4 Cl4 P4 S4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0191","0.0148","","","0.0301","0.0315","","","","","","1.077","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022966","26.953","0.003","8.1226","0.0004","18.69","0.002","90","","132.03","0.02","90","","3039.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(tert-butyl)(propan-2-yl)tripropylphosphane sulfide-κS]chloridogold","","- C11 H25 Au Cl P S -","- C11 H25 Au Cl P S -","- C88 H200 Au8 Cl8 P8 S8 -","8","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.027","0.021","","","0.0409","0.043","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","289690","2024-02-05","12:07:56",""
"2022967","8.45319","0.00017","10.904","0.0003","8.7166","0.0002","90","","93.583","0.002","90","","801.87","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Chlorido(tri-tert-butylphosphane sulfide-κS)gold","","- C12 H27 Au Cl P S -","- C12 H27 Au Cl P S -","- C24 H54 Au2 Cl2 P2 S2 -","2","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0214","0.0188","","","0.0324","0.0332","","","","","","1.035","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022968","8.0938","0.0002","11.3088","0.0004","14.9798","0.0006","90","","96.403","0.002","90","","1362.57","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido(tripropylphosphane selenide-κSe)gold","","- C9 H21 Au Cl P Se -","- C9 H21 Au Cl P Se -","- C36 H84 Au4 Cl4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0391","0.025","","","0.0351","0.038","","","","","","1.063","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022969","8.2215","0.0002","11.3519","0.0003","15.24","0.0004","90","","92.389","0.004","90","","1421.11","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(tert-Butyl)bis(propan-2-yl)phosphane selenide-κSe]chloridogold","","- C10 H23 Au Cl P Se -","- C10 H23 Au Cl P Se -","- C40 H92 Au4 Cl4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0314","0.021","","","0.0406","0.0437","","","","","","1.064","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022970","7.64505","0.0001","14.6437","0.0002","13.7211","0.0002","90","","90.4954","0.0012","90","","1536.04","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(tert-butyl)(propan-2-yl)phosphane selenide-κSe]chloridogold","","- C11 H25 Au Cl P Se -","- C11 H25 Au Cl P Se -","- C44 H100 Au4 Cl4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0243","0.0203","","","0.0408","0.0423","","","","","","1.058","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022971","8.1898","0.0002","11.1421","0.0003","15.3064","0.0004","90","","97.394","0.002","90","","1385.12","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bromido(tripropylphosphane sulfide-κS)gold","","- C9 H21 Au Br P S -","- C9 H21 Au Br P S -","- C36 H84 Au4 Br4 P4 S4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0275","0.0188","","","0.0302","0.0318","","","","","","1.057","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022972","27.3157","0.001","8.16931","0.00013","18.8362","0.0007","90","","132.187","0.007","90","","3114.5","0.4","101","2","101","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(tert-butyl)(propan-2-yl)tripropylphosphane sulfide-κS]bromidogold","","- C11 H25 Au Br P S -","- C11 H25 Au Br P S -","- C88 H200 Au8 Br8 P8 S8 -","8","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0182","0.0153","","","0.0311","0.032","","","","","","1.078","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022973","8.3107","0.0006","13.482","0.0005","14.7591","0.0009","90","","90.424","0.006","90","","1653.64","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromido(tri-tert-butylphosphane sulfide-κS)gold","","- C12 H27 Au Br P S -","- C12 H27 Au Br P S -","- C48 H108 Au4 Br4 P4 S4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0486","0.0373","","","0.0791","0.0842","","","","","","1.043","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022974","8.225","0.00014","11.31793","0.00017","15.2065","0.0003","90","","96.6895","0.0016","90","","1405.94","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bromido(tripropylphosphane selenide-κSe)gold","","- C9 H21 Au Br P Se -","- C9 H21 Au Br P Se -","- C36 H84 Au4 Br4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0205","0.0152","","","0.0282","0.0293","","","","","","1.073","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022975","11.5037","0.0002","15.244","0.0002","16.8366","0.0002","90","","90.053","0.002","90","","2952.51","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromido[(tert-butyl)bis(propan-2-yl)phosphane selenide-κSe]gold","","- C10 H23 Au Br P Se -","- C10 H23 Au Br P Se -","- C80 H184 Au8 Br8 P8 Se8 -","8","2","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0272","0.0215","","","0.0385","0.0398","","","","","","1.09","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022976","7.66804","0.00008","14.77026","0.00016","13.94963","0.00015","90","","90.4697","0.001","90","","1579.87","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(tert-butyl)(propan-2-yl)phosphane selenide-κSe]bromidogold","","- C11 H25 Au Br P Se -","- C11 H25 Au Br P Se -","- C44 H100 Au4 Br4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0378","0.0327","","","0.0799","0.0832","","","","","","1.069","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022977","8.29705","0.00016","13.6959","0.0003","14.6444","0.0003","90","","90.0892","0.0018","90","","1664.12","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bromido(tri-tert-butylphosphane selenide-κSe)gold","","- C12 H27 Au Br P Se -","- C12 H27 Au Br P Se -","- C48 H108 Au4 Br4 P4 Se4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0288","0.0226","","","0.0418","0.0433","","","","","","1.111","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:56",""
"2022978","8.601","0.0002","15.0435","0.0003","11.7218","0.0002","90","","91.202","0.002","90","","1516.34","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(tert-Butyl)bis(propan-2-yl)phosphane sulfide-κS]iodidogold","","- C10 H23 Au I P S -","- C10 H23 Au I P S -","- C40 H92 Au4 I4 P4 S4 -","4","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0221","0.0178","","","0.0316","0.0327","","","","","","1.12","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:57",""
"2022979","11.70073","0.00016","15.4167","0.0002","17.048","0.0002","90","","89.6296","0.0012","90","","3075.17","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(tert-Butyl)bis(propan-2-yl)phosphane selenide-κSe]iodidogold","","- C10 H23 Au I P Se -","- C10 H23 Au I P Se -","- C80 H184 Au8 I8 P8 Se8 -","8","2","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0273","0.0216","","","0.0388","0.0403","","","","","","1.063","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:57",""
"2022980","10.7755","0.0002","10.7755","0.0002","28.3769","0.0005","90","","90","","90","","3294.88","0.1","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","[Bis(tert-butyl)(propan-2-yl)phosphane selenide-κSe]iodidogold","","- C11 H25 Au I P Se -","- C11 H25 Au I P Se -","- C88 H200 Au8 I8 P8 Se8 -","8","1","YZ2044","Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza","Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","34","49","10.1107/S2056989023010459","","","0.71073","MoKα","","0.0327","0.032","","","0.0782","0.0784","","","","","","1.421","","","","has coordinates,has Fobs","289690","2024-02-05","12:07:57",""
"2022981","13.6801","0.0013","10.7078","0.0011","22.035","0.002","90","","102.553","0.004","90","","3150.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido(2-{[(2-methoxyethyl)(methyl)amino]methyl}benzylidene)ruthenium","","- C33 H43 Cl2 N3 O Ru -","- C33 H43 Cl2 N3 O Ru -","- C132 H172 Cl8 N12 O4 Ru4 -","4","1","","Mammadova, Gunay Z.; Atioğlu, Zeliha; Akkurt, Mehmet; Grigoriev, Mikhail S.; Volchkov, Nikita S.; Azizova, Asmet N.; Bhattarai, Ajaya; Antonova, Alexandra S.","Crystal structure of [1,3-bis-(2,4,6-tri-methyl-phen-yl)imidazolidin-2-yl-idene]di-chlorido-(2-{[(2-methoxyeth-yl)(meth-yl)amino]-meth-yl}benzyl-idene)ruth-en-ium.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","50","53","10.1107/S2056989023010381","","","0.71073","MoKα","","0.0514","0.032","","","0.0634","0.0702","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","289692","2024-02-05","12:08:24",""
"2022982","12.52978","0.00009","18.87277","0.00012","10.63916","0.00007","90","","109.409","0.0008","90","","2372.88","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dimethyl 4-hydroxy-5,4'-dimethyl-2'-(toluene-4-sulfonylamino)biphenyl-2,3-dicarboxylate","Dimethyl 4-hydroxy-5,4'-dimethyl-2'-{[(4-methylphenyl)sulfonyl]amino}biphenyl-\ 2,3-dicarboxylate","","- C25 H25 N O7 S -","- C25 H25 N O7 S -","- C100 H100 N4 O28 S4 -","4","1","JY2041","Guliyeva, Narmina A.; Burkin, Gleb M.; Annadurdyyeva, Selbi; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of dimethyl 4-hy-droxy-5,4'-dimethyl-2'-(toluene-4-sulfonyl-amino)-biphenyl-2,3-di-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","62","66","10.1107/S205698902301071X","","","1.54184","CuKα","","0.0345","0.0334","","","0.0866","0.0875","","","","","","1.034","","","","has coordinates,has Fobs","289683","2024-02-05","12:05:33",""
"2022983","7.74413","0.00003","7.74413","0.00003","53.4131","0.0003","90","","90","","90","","3203.27","0.03","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","3-Benzyl-2-[bis(1H-pyrrol-2-yl)methyl]thiophene","","- C20 H18 N2 S -","- C20 H18 N2 S -","- C160 H144 N16 S8 -","8","2","JY2043","Sadikhova, Nurlana D.; Atioğlu, Zeliha; Guliyeva, Narmina A.; Shelukho, Evgeniya R.; Polyanskaya, Darya K.; Khrustalev, Victor N.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis(1H-pyrrol-2-yl)methyl]thiophene.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","72","77","10.1107/S2056989023010800","","","1.54184","CuKα","","0.0294","0.029","","","0.0765","0.077","","","","","","1.029","","","","has coordinates,has Fobs","289685","2024-02-05","12:05:57",""
"2022984","7.67386","0.00011","7.66462","0.00009","18.8755","0.0002","90","","97.4258","0.0012","90","","1100.89","0.02","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[(μ-2-methylpyridine N-oxide-κ^2^O:O)bis(μ-thiocyanato-κ^2^N:S)cobalt(II)]","","- C8 H7 Co N3 O S2 -","- C8 H7 Co N3 O S2 -","- C32 H28 Co4 N12 O4 S8 -","4","1","PK2699","Näther, Christian; Jess, Inke","Synthesis, crystal structure and properties of poly[(μ-2-methyl-pyridine N-oxide-κ2O:O)bis-(μ-thio-cyanato-κ2N:S)cobalt(II)].","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","67","71","10.1107/S2056989023010721","","x-ray","1.54184","CuKα","","0.029","0.0287","","","0.0654","0.0655","","","","","","1.173","","","","has coordinates,has disorder,has Fobs","289686","2024-02-05","12:06:06",""
"2022985","7.1566","0.0004","14.1907","0.0009","16.2737","0.001","90","","91.329","0.002","90","","1652.27","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Diethyl (3aS,3a1R,4S,5S,6R,6aS,7R,9aS)-3a1,5,6,6a-tetrahydro-1H,3H,4H,7H-3a,6:7,9a-diepoxybenzo[de]isochromene-4,5-dicarboxylate","","- C18 H22 O7 -","- C18 H22 O7 -","- C72 H88 O28 -","4","1","JY2042","Sadikhova, Nurlana D.; Atioğlu, Zeliha; Guliyeva, Narmina A.; Podrezova, Alexandra G.; Nikitina, Eugeniya V.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of dieth-yl (3aS,3a1R,4S,5S,6R,6aS,7R,9aS)-3a1,5,6,6a-tetra-hydro-1H,3H,4H,7H-3a,6:7,9a-di-epoxy-benzo[de]isochromene-4,5-di-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","83","87","10.1107/S2056989023010794","","","0.71073","MoKα","","0.0709","0.0459","","","0.104","0.1185","","","","","","1.026","","","","has coordinates,has Fobs","289687","2024-02-05","12:06:15",""
"2022986","8.8689","0.0004","8.4361","0.0003","21.7319","0.0009","90","","90","","90","","1625.96","0.12","250","0.5","250","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxyanilinium chloride","","- C7 H10 Cl N O -","- C7 H10 Cl N O -","- C56 H80 Cl8 N8 O8 -","8","1","HB8089","Uppu, Rao M.; Babu, Sainath; Fronczek, Frank R.","Temperature-dependent solid-state phase transition with twinning in the crystal structure of 4-meth-oxy-anilinium chloride.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","58","61","10.1107/S2056989023010812","","","0.71073","MoKα","","0.0607","0.0411","","","0.0927","0.1015","","","","","","1.08","","","","has coordinates,has Fobs","289688","2024-02-05","12:06:33",""
"2022987","8.3039","0.0006","21.6993","0.0015","8.8495","0.0006","90","","90.077","0.002","90","","1594.58","0.19","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxyanilinium chloride","","- C7 H10 Cl N O -","- C7 H10 Cl N O -","- C56 H80 Cl8 N8 O8 -","8","2","HB8089","Uppu, Rao M.; Babu, Sainath; Fronczek, Frank R.","Temperature-dependent solid-state phase transition with twinning in the crystal structure of 4-meth-oxy-anilinium chloride.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","58","61","10.1107/S2056989023010812","","","0.71073","MoKα","","0.0428","0.0329","","","0.0719","0.0749","","","","","","1.059","","","","has coordinates,has Fobs","289688","2024-02-05","12:06:34",""
"2022988","10.4638","0.0003","13.4495","0.0004","13.734","0.0004","90","","90","","90","","1932.83","0.1","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Morpholinoformamidinium hexafluorophosphate","","- C5 H11 F6 N2 O P -","- C5 H11 F6 N2 O P -","- C40 H88 F48 N16 O8 P8 -","8","1","WM5706","Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh","Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","88","93","10.1107/S2056989023010848","","","1.54178","CuKα","","0.0265","0.0251","","","0.0702","0.0705","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","289689","2024-02-05","12:06:50",""
"2022989","10.4504","0.0014","13.717","0.0016","13.4157","0.0014","90","","90","","90","","1923.1","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Morpholinoformamidinium hexafluorophosphate","","- C5 H11 F6 N2 O P -","- C5 H11 F6 N2 O P -","- C40 H88 F48 N16 O8 P8 -","8","2","","Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh","Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","88","93","10.1107/S2056989023010848","","","0.71073","MoKα","","0.0537","0.0322","","","0.0769","0.0881","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","289689","2024-02-05","12:06:58",""
"2022990","12.3588","0.0003","12.7942","0.0003","12.2759","0.0003","90","","105.4","0.001","90","","1871.38","0.08","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Pyrrolidinoformamidinium hexafluorophosphate","","- C5 H11 F6 N2 P -","- C5 H11 F6 N2 P -","- C40 H88 F48 N16 P8 -","8","2","","Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh","Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","88","93","10.1107/S2056989023010848","","","1.54178","CuKα","","0.0492","0.0488","","","0.1343","0.1345","","","","","","1.074","","","","has coordinates,has Fobs","289689","2024-02-05","12:07:01",""
"2022991","9.267","0.003","13.178","0.004","15.053","0.005","90","","94.437","0.006","90","","1832.8","1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-Methylidene-1,2-dihydropyridinium-κN)tris(tetrahydrofuran-κO)lithium","","- C18 H30 Li N O3 -","- C18 H30 Li N O3 -","- C72 H120 Li4 N4 O12 -","4","1","HB8083","Mairath, Tristan; Schmidt, Annika; Strohmann, Carsten","Crystal structure and Hirshfeld surface analysis of 2-picolyllithium·3thf.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","78","82","10.1107/S2056989023010873","","","0.71073","MoKα","","0.0738","0.0524","","","0.1428","0.1585","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","289691","2024-02-05","12:08:14",""
"2022992","6.8465","0.0004","7.1097","0.0007","7.209","0.0005","79.267","0.007","83.193","0.006","64.076","0.008","309.8","0.05","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","Diaquabis(5-methyl-1H-1,2,4-triazole-3-carboxylato)copper(II)","","- C8 H12 Cu N6 O6 -","- C8 H12 Cu N6 O6 -","- C8 H12 Cu N6 O6 -","1","0.5","PK2702","Petrenko, Yuliia P.; Vynohradov, Oleksandr S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Shova, Sergiu; Lampeka, Rostyslav D.","Crystal structure and Hirshfeld-surface analysis of di-aqua-bis-(5-methyl-1H-1,2,4-triazole-3-carboxyl-ato)copper(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","54","57","10.1107/S2056989023010770","","","0.71073","MoKα","","0.0246","0.0243","","","0.0621","0.0624","","","","","","1.108","","","","has coordinates,has Fobs","289693","2024-02-05","12:08:33",""
"2022994","10.5283","0.0001","11.8583","0.0002","11.9401","0.0001","101.044","0.001","98.136","0.001","104.142","0.001","1390.69","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(dimethyl sulfoxide)tetrakis(μ-pyrene-1-carboxylato)dicopper(Cu—Cu)","","- C72 H48 Cu2 O10 S2 -","- C72 H48 Cu2 O10 S2 -","- C72 H48 Cu2 O10 S2 -","1","0.5","NY2001","Nogué-Guzmán, Vianca C; Burgos-Suazo, Alejandro; Rivera-Reyes, Javier O; Montes Quiñones, Vasti P; Ramis-Aybar, Paola C; Burgos-Jiménez, Adriana C; González-Nieves, Karilys; Piñero-Cruz, Dalice M","New copper carboxyl-ate pyrene dimers: synthesis, crystal structure, Hirshfeld surface analysis and electrochemical characterization.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","1","9","10.1107/S2056989023010277","","","1.54184","CuKα","","0.033","0.0316","","","0.0815","0.0823","","","","","","1.046","","","","has coordinates,has Fobs","289694","2024-02-05","12:08:44",""
"2022995","10.54266","0.00013","21.8888","0.0002","12.66517","0.00015","90","","100.116","0.0011","90","","2877.26","0.06","300","2","300.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(dimethylformamide)tetrakis(μ-pyrene-1-carboxylato)dicopper(Cu—Cu)","","- C74 H50 Cu2 N2 O10 -","- C74 H50 Cu2 N2 O10 -","- C148 H100 Cu4 N4 O20 -","2","0.5","","Nogué-Guzmán, Vianca C; Burgos-Suazo, Alejandro; Rivera-Reyes, Javier O; Montes Quiñones, Vasti P; Ramis-Aybar, Paola C; Burgos-Jiménez, Adriana C; González-Nieves, Karilys; Piñero-Cruz, Dalice M","New copper carboxyl-ate pyrene dimers: synthesis, crystal structure, Hirshfeld surface analysis and electrochemical characterization.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","1","9","10.1107/S2056989023010277","","","1.54184","CuKα","","0.0374","0.0314","","","0.0875","0.0909","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","289694","2024-02-05","12:08:44",""
"2022998","5.44832","0.00009","9.03714","0.00014","26.1141","0.0004","90","","92.9914","0.0014","90","","1284.03","0.04","100","2","100","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-[6-Amino-4-(methylsulfanyl)-1,2-dihydro-1,3,5-triazin-2-ylidene]benzenesulfonamide","","- C10 H11 N5 O2 S2 -","- C10 H11 N5 O2 S2 -","- C40 H44 N20 O8 S8 -","4","1","YZ2047","Mohamed-Ezzat, Reham A; Elgemeie, Galal H.; Jones, Peter G.","An unexpected tautomer: synthesis and crystal structure of N-[6-amino-4-(methyl-sulfan-yl)-1,2-di-hydro-1,3,5-triazin-2-yl-idene]benzenesulfonamide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","120","124","10.1107/S2056989023011076","","x-ray","1.54184","CuKα","","0.0312","0.0306","","","0.0845","0.085","","","","","","1.047","","","","has coordinates,has Fobs","290323","2024-03-05","20:41:46",""
"2022999","8.1674","0.0005","12.3033","0.0006","15.4877","0.0008","75.226","0.005","86.412","0.004","75.346","0.005","1455.89","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[aquabis(pyridine-κN)cadmium(II)]-μ~2~-4,4'-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ^4^O,O':O'',O'''] 4.5-hydrate]","","- C26 H30 Cd N5 O9.5 -","- C26 H30 Cd N5 O9.5 -","- C52 H60 Cd2 N10 O19 -","2","1","HB8090","Popovych, Anastasiia M.; Tsymbal, Liudmyla V.; Khomenko, Dmytro M.; Bargan, Alexandra; Lampeka, Yaroslaw D.; Lampeka, Rostislav D.","Synthesis and crystal structure of a cadmium(II) coordination polymer based on 4,4'-(1H-1,2,4-triazole-3,5-di-yl)dibenzoate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","128","132","10.1107/S2056989024000185","","x-ray","0.71073","MoKα","","0.0758","0.0519","","","0.0899","0.0993","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","290324","2024-03-05","20:41:56",""
"2023000","7.1189","0.0002","10.9687","0.0002","13.0678","0.0003","90","","100.426","0.002","90","","1003.55","0.04","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Piperonal, thiosemicarbazone","{[(E)-(1,3-Benzodioxol-5-yl)methylidene]amino}thiourea","","- C9 H9 N3 O2 S -","- C9 H9 N3 O2 S -","- C36 H36 N12 O8 S4 -","4","1","NX2003","Mesto, Ernesto; Okio, Coco K. Y. A.; Lemus, Maria Alejandra; Schingaro, Emanuela","{[(E)-(1,3-Benzodioxol-5-yl)methyl-idene]amino}thio-urea.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","125","127","10.1107/S2056989024000033","","","0.71073","MoKα","","0.0697","0.0402","","0.1035","0.0887","0.1035","","","","","","0.9525","","","","has coordinates,has Fobs","290325","2024-03-05","20:42:09",""
"2023001","7.9481","0.0007","12.8523","0.0013","14.8737","0.0015","96.651","0.004","96.96","0.003","90.548","0.003","1497.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-[2-(2-Amino-1-cyano-2-oxoethylidene)hydrazin-1-yl]benzoic acid N,N-dimethylformamide monosolvate","","- C13 H15 N5 O4 -","- C13 H15 N5 O4 -","- C52 H60 N20 O16 -","4","2","EJ2001","Hajiyeva, Sevinc R.; Huseynov, Fatali E.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (E)-2-[2-(2-amino-1-cyano-2-oxo-ethyl-idene)hydrazin-1-yl]benzoic acid N,N-di-methylformamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","110","116","10.1107/S2056989023011118","","","0.71073","MoKα","","0.1068","0.0632","","","0.1445","0.1856","","","","","","1.12","","","","has coordinates,has Fobs","290330","2024-03-05","20:42:51",""
"2023002","6.9527","0.0002","19.7112","0.0006","12.2466","0.0003","90","","90","","90","","1678.35","0.08","200","0.1","200","0.1","","","","","","","","5","I b c a","-I 2b 2c","73","","Dipotassium gadolinium(III) phosphate(V) molybdate(VI)","","- Gd K2 Mo O8 P -","- Gd K2 Mo O8 P -","- Gd8 K16 Mo8 O64 P8 -","8","0.5","OI2002","Zozulia, Valeriia; Terebilenko, Kateryna; Voinalovych, Artem; Potaskalov, Vadim; Slobodyanik, Mykola","Crystal structure of a layered phosphate molybdate K2Gd(PO4)(MoO4).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","117","119","10.1107/S2056989023011106","","x-ray","0.71073","MoKα","","0.0191","0.017","","","0.0443","0.0452","","","","","","1.132","","","","has coordinates,has Fobs","290333","2024-03-05","20:43:29",""
"2023003","35.908","0.004","6.8473","0.0006","13.2661","0.0011","90","","98.915","0.004","90","","3222.4","0.5","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-Oxo-2H-chromen-6-yl 4-tert-butylbenzoate","","- C20 H18 O4 -","- C20 H18 O4 -","- C160 H144 O32 -","8","1","HB8087","Kenfack Tsobnang, Patrice; Ziki, Eric; Siaka, Soso; Yoda, Jules; Kamal, Seham; Bouraima, Adam; Djifa Hounsi, Ayi; Wenger, Emmanuel; Bendeif, El-Eulmi; Lecomte, Claude","Synthesis, structure and Hirshfeld surface analysis of 2-oxo-2H-chromen-6-yl 4-tert-butyl-benzoate: work carried out as part of the AFRAMED project.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","106","109","10.1107/S2056989023011052","","","0.71073","MoKα","","0.0631","0.0442","","","0.1148","0.1238","","","","","","1.113","","","","has coordinates,has Fobs","290335","2024-03-05","20:43:44",""
"2023004","23.1656","0.0012","7.7041","0.0003","16.5664","0.0008","90","","110.896","0.006","90","","2762.1","0.2","291.8","0.11","292.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[hexa-μ-bromido-bis{2-[1-(pyridin-2-yl)ethylideneamino]ethanolato}\ tetracopper(II)]","","- C18 H22 Br6 Cu4 N4 O2 -","- C18 H23 Br6 Cu4 N4 O2 -","- C72 H92 Br24 Cu16 N16 O8 -","4","1","EX2076","Traoré, Bocar; Diouf, Ngoné; Kébé, Momath; Guéye-Sylla, Rokhaya; Thiam, Ibrahima Elhadji; Diouf, Ousmane; Retailleau, Pascal; Gaye, Mohamed","Crystal structure of poly[hexa-μ-bro-mido-bis{2-[1-(py-ri-din-2-yl)ethyl-idene-amino]ethanol-ato}tetracopper(II)].","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","133","136","10.1107/S2056989023011040","","","0.71073","MoKα","","0.035","0.0293","","","0.0732","0.0761","","","","","","1.021","","","","has coordinates,has disorder","290326","2024-03-05","20:42:18",""
"2023005","7.6106","0.0002","7.8024","0.0002","25.4699","0.0005","90","","90","","90","","1512.43","0.06","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dibromidobis(2-methylpyridine N-oxide-κO)cobalt(II)","","- C12 H14 Br2 Co N2 O2 -","- C12 H14 Br2 Co N2 O2 -","- C48 H56 Br8 Co4 N8 O8 -","4","1","YZ2048","Näther, Christian; Jess, Inke","Synthesis, crystal structure and thermal properties of di-bromido-bis-(2-methyl-pyridine N-oxide-κO)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","152","156","10.1107/S2056989024000252","","x-ray","1.54184","CuKα","","0.0363","0.0358","","","0.0929","0.0933","","","","","","1.059","","","","has coordinates,has Fobs","290328","2024-03-05","20:42:33",""
"2023006","23.612","0.003","7.2392","0.0008","7.2122","0.0007","90","","90","","90","","1232.8","0.2","150","2","150","2","","","","","","","organic","5","P c a 21","P 2c -2ac","29","","1-[(E)-2-(2-Fluorophenyl)diazan-1-ylidene]naphthalen-2(1H)-one","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","EE2002","Akkache, Hibet Errahmane Meroua; Hamdouni, Noudjoud; Boudjada, Ali; Medjroubi, Mohamed Larbi; Mili, Assia; Jeannin, Olivier","Crystal structure, Hirshfeld surface analysis and energy frameworks of 1-[(E)-2-(2-fluoro-phen-yl)diazan-1-yl-idene]naphthalen-2(1H)-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","137","142","10.1107/S2056989024000227","","x-ray","0.71073","MoKα","","0.0458","0.0442","","","0.1083","0.1094","","","","","","1.081","","","","has coordinates,has Fobs","290334","2024-03-05","20:43:36",""
"2023007","10.4316","0.0007","25.1732","0.0017","7.7756","0.0005","90","","90","","90","","2041.8","0.2","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trimethylsilyl)phenyl trifluoromethanesulfonate","","- C16 H24 B F3 O5 S Si -","- C16 H24 B F3 O5 S Si -","- C64 H96 B4 F12 O20 S4 Si4 -","4","1","DJ2074","Barnå, Fredrik; Hribersek, Matic; Orthaber, Andreas; Pilarski, Lukasz T.","Synthesis and crystal structures of boryl ortho-silylaryl tri-fluoro-methane-sulfonates.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","143","147","10.1107/S2056989024000264","","","0.71073","MoKα","","0.047","0.0404","","","0.0876","0.0912","","","","","","1.039","","","","has coordinates,has Fobs","290337","2024-03-05","20:44:19",""
"2023008","28.334","0.003","11.8449","0.0013","12.9139","0.0014","90","","92.723","0.002","90","","4329.2","0.8","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trimethylsilyl)phenyl trifluoromethanesulfonate","","- C16 H24 B F3 O5 S Si -","- C16 H24 B F3 O5 S Si -","- C128 H192 B8 F24 O40 S8 Si8 -","8","1","DJ2074","Barnå, Fredrik; Hribersek, Matic; Orthaber, Andreas; Pilarski, Lukasz T.","Synthesis and crystal structures of boryl ortho-silylaryl tri-fluoro-methane-sulfonates.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","143","147","10.1107/S2056989024000264","","","0.71073","MoKα","","0.0646","0.0484","","","0.1278","0.1387","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","290337","2024-03-05","20:44:24",""
"2023009","10.2407","0.0008","12.6295","0.001","34.127","0.003","90","","95.689","0.002","90","","4392.1","0.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trimethylsilyl)phenyl trifluoromethanesulfonate","","- C17 H26 B F3 O5 S Si -","- C17 H26 B F3 O5 S Si -","- C136 H208 B8 F24 O40 S8 Si8 -","8","2","DJ2074","Barnå, Fredrik; Hribersek, Matic; Orthaber, Andreas; Pilarski, Lukasz T.","Synthesis and crystal structures of boryl ortho-silylaryl tri-fluoro-methane-sulfonates.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","143","147","10.1107/S2056989024000264","","","0.71073","MoKα","","0.1008","0.0715","","","0.1712","0.1856","","","","","","1.143","","","","has coordinates,has Fobs","290337","2024-03-05","20:44:25",""
"2023010","6.0356","0.0005","7.6501","0.0006","15.7851","0.0014","90","","90","","90","","728.84","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N^1^,N^2^-Dimethylethanedihydrazide","","- C4 H10 N4 O2 -","- C4 H10 N4 O2 -","- C16 H40 N16 O8 -","4","1","VM2294","Bibik, Yurii S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Bargan, Alexandra; Lampeka, Rostyslav D.","Synthesis and crystal structure of N1,N2-di-methyl-ethane-dihydrazide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","148","151","10.1107/S2056989024000239","","x-ray","0.71073","MoKα","","0.068","0.0497","","","0.0846","0.0932","","","","","","1.038","","","","has coordinates,has Fobs","290339","2024-03-05","20:44:44",""
"2023011","10.3941","0.0007","11.154","0.0007","23.3489","0.0015","90","","90","","90","","2707","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene](isocyanato-κN)gold(I)","","- C28 H36 Au N3 O -","- C28 H36 Au N3 O -","- C112 H144 Au4 N12 O4 -","4","1","ZV2031","Bakhoda, Abolghasem","Synthesis and crystal structure of [1,3-bis-(2,6-diiso-propyl-phen-yl)imidazol-2-yl-idene](iso-cyanato-κN)gold(I).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","166","168","10.1107/S205698902400046X","","","0.71073","MoKα","","0.0131","0.0127","","","0.0244","0.0246","","","","","","1.111","","","","has coordinates,has Fobs","290329","2024-03-05","20:42:42",""
"2023012","6.4068","0.0003","25.2542","0.0015","9.3395","0.0004","90","","103.946","0.004","90","","1466.58","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-methylpiperidine-κN)gold(I) chloride","","- C12 H26 Au Cl N2 -","- C12 H26 Au Cl N2 -","- C48 H104 Au4 Cl4 N8 -","4","1","YZ2046","Döring, Cindy; Jones, Peter G.","Crystal structures of five gold(I) complexes with methyl-piperidine ligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","157","165","10.1107/S2056989023010940","","","0.71073","MoKα","","0.0446","0.0326","","","0.0462","0.0482","","","","","","1.157","","","","has coordinates,has Fobs","290331","2024-03-05","20:43:13",""
"2023013","9.6998","0.0007","9.7001","0.0008","10.7194","0.0005","102.218","0.006","101.893","0.005","114.695","0.008","844.89","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-methylpiperidine-κN)gold(I) dichloridoaurate(I)","","- C12 H26 Au2 Cl2 N2 -","- C12 H26 Au2 Cl2 N2 -","- C24 H52 Au4 Cl4 N4 -","2","1","YZ2046","Döring, Cindy; Jones, Peter G.","Crystal structures of five gold(I) complexes with methyl-piperidine ligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","157","165","10.1107/S2056989023010940","","","0.71073","MoKα","","0.0313","0.0286","","","0.0614","0.0635","","","","","","1.126","","","","has coordinates,has Fobs","290331","2024-03-05","20:43:13",""
"2023014","9.8461","0.0006","9.7728","0.0004","10.9461","0.0005","100.136","0.004","103.685","0.005","116.287","0.005","868.58","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-methylpiperidine-κN)gold(I) dibromidoaurate(I)","","- C12 H26 Au2 Br2 N2 -","- C12 H26 Au2 Br2 N2 -","- C24 H52 Au4 Br4 N4 -","2","1","YZ2046","Döring, Cindy; Jones, Peter G.","Crystal structures of five gold(I) complexes with methyl-piperidine ligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","157","165","10.1107/S2056989023010940","","","0.71073","MoKα","","0.0334","0.0232","","","0.0385","0.0409","","","","","","1.045","","","","has coordinates,has Fobs","290331","2024-03-05","20:43:13",""
"2023015","20.5785","0.0007","16.0876","0.0004","18.2247","0.0007","90","","116.196","0.005","90","","5413.7","0.4","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Chlorido(4-methylpiperidine-κN)gold(I) bis(4-methylpiperidine-κN)gold(I) chloride dichloromethane monosolvate","","- C19 H41 Au2 Cl4 N3 -","- C19 H41 Au2 Cl4 N3 -","- C152 H328 Au16 Cl32 N24 -","8","2","YZ2046","Döring, Cindy; Jones, Peter G.","Crystal structures of five gold(I) complexes with methyl-piperidine ligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","157","165","10.1107/S2056989023010940","","","0.71073","MoKα","","0.0535","0.0402","","","0.0645","0.0699","","","","","","1.094","","","","has coordinates,has Fobs","290331","2024-03-05","20:43:13",""
"2023016","17.6978","0.0007","11.2748","0.0005","16.562","0.0006","90","","114.013","0.005","90","","3018.8","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-methylpiperidine-κN)gold(I) chloride","","- C12 H26 Au Cl N2 -","- C12 H26 Au Cl N2 -","- C96 H208 Au8 Cl8 N16 -","8","1","YZ2046","Döring, Cindy; Jones, Peter G.","Crystal structures of five gold(I) complexes with methyl-piperidine ligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","157","165","10.1107/S2056989023010940","","","0.71073","MoKα","","0.059","0.0285","","","0.0431","0.0487","","","","","","1.09","","","","has coordinates,has Fobs","290331","2024-03-05","20:43:13",""
"2023018","27.4898","0.0004","5.9436","0.0001","32.0473","0.0005","90","","93.854","0.001","90","","5224.32","0.14","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Poly[[triaquabis(μ~4~-phthalato)(μ~3~-pyridine-2,5-dicarboxylato)dipraseodymium] monohydrate]","","- C23 H19 N O16 Pr2 -","- C23 H19 N O16 Pr2 -","- C184 H152 N8 O128 Pr16 -","8","1","JW2002","Yotnoi, Bunlawee; Rujiwatra, Apinpus","Crystal structure and characterization of a new lanthanide coordination polymer, [Pr2(pydc)(phth)2(H2O)3]·H2O.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","228","231","10.1107/S2056989024000872","","x-ray","0.71073","MoKα","","0.0361","0.0314","","","0.0778","0.0807","","","","","","1.046","","","","has coordinates,has Fobs","290327","2024-03-05","20:42:27",""
"2023019","9.1397","0.0002","9.4879","0.0002","10.0063","0.0002","79.554","0.001","63.787","0.001","83.054","0.001","764.75","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-cyano-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-phenylpropanoate","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C32 H34 N6 O6 -","2","1","NY2002","Ait Elmachkouri, Younesse; Irrou, Ezaddine; El Monfalouti, Hanae; Mazzah, Ahmed; Hökelek, Tuncer; Mague, Joel T.; Taha, Mohamed Labd; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, crystal voids, inter-action energy calculations and energy frameworks and DFT calculations of ethyl 2-cyano-3-(3-hy-droxy-5-methyl-1H-pyrazol-4-yl)-3-phen-yl-propano-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","240","246","10.1107/S2056989024000744","","","1.54178","CuKα","","0.0703","0.0476","","","0.1134","0.1271","","","","","","1.044","","","","has coordinates,has Fobs","290332","2024-03-05","20:43:22",""
"2023020","9.842","0.0002","6.9145","0.0002","11.1807","0.0002","90","","93.618","0.002","90","","759.36","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-Chloroethyl)-5-methyl-1,2-dihydropyrazol-3-one","","- C6 H9 Cl N2 O -","- C6 H9 Cl N2 O -","- C24 H36 Cl4 N8 O4 -","4","1","NX2004","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Dukhnovsky, Evgeny A.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 4-(2-chloro-eth-yl)-5-methyl-1,2-di-hydro-pyrazol-3-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","223","227","10.1107/S2056989024000835","","","1.54184","CuKα","","0.0366","0.0356","","","0.0964","0.0972","","","","","","1.048","","","","has coordinates,has Fobs","290336","2024-03-05","20:44:01",""
"2023021","6.6126","0.0004","4.868","0.0003","38.924","0.002","90","","94.118","0.002","90","","1249.73","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-Methylbenzyl)indoline-2,3-dione","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","JP2002","Rharmili, Nohaila; Abdellaoui, Omar; Ouazzani Chahdi, Fouad; Mague, Joel T.; Hökelek, Tuncer; Mazzah, Ahmed; Kandri Rodi, Youssef; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, crystal voids, inter-action energy calculations and energy frameworks, and DFT calculations of 1-(4-methyl-benz-yl)in-do-line-2,3-dione.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","232","239","10.1107/S2056989024000756","","","0.71073","MoKα","","0.082","0.0538","","","0.1231","0.1368","","","","","","1.026","","","","has coordinates,has Fobs","290338","2024-03-05","20:44:33",""
"2023022","8.0175","0.001","11.3134","0.0014","17.408","0.002","95.099","0.002","99.963","0.002","96.414","0.002","1536","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(Z)-N-[Chloro[(4-ferrocenylphenyl)imino]methyl]-\ 4-ferrocenylaniline N,N-dimethylformamide monosolvate","","- C36 H34 Cl Fe2 N3 O -","- C36 H34 Cl Fe2 N3 O -","- C72 H68 Cl2 Fe4 N6 O2 -","2","1","OX2002","Sghyar, Riham; Bentama, Abdeslem; Haoudi, Amal; Mazzah, Ahmed; Mague, Joel T.; Hökelek, Tuncer; El Hadrami, El Mestafa; Sebbar, Nada Kheira","Crystal structure and Hirshfeld surface analysis of (Z)-N-{chloro-[(4-ferrocenylphen-yl)imino]-meth-yl}-4-ferrocenylaniline N,N-di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","262","266","10.1107/S2056989024001002","","","0.71073","MoKα","","0.0723","0.0465","","","0.1152","0.131","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","291118","2024-04-05","23:42:49",""
"2023023","14.331","0.005","7.769","0.005","17.558","0.005","90","","91.969","0.005","90","","1953.7","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(2-Nitrophenyl)maleimide","1-(2-Nitrophenyl)pyrrole-2,5-dione","","- C10 H6 N2 O4 -","- C10 H6 N2 O4 -","- C80 H48 N16 O32 -","8","2","VU2003","Montoya-Garcia, Maribel; Cortes-Hernandez, Héctor; D'Vries, Richard; Valencia-Sanchez, Hoover","Crystal structure, Hirshfeld surface analysis and DFT study of N-(2-nitro-phen-yl)male-imide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","256","261","10.1107/S2056989024000926","","","0.71073","MoKα","","0.0873","0.0479","","","0.0988","0.1215","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","291120","2024-04-05","23:43:06",""
"2023024","7.1291","0.0002","7.1662","0.0002","11.0151","0.0003","77.704","0.001","80.079","0.001","72.371","0.001","520.49","0.03","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","[4-(2-Aminoethyl)morpholine-κ^2^N,N']dibromidocadmium(II)","","- C6 H14 Br2 Cd N2 O -","- C6 H14 Br2 Cd N2 O -","- C12 H28 Br4 Cd2 N4 O2 -","2","1","JQ2033","Chidambaranathan, B.; Sivaraj, S.; Vijayamathubalan, P.; Abraham Rajasekar, S.; Selvakumar, S.","[4-(2-Aminoethyl)morpholine-κ2N,N']di-bromidocadmium(II): synthesis, crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","271","276","10.1107/S2056989024000963","","","0.71073","MoKα","","0.025","0.0241","","","0.0583","0.0591","","","","","","1.075","","","","has coordinates,has Fobs","291114","2024-04-05","23:41:59",""
"2023025","19.705","0.003","15.389","0.002","14.1279","0.0019","90","","113.801","0.004","90","","3919.8","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H23 F2 N O4 -","- C21 H23 F2 N O4 -","- C168 H184 F16 N8 O32 -","8","1","JY2044","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and tert-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","281","288","10.1107/S2056989024001233","","","0.71073","MoKα","","0.1111","0.0726","","","0.1612","0.1864","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","291117","2024-04-05","23:42:37",""
"2023026","12.255","0.003","15.694","0.003","21.903","0.004","90","","90","","90","","4212.6","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Isopropyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C23 H27 F2 N O4 -","- C23 H27 F2 N O4 -","- C184 H216 F16 N8 O32 -","8","1","JY2044","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and tert-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","281","288","10.1107/S2056989024001233","","","0.71073","MoKα","","0.0697","0.0504","","","0.1192","0.1284","","","","","","1.025","","","","has coordinates,has Fobs","291117","2024-04-05","23:42:40",""
"2023027","12.4094","0.0008","15.9871","0.0012","21.9629","0.0015","90","","90","","90","","4357.2","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","tert-Butyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C24 H29 F2 N O4 -","- C24 H29 F2 N O4 -","- C192 H232 F16 N8 O32 -","8","1","JY2044","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and tert-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","281","288","10.1107/S2056989024001233","","","0.71073","MoKα","","0.0874","0.0588","","","0.1474","0.1632","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","291117","2024-04-05","23:42:40",""
"2023028","7.685","0.0004","9.4135","0.0004","13.9147","0.0007","105.609","0.002","101.103","0.002","96.253","0.002","937.5","0.08","298","","298","","","","","","","","","5","P -1","-P 1","2","","Diethylammonium dioxido{Z)-N-[(pyridin-2-yl)carbonylazanidyl]pyridine-2-carboximidato}vanadate(1-) monohydrate","","- C16 H22 N5 O5 V -","- C16 H22 N5 O5 V -","- C32 H44 N10 O10 V2 -","2","1","EV2002","Mondal, Bipul","Crystal structure of di-ethyl-ammonium dioxido{Z)-N-[(pyri-din-2-yl)car-bon-yl-azan-idyl]pyri-dine-2-car-box-imid-ato}vana-date(1-) monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","277","280","10.1107/S2056989024001166","","","0.71073","MoKα","","0.0596","0.0382","","","0.0949","0.1096","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","291121","2024-04-05","23:43:15",""
"2023029","11.5512","0.0007","24.4768","0.0014","12.8355","0.0006","90","","115.742","0.002","90","","3268.9","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[tetrakis(μ-2-formyl-6-methoxyphenolato)samarium(III)sodium(I)]","","- C32 H28 Na O12 Sm -","- C32 H28 Na O12 Sm -","- C128 H112 Na4 O48 Sm4 -","4","1","OO2002","Hastings, Ashley M.; Williams, Ashley; Surbella Iii, Robert G.; Hixon, Amy E.; Arteaga, Ana","Structural characterization of a new samarium-sodium heterometallic coordination polymer.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","267","270","10.1107/S2056989024001051","","","0.71073","MoKα","","0.0803","0.0502","","","0.0956","0.1083","","","","","","1.019","","","","has coordinates,has Fobs","291125","2024-04-05","23:44:05",""
"2023030","9.054","0.011","15.015","0.015","30.93","0.03","90","","94.1","0.03","90","","4194","8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Propan-2-yl)-1,2,4-[1,2,4]selenadiazolo[4,5-a]pyridin-4-ylium chloride","","- C9 H11 Cl N2 Se -","- C9 H11 Cl N2 Se -","- C144 H176 Cl16 N32 Se16 -","16","4","EX2079","Temesgen, Ayalew W.; Sapronov, Alexander A.; Kubasov, Alexey S.; Novikov, Alexander S.; Le, Tuan Anh; Tskhovrebov, Alexander G.","Synthesis and crystal structure of the adduct between 2-pyridyl-selenyl chloride and isobutyro-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","247","251","10.1107/S2056989024000938","","","0.71073","MoKα","","0.1261","0.0797","","","0.1735","0.1917","","","","","","1.104","","","","has coordinates,has Fobs","291126","2024-04-05","23:44:13",""
"2023031","9.9014","0.0005","10.7214","0.0006","11.9401","0.0006","69.789","0.003","71.074","0.003","66.439","0.003","1064.45","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[sodium-μ~3~-2-[(4-methanesulfonyl-2-nitrophenyl)carbonyl]-3-oxocyclohex-1-en-1-olato] ethanol monosolvate]","","- C18 H24 N Na O9 S -","- C18 H24 N Na O9 S -","- C36 H48 N2 Na2 O18 S2 -","2","1","OI2003","Bereziuk, Olha; Gubina, Kateryna; Trush, Viktor; Ovchynnikov, Vladimir","Crystal structure of the sodium salt of mesotrione: a triketone herbicide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","296","299","10.1107/S2056989024001439","","","0.71073","MoKα","","0.071","0.0496","","","0.1207","0.1333","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","291116","2024-04-05","23:42:21",""
"2023032","8.78308","0.00012","11.66215","0.00016","11.00169","0.00015","90","","97.946","0.0012","90","","1116.08","0.03","100","2","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(Benzo[d]thiazol-2-yl)-1,2-dimethyl-1H-pyrazol-3(2H)-one","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C48 H44 N12 O4 S4 -","4","1","YZ2050","Elboshi, Heba A.; Azzam, Rasha A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 4-(benzo[d]thia-zol-2-yl)-1,2-dimethyl-1H-pyrazol-3(2H)-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","289","291","10.1107/S2056989024001257","","x-ray","1.54184","CuKα","","0.0307","0.0299","","","0.0807","0.0814","","","","","","1.068","","","","has coordinates,has Fobs","291119","2024-04-05","23:42:58",""
"2023033","24.3443","0.00007","24.3443","","14.55212","0.00004","90","","90","","120","","7468.81","0.03","295","","295","","","","","","","","","4","R 3 :H","R 3","146","omadacycline dihydrate","(4S,4aS,5aR,12aR)-4,7-Bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide dihydrate","","- C29 H40 N4 O8.961 -","- C29 H40 N4 O8.96367 -","- C261 H360 N36 O80.673 -","9","1","HB8082","Kaduk, James A.; Boaz, Nicholas C.; Gates-Rector, Stacy; Gindhart, Amy M.; Blanton, Thomas N.","Omadacycline dihydrate, C29H40N4O7·2H2O, from X-ray powder diffraction data.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","292","295","10.1107/S2056989024001403","powder diffraction","x-ray","0.45813","synchrotron","","","","","","0.06233","","","","1.47","","","","","","","has coordinates","291123","2024-04-05","23:43:46",""
"2023034","8.8038","0.0006","10.2277","0.0007","14.0937","0.001","90.262","0.001","96.63","0.001","108.395","0.001","1195","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3-Phenyl-1-{3-[(3-phenylquinoxalin-2-yl)oxy]propyl}-1,2-dihydroquinoxalin-2-one","","- C31 H24 N4 O2 -","- C31 H24 N4 O2 -","- C62 H48 N8 O4 -","2","1","VM2295","Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Alzahrani, Abdullah Yahya Abdullah; Ramli, Youssef","Crystal structure and Hirshfeld surface analysis of 3-phenyl-1-{3-[(3-phenyl-quinoxalin-2-yl)-oxy]prop-yl}-1,2-di-hydro-quinoxalin-2-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","300","304","10.1107/S2056989024001518","","","0.71073","MoKα","","0.0609","0.0454","","","0.1212","0.1291","","","","","","1.015","","","","has coordinates,has Fobs","291110","2024-04-05","23:41:22",""
"2023035","11.0276","0.001","10.7661","0.0008","19.635","0.002","90","","91.792","0.009","90","","2330","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium N-methanesulfonyl-4-nitro-2-phenoxyanilinide","","- C21 H31 N3 O5 S -","- C21 H31 N3 O5 S -","- C84 H124 N12 O20 S4 -","4","1","DX2059","Rybczyńska, Małgorzata; Sikorski, Artur","Crystal structure of the tetra-ethyl-ammonium salt of the non-steroidal anti-inflammatory drug nimesulide (polymorph II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","314","317","10.1107/S2056989024001300","","","0.71073","MoKα","","0.121","0.0657","","","0.1074","0.1277","","","","","","1.097","","","","has coordinates,has Fobs","291111","2024-04-05","23:41:31",""
"2023036","7.166","0.002","7.686","0.003","12.172","0.004","95.473","0.016","105.226","0.012","113.116","0.013","579.9","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","2-(2-Azidophenyl)-3-oxo-3H-indole 1-oxide","","- C14 H8 N4 O2 -","- C14 H8 N4 O2 -","- C28 H16 N8 O4 -","2","1","DX2056","Dhote, Pawan; Tothadi, Srinu; Ramana, Chepuri V.","Synthesis, characterization, and crystal structure of 2-(2-azido-phen-yl)-3-oxo-3H-indole 1-oxide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","310","313","10.1107/S2056989024001440","","","0.71073","MoKα","","0.0568","0.0422","","","0.1131","0.122","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","291112","2024-04-05","23:41:40",""
"2023037","5.63465","0.00003","18.02763","0.00013","18.40115","0.00012","90","","97.1649","0.0006","90","","1854.58","0.02","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Oxo-3-phenyl-2-sulfanylidene-5-(thiophen-2-yl)-3,4,7,8,9,10-hexahydro-2H-pyrido[1,6-a:2,3-d']dipyrimidine-6-carbonitrile","","- C21 H15 N5 O S2 -","- C21 H15 N5 O S2 -","- C84 H60 N20 O4 S8 -","4","1","TX2082","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Mamedov, Huseyn M.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 4-oxo-3-phenyl-2-sulfanyl-idene-5-(thio-phen-2-yl)-3,4,7,8,9,10-hexa-hydro-2H-pyrido[1,6-a:2,3-d']di-pyrimidine-6-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","325","329","10.1107/S2056989024001658","","","1.54184","CuKα","","0.0474","0.0468","","","0.1296","0.13","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","291113","2024-04-05","23:41:50",""
"2023038","12.6809","0.0009","12.1217","0.0009","17.7335","0.0013","90","","105.767","0.0015","90","","2623.3","0.3","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis[1-oxopyridin-2-olato(1-)]bis(pentafluorophenyl)silicon(IV)–tetrahydrofuran–pentane (2/1/1)","Bis[1-oxopyridin-2-olato(1-)]bis(pentafluorophenyl)silicon(IV)–tetrahydrofuran–pentane (2/1/1)","","- C26.5 H18 F10 N2 O4.5 Si -","- C26.5 H18 F10 N2 O4.5 Si -","- C106 H72 F40 N8 O18 Si4 -","4","1","EE2004","Kraft, Bradley M.; Brennessel, William W.; Andrews, Jordan W.; Viggiani, Michael T.; Kittrell, Nathan F.; Heckman, Matthew T.","Synthesis and crystal structures of bis-[1-oxopyridin-2-olato(1-)]bis-(penta-fluoro-phen-yl)silicon(IV)-tetra-hydro-furan-pentane (2/1/1), bis-[1-oxopyridin-2-olato(1-)]bis-(p-tol-yl)silicon(IV), and dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","318","324","10.1107/S2056989024001543","","","0.71073","MoKα","","0.0817","0.0513","","","0.1448","0.1629","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","291115","2024-04-05","23:42:12",""
"2023039","8.5662","0.0008","8.8343","0.0008","14.7801","0.0014","93.057","0.002","105.372","0.0019","106.757","0.0018","1022.45","0.17","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","Bis[1-oxopyridin-2-olato(1-)]bis(p-tolyl)silicon(IV)","Bis[1-oxopyridin-2-olato(1-)]bis(4-mwthylphenyl)silicon(IV)","","- C24 H22 N2 O4 Si -","- C24 H22 N2 O4 Si -","- C48 H44 N4 O8 Si2 -","2","1","EE2004","Kraft, Bradley M.; Brennessel, William W.; Andrews, Jordan W.; Viggiani, Michael T.; Kittrell, Nathan F.; Heckman, Matthew T.","Synthesis and crystal structures of bis-[1-oxopyridin-2-olato(1-)]bis-(penta-fluoro-phen-yl)silicon(IV)-tetra-hydro-furan-pentane (2/1/1), bis-[1-oxopyridin-2-olato(1-)]bis-(p-tol-yl)silicon(IV), and dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","318","324","10.1107/S2056989024001543","","","0.71073","MoKα","","0.0887","0.0541","","","0.1318","0.1487","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","291115","2024-04-05","23:42:13",""
"2023040","12.571","0.0002","12.68898","0.00019","15.358","0.0002","90","","90","","90","","2449.8","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bis[1-oxopyridin-2-olato(1-)]bis(2,4,6-trimethylphenyl)silicon(IV)","Dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV)","","- C28 H30 N2 O4 Si -","- C28 H30 N2 O4 Si -","- C112 H120 N8 O16 Si4 -","4","1","EE2004","Kraft, Bradley M.; Brennessel, William W.; Andrews, Jordan W.; Viggiani, Michael T.; Kittrell, Nathan F.; Heckman, Matthew T.","Synthesis and crystal structures of bis-[1-oxopyridin-2-olato(1-)]bis-(penta-fluoro-phen-yl)silicon(IV)-tetra-hydro-furan-pentane (2/1/1), bis-[1-oxopyridin-2-olato(1-)]bis-(p-tol-yl)silicon(IV), and dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","318","324","10.1107/S2056989024001543","","x-ray","1.54184","CuKα","","0.0342","0.0316","","","0.0775","0.0787","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","291115","2024-04-05","23:42:13",""
"2023041","8.5784","0.0003","14.4797","0.0005","13.6961","0.0005","90","","96.052","0.004","90","","1691.75","0.1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","(S)-8-{[(tert-Butyldimethylsilyl)oxy]methyl}-1-[(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl]-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium triflate","(S)-8-{[(tert-Butyldimethylsilyl)oxy]methyl}-1-[(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl]-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium trifluoromethanesulfonate","","- C28 H46 F3 N3 O7 S2 Si -","- C28 H46 F3 N3 O7 S2 Si -","- C56 H92 F6 N6 O14 S4 Si2 -","2","1","DJ2073","Alaboosh, Jamal M. H.; Hill, Steven P.; Kariuki, Benson M.; Redman, James E.","Crystal structures of sulfonamide protected bicyclic guanidines: (S)-8-{[(tert-butyl-dimethyl-sil-yl)-oxy]meth-yl}-1-[(2,2,4,6,7-penta-methyl-2,3-di-hydro-benzo-furan-5-yl)sulfon-yl]-1,3,4,6,7,8-hexa-hydro-2H-pyrimido[1,2-a]pyrimidin-1-ium tri-fluoro-methane-sulfonate and (S)-8-(iodo-meth-yl)-1-tosyl-1,3,4,6,7,8-hexa-hydro-2H-pyrimido[1,2-a]pyrimidin-1-ium iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","305","309","10.1107/S2056989024001129","","","1.54184","CuKα","","0.0388","0.0368","","","0.0949","0.0971","","","","","","1.021","","","","has coordinates,has Fobs","291124","2024-04-05","23:43:55",""
"2023042","6.6117","0.0002","10.1482","0.0002","28.1444","0.0009","90","","90","","90","","1888.4","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(S)-8-(Iodomethyl)-1-tosyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium iodide","(S)-8-(Iodomethyl)-1-4-(methylbenzenesulfonyl)-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium iodide","","- C15 H21 I2 N3 O2 S -","- C15 H21 I2 N3 O2 S -","- C60 H84 I8 N12 O8 S4 -","4","1","DJ2073","Alaboosh, Jamal M. H.; Hill, Steven P.; Kariuki, Benson M.; Redman, James E.","Crystal structures of sulfonamide protected bicyclic guanidines: (S)-8-{[(tert-butyl-dimethyl-sil-yl)-oxy]meth-yl}-1-[(2,2,4,6,7-penta-methyl-2,3-di-hydro-benzo-furan-5-yl)sulfon-yl]-1,3,4,6,7,8-hexa-hydro-2H-pyrimido[1,2-a]pyrimidin-1-ium tri-fluoro-methane-sulfonate and (S)-8-(iodo-meth-yl)-1-tosyl-1,3,4,6,7,8-hexa-hydro-2H-pyrimido[1,2-a]pyrimidin-1-ium iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","305","309","10.1107/S2056989024001129","","","0.71073","MoKα","","0.0359","0.0308","","","0.0693","0.0715","","","","","","1.042","","","","has coordinates,has Fobs","291124","2024-04-05","23:43:56",""
"2023043","6.9143","0.0014","6.2111","0.0012","17.169","0.003","90","","90.05","0.03","90","","737.3","0.2","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","catena-Poly[[[aquacopper(II)]-bis(μ-4-aminobenzoato)-κ^2^N:O;κ^2^O:N] monohydrate]","","- C14 H16 Cu N2 O6 -","- C14 H16 Cu N2 O6 -","- C28 H32 Cu2 N4 O12 -","2","0.5","ZV2032","Gogia, Alisha; Novikov, Egor M.; Guzei, Ilia A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Crystal structure and characterization of a new one-dimensional copper(II) coordination polymer containing a 4-amino-benzoic acid ligand.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","330","334","10.1107/S2056989024001336","","x-ray","0.71073","MoKα","","0.0391","0.0329","","","0.0838","0.0865","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","291127","2024-04-05","23:44:20",""
"2023044","10.299","0.0017","11.734","0.002","12.846","0.002","87.275","0.003","88.918","0.003","72.096","0.002","1475.6","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-2-hydroxy-3,5-diisopropylbenzoato)bis[(dimethyl sulfoxide)copper(II)]","","- C56 H80 Cu2 O14 S2 -","- C56 H80 Cu2 O14 S2 -","- C56 H80 Cu2 O14 S2 -","1","0.5","EV2003","Shlian, Daniel G.; Summers, Rachael H.; Martinez, Katelyn; Upmacis, Rita K.","Crystal structure of tetra-kis-(μ-2-hy-droxy-3,5-di-isoprop-yl-benzoato)bis-[(dimethyl sulfoxide)copper(II)].","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","335","338","10.1107/S205698902400166X","","","0.71073","MoKα","","0.0719","0.0474","","","0.1168","0.1299","","","","","","1.086","","","","has coordinates,has disorder","291109","2024-04-05","23:41:13",""
"2023045","16.8662","0.0015","12.8555","0.0011","18.7561","0.0016","90","","90","","90","","4066.8","0.6","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","13203z","1-{4-[Bis(4-methylphenyl)amino]phenyl}ethene-1,2,2-tricarbonitrile","","- C25 H18 N4 -","- C25 H18 N4 -","- C200 H144 N32 -","8","1","NX2005","Bader, Mamoun M.; Pham, Phuong-Truc","Crystal structure of 1-{4-[bis-(4-methyl-phen-yl)amino]-phen-yl}ethene-1,2,2-tricarbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","339","342","10.1107/S2056989024001804","","","0.71073","MoKα","","0.0902","0.0482","","","0.1032","0.1245","","","","","","1.019","","","","has coordinates","291122","2024-04-05","23:43:24",""
"2023046","8.7253","0.0008","14.3482","0.0014","14.0718","0.0013","90","","104.76","0.002","90","","1703.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Trichlorido(1,4,11-triaza-8-azoniatetracyclo[6.6.2.0^4,16^.0^11,15^]hexadecane 1-oxide-κO)zinc(II) monohydrate","","- C12 H25 Cl3 N4 O2 Zn -","- C12 H25 Cl3 N4 O2 Zn -","- C48 H100 Cl12 N16 O8 Zn4 -","4","1","PK2704","Hubin, Daniel J.; Cunningham, Blue M.; Hubin, Timothy J.; Ebel, Jonathan P.; Krause, Jeanette A.; Oliver, Allen G.","The unanti-cipated oxidation of a tertiary amine in a tetra-cyclic glyoxal-cyclam condensate yielding zinc(II) coordinated to a sterically hindered amine oxide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","343","346","10.1107/S2056989024001889","","","0.71073","MoKα","","0.0335","0.0237","","","0.0522","0.0556","","","","","","1.012","","","","has coordinates,has disorder","291718","2024-05-06","04:19:49",""
"2023047","8.7649","0.0014","6.8899","0.0011","10.6868","0.0018","90","","104.676","0.004","90","","624.31","0.18","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","N-(6-Acetyl-1-nitronaphthalen-2-yl)acetamide","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","ZN2035","Shi, Xin-Wei; Zheng, Shao-Jun; Lu, Qiang-Qiang; Li, Gen; Zhou, Ya-Fu","Synthesis, crystal structure and Hirshfeld surface analysis of N-(6-acetyl-1-nitro-naphthalen-2-yl)acetamide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","347","350","10.1107/S2056989024001609","","","0.71073","MoKα","","0.0479","0.043","","","0.1188","0.1237","","","","","","1.073","","","","has coordinates","291728","2024-05-06","04:21:49",""
"2023048","20.5406","0.0009","13.7457","0.0005","10.565","0.0003","90","","107.006","0.004","90","","2852.54","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N-(4-methoxyphenyl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-amine hemihydrochloride monohydrate","N-(4-Methoxyphenyl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-2-amine 4-{5-[(4-methoxyphenyl)amino]-1,3,4-oxadiazol-2-yl}pyridin-1-ium chloride dihydrate","","- C28 H29 Cl N8 O6 -","- C28 H29 Cl N8 O6 -","- C112 H116 Cl4 N32 O24 -","4","0.5","HB8088","Gautam, Ram N.; Sonkar, Sankatha P.; Yadav, Shailendra; Nath, Paras; Bharty, Manoj K.","CoII-catalysed synthesis of N-(4-meth-oxy-phen-yl)-5-(pyridin-4-yl)-1,3,4-oxa-diazol-2-amine hemi-hydro-chloride monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","351","354","10.1107/S2056989024002044","","","0.71073","MoKα","","0.069","0.0412","","","0.1033","0.1186","","","","","","0.977","","","","has coordinates","291729","2024-05-06","04:21:58",""
"2023049","19.6882","0.0003","18.9452","0.001","17.2139","0.0003","90","","110.811","0.0015","90","","6001.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tetraphenyl phosphate tetrakis[dimethyl (2,2,2-trichloroacetyl)phosphoramidato]lutetium(III)","","- C40 H44 Cl12 Lu N4 O16 P5 -","- C40 H44 Cl12 Lu N4 O16 P5 -","- C160 H176 Cl48 Lu4 N16 O64 P20 -","4","1","DJ2075","Struhatska, Mariia B.; Ovchynnikov, Vladimir A.; Kariaka, Nataliia S.; Gawryszewska, Paula; Amirkhanov, Volodymyr M.","Crystal structure of tetra-phenyl phosphate tetra-kis-[dimethyl (2,2,2-tri-chloro-acet-yl)phos-pho-ramidato]lutetium(III), PPh4[LuL4].","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","370","374","10.1107/S205698902400210X","","","1.54184","CuKα","","0.0445","0.0401","","","0.1055","0.1077","","","","","","1.084","","","","has coordinates,has disorder","291731","2024-05-06","04:22:22",""
"2023050","8.0262","0.0003","9.0839","0.0003","10.7162","0.0003","86.185","0.002","85.73","0.003","84.468","0.003","774.12","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido(tripropan-2-ylphosphane sulfide-κS)gold(III)","","- C9 H21 Au Cl3 P S -","- C9 H21 Au Cl3 P S -","- C18 H42 Au2 Cl6 P2 S2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.017","0.0151","","","0.0327","0.0332","","","","","","1.05","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023051","8.4533","0.0002","17.0563","0.0004","11.4826","0.0003","90","","94.525","0.002","90","","1650.42","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(tert-Butyldipropan-2-ylphosphane sulfide-κS)trichloridogold(III)","","- C10 H23 Au Cl3 P S -","- C10 H23 Au Cl3 P S -","- C40 H92 Au4 Cl12 P4 S4 -","4","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0247","0.021","","","0.0442","0.0456","","","","","","1.071","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023052","7.9363","0.0003","14.4096","0.0004","14.2851","0.0004","90","","91.774","0.003","90","","1632.85","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(tert-Butyldipropan-2-ylphosphane sulfide-κS)trichloridogold(III)","","- C10 H23 Au Cl3 P S -","- C10 H23 Au Cl3 P S -","- C40 H92 Au4 Cl12 P4 S4 -","4","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0339","0.0251","","","0.0424","0.045","","","","","","1.123","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023053","8.6034","0.0004","9.7779","0.0004","11.4231","0.0004","78.876","0.003","71.456","0.004","72.702","0.004","864.7","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido[di-tert-butyl(propan-2-yl)phosphane sulfide-κS]gold(III)","","- C11 H25 Au Cl3 P S -","- C11 H25 Au Cl3 P S -","- C22 H50 Au2 Cl6 P2 S2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0174","0.0157","","","0.0354","0.0359","","","","","","1.078","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023054","9.6382","0.0004","10.2787","0.0003","11.8483","0.0005","75.115","0.003","68.875","0.004","89.728","0.003","1053.13","0.08","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","Trichlorido[di-tert-butyl(propan-2-yl)phosphane sulfide-κS]gold(III) chloroform-d monosilvate","","- C12 H25 Au Cl6 D P S -","- C12 H25 Au Cl6 D P S -","- C24 H50 Au2 Cl12 D2 P2 S2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0182","0.0163","","","0.0327","0.0333","","","","","","1.053","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023055","8.4202","0.0003","11.2194","0.0004","11.8355","0.0004","98.398","0.003","101.174","0.003","95.991","0.003","1074.95","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido(tri-tert-butylphosphane sulfide-κS)gold(III) dichloromethane monosolvate","","- C13 H29 Au Cl5 P S -","- C13 H29 Au Cl5 P S -","- C26 H58 Au2 Cl10 P2 S2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0245","0.0205","","","0.0364","0.0373","","","","","","1.054","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023056","7.92516","0.00018","14.5559","0.0004","14.3635","0.0004","90","","91.264","0.002","90","","1656.54","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(tert-Butyldipropan-2-ylphosphane selenide-κS)trichloridogold(III)","","- C10 H23 Au Cl3 P Se -","- C10 H23 Au Cl3 P Se -","- C40 H92 Au4 Cl12 P4 Se4 -","4","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0461","0.0426","","","0.0915","0.0926","","","","","","1.321","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023057","8.5878","0.0004","9.8435","0.0004","11.5022","0.0005","78.391","0.003","71.168","0.004","73.463","0.004","875.78","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Trichlorido[di-tert-butyl(propan-2-yl)phosphane selenide-κS]gold(III)","","- C11 H25 Au Cl3 P Se -","- C11 H25 Au Cl3 P Se -","- C22 H50 Au2 Cl6 P2 Se2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0164","0.0144","","","0.0292","0.0297","","","","","","1.101","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023058","8.5343","0.0002","9.7185","0.0003","14.0759","0.0004","74.398","0.002","78.121","0.002","73.257","0.002","1066.3","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Trichlorido[di-tert-butyl(propan-2-yl)phosphane selenide-κS]gold(III) chloroform-d monosolvate","","- C12 H25 Au Cl6 D P Se -","- C12 H25 Au Cl6 D P Se -","- C24 H50 Au2 Cl12 D2 P2 Se2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0222","0.0206","","","0.047","0.0476","","","","","","1.097","","","","has coordinates,has disorder","291733","2024-05-06","04:23:21",""
"2023059","9.1341","0.0002","7.9039","0.0002","22.642","0.0004","90","","94.519","0.002","90","","1629.56","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tribromrido(tripropan-2-ylphosphane sulfide-κS)gold(III)","","- C9 H21 Au Br3 P S -","- C9 H21 Au Br3 P S -","- C36 H84 Au4 Br12 P4 S4 -","4","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0258","0.022","","","0.0374","0.0381","","","","","","1.233","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023060","8.6067","0.0008","10.1161","0.0012","11.5123","0.0012","77.873","0.01","70.257","0.01","71.867","0.01","890.37","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tribromido[di-tert-butyl(propan-2-yl)phosphane sulfide-κS]gold(III)","","- C11 H25 Au Br3 P S -","- C11 H25 Au Br3 P S -","- C22 H50 Au2 Br6 P2 S2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0192","0.0174","","","0.0357","0.0362","","","","","","1.135","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023061","8.3928","0.0002","10.1417","0.0004","10.7567","0.0004","94.419","0.003","105.612","0.003","110.113","0.003","813.34","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tribromido(tripropan-2-ylphosphane selenide-κS)gold(III)","","- C9 H21 Au Br3 P Se -","- C9 H21 Au Br3 P Se -","- C18 H42 Au2 Br6 P2 Se2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0334","0.0275","","","0.0702","0.074","","","","","","1.054","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023062","8.6","0.0005","10.2045","0.0007","11.5987","0.0007","77.475","0.006","69.764","0.006","72.601","0.006","904.02","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tribromido[di-tert-butyl(propan-2-yl)phosphane selenide-κS]gold(III)","","- C11 H25 Au Br3 P Se -","- C11 H25 Au Br3 P Se -","- C22 H50 Au2 Br6 P2 Se2 -","2","1","YZ2051","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","355","369","10.1107/S2056989024002032","","","0.71073","MoKα","","0.0252","0.0196","","","0.0346","0.036","","","","","","1.049","","","","has coordinates","291733","2024-05-06","04:23:21",""
"2023063","7.8729","0.0012","5.5655","0.0008","15.492","0.002","90","","101.446","0.003","90","","665.31","0.16","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone","","- C13 H13 Cl F N O4 -","- C13 H13 Cl F N O4 -","- C26 H26 Cl2 F2 N2 O8 -","2","1","JY2039","Li, Victor; Yap, Glenn P. A.; Ni, Chaoying","Crystal structure of (S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","375","377","10.1107/S2056989024001920","","","1.54178","CuKα","","0.0511","0.0498","","","0.1346","0.1356","","","","","","1.083","","","","has coordinates","291724","2024-05-06","04:21:08",""
"2023064","6.2459","0.0004","14.148","0.0009","16.2111","0.0011","90","","92.435","0.007","90","","1431.23","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Imino-8-(4-methylphenyl)-1,3,4,6-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile","","- C17 H15 N5 -","- C17 H15 N5 -","- C68 H60 N20 -","4","1","NX2006","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Dobrokhotova, Ekaterina V.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of 6-imino-8-(4-methyl-phen-yl)-1,3,4,6-tetra-hydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","378","382","10.1107/S2056989024002500","","","0.745","synchrotron","","0.0611","0.0446","","","0.1035","0.1132","","","","","","1.039","","","","has coordinates","291719","2024-05-06","04:20:07",""
"2023065","8.4614","0.0014","9.0947","0.0015","9.536","0.0016","87.739","0.002","72.963","0.002","69.028","0.002","653.39","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Phenyl-3-(prop-2-yn-1-yloxy)quinoxaline","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C34 H24 N4 O2 -","2","1","VM2298","Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Pourayoubi, Mehrdad; Yahya Abdullah Alzahrani, Abdullah; Ramli, Youssef","Synthesis, crystal structure and Hirshfeld surface analysis of 2-phenyl-3-(prop-2-yn-1-yl-oxy)quin-oxaline.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","383","387","10.1107/S2056989024002585","","","0.71073","MoKα","","0.0501","0.0437","","","0.1345","0.1387","","","","","","1.166","","","","has coordinates","291723","2024-05-06","04:20:58",""
"2023066","8.444","0.0003","14.3013","0.0005","15.4233","0.0006","90","","90","","90","","1862.52","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[2-(Morpholin-4-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C84 H92 N12 O12 -","4","1","WM5711","Lamssane, Houda; Haoudi, Amal; Kartah, Badr Eddine; Mazzah, Ahmed; Mague, Joel T.; Hökelek, Tuncer; Kandri Rodi, Youssef; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, calculations of crystal voids, inter-action energy and energy frameworks as well as density functional theory (DFT) calculations of 3-[2-(morpholin-4-yl)eth-yl]-5,5-di-phenyl-imidazolidine-2,4-dione.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","423","429","10.1107/S2056989024002445","","","0.71073","MoKα","","0.0423","0.0367","","","0.0919","0.0969","","","","","","1.068","","","","has coordinates","291716","2024-05-06","04:19:31",""
"2023067","8.3083","0.0012","4.8511","0.0005","22.587","0.004","90","","98.572","0.018","90","","900.2","0.2","220","","220","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[aqua[μ-3-(3,4-dihydroxyphenyl)propenoato]lithium]","","- C9 H9 Li O5 -","- C9 H9 Li O5 -","- C36 H36 Li4 O20 -","4","1","","Bieler, Irén; Wagner, Christoph; Merzweiler, Kurt","Lithium and sodium 3-(3,4-di-hydroxy-phen-yl)propenoate hydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","401","407","10.1107/S2056989024002494","","","0.71073","MoKα","","0.0491","0.0317","","","0.0732","0.0791","","","","","","1.007","","","","has coordinates","291720","2024-05-06","04:20:18",""
"2023068","6.3289","0.0013","6.8126","0.0014","11.253","0.002","75.05","0.02","86.39","0.02","78.09","0.02","458.65","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[aqua[μ-3-(3,4-dihydroxyphenyl)propenoato]sodium]","","- C9 H9 Na O5 -","- C9 H9 Na O5 -","- C18 H18 Na2 O10 -","2","1","","Bieler, Irén; Wagner, Christoph; Merzweiler, Kurt","Lithium and sodium 3-(3,4-di-hydroxy-phen-yl)propenoate hydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","401","407","10.1107/S2056989024002494","","","0.71073","MoKα","","0.054","0.0347","","","0.087","0.0951","","","","","","0.999","","","","has coordinates","291720","2024-05-06","04:20:19",""
"2023069","12.69368","0.00009","12.69368","0.00009","11.35879","0.00013","90","","90","","90","","1830.24","0.03","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","Bromidotetrakis[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine-κN^3^]copper(II) bromide","","- C20 H28 Br2 Cu N12 S8 -","- C20 H28 Br2 Cu N12 S8 -","- C40 H56 Br4 Cu2 N24 S16 -","2","0.25","NY2003","Atashov, Aziz; Azamova, Mukhlisakhon; Ziyatov, Daminbek; Uzakbergenova, Zamira; Torambetov, Batirbay; Holczbauer, Tamas; Ashurov, Jamshid; Kadirova, Shakhnoza","Synthesis, crystal structure and Hirshfeld surface analysis of bromido-tetra-kis-[5-(prop-2-en-1-yl-sulf-an-yl)-1,3,4-thia-diazol-2-amine-κN3]copper(II) bromide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","408","412","10.1107/S2056989024002652","","","1.54184","CuKα","","0.028","0.0254","","","0.0633","0.0649","","","","","","1.052","","","","has coordinates,has disorder","291721","2024-05-06","04:20:33",""
"2023070","9.9055","0.0002","15.96","0.0003","16.4794","0.0004","90","","106.344","0.002","90","","2499.98","0.1","100","2","100","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Diamino-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-chromeno[2,3-b]pyridine-3-carbonitrile–dimethylformamide–water (1/1/1)","","- C25 H31 N5 O6 -","- C25 H31 N5 O6 -","- C100 H124 N20 O24 -","4","1","YZ2052","Metwally, Nadia H.; Elgemeie, Galal H.; Abd Al-Latif, El-Shimaa S M; Jones, Peter G.","Crystal structure of 2,4-di-amino-5-(4-hy-droxy-3-meth-oxy-phen-yl)-8,8-dimethyl-6-oxo-6,7,8,9-tetra-hydro-5H-chromeno[2,3-b]pyridine-3-carbo-nitrile-di-methyl-formamide-water (1/1/1).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","396","400","10.1107/S2056989024002615","","x-ray","0.71073","MoKα","","0.0485","0.0377","","","0.1062","0.1138","","","","","","1.037","","","","has coordinates","291722","2024-05-06","04:20:49",""
"2023071","24.069","0.003","24.069","0.003","6.4468","0.0008","90","","90","","90","","3734.7","0.8","123","2","123","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","4,4'-Dimethoxybiphenyl-3,3',5,5'-tetracarboxylic acid dihydrate","","- C18 H18 O12 -","- C18 H18 O12 -","- C144 H144 O96 -","8","0.5","EX2080","Hanauer, Thomas; Seichter, Wilhelm; Mazik, Monika","Crystal structure and Hirshfeld surface analysis of 4,4'-di-meth-oxy-biphenyl-3,3',5,5'-tetra-carb-oxy-lic acid dihydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","413","417","10.1107/S2056989024002305","","","0.71073","MoKα","","0.0617","0.0394","","","0.0824","0.0929","","","","","","1.083","","","","has coordinates","291725","2024-05-06","04:21:23",""
"2023072","6.6279","0.0015","7.3272","0.0012","8.2308","0.0015","67.271","0.017","83.403","0.017","73.006","0.017","352.58","0.13","291","","291","","","","","","","","","4","P -1","-P 1","2","(E)-3-(Pyridin-4-yl)acrylic acid","(E)-3-(Pyridin-4-yl)prop-2-enoic acid","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C16 H14 N2 O4 -","2","1","EX2082","Florez-Muñoz, Valentina; Guerrero, Andres Felipe; Macias, Mario; Illicachi, Luis Alberto; D'Vries, Richard","Synthesis, characterization and supra-molecular analysis for (E)-3-(pyridin-4-yl)acrylic acid.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","388","391","10.1107/S2056989024002627","","x-ray","1.54184","CuKα","","0.0564","0.0491","","","0.1393","0.1527","","","","","","1.037","","","","has coordinates","291726","2024-05-06","04:21:31",""
"2023073","22.8042","0.0011","4.7826","0.0002","11.7421","0.0006","90","","90","","90","","1280.63","0.1","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetate","","- C13 H13 Cl N2 O3 -","- C13 H13 Cl N2 O3 -","- C52 H52 Cl4 N8 O12 -","4","1","VM2299","Mustaphi, Nour El Hoda; Aboutofil, Fatima Ezzahra; El Houssni, Lamyae; Saif, Eiad; Mague, Joel T.; Chkirate, Karim; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-di-hydro-quinoxalin-1-yl)acetate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","430","434","10.1107/S2056989024002664","","","1.54178","CuKα","","0.0579","0.0575","","","0.1593","0.1598","","","","","","1.086","","","","has coordinates","291727","2024-05-06","04:21:42",""
"2023074","10.7108","0.0002","11.7817","0.0002","12.9233","0.0003","73.831","0.002","67.667","0.002","67.38","0.002","1375.62","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","8-Benzyl-1-[(4-methylphenyl)sulfonyl]-2,7,8,9-tetrahydro-1H-3,6:10,13-diepoxy-1,8-benzodiazacyclopentadecine ethanol hemisolvate","","- C64 H62 N4 O9 S2 -","- C64 H62 N4 O9 S2 -","- C64 H62 N4 O9 S2 -","1","0.5","VM2297","Burkin, Gleb M.; Kvyatkovskaya, Elizaveta A.; Khrustalev, Victor N.; Hasanov, Khudayar I.; Sadikhova, Nurlana D.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 8-benzyl-1-[(4-methyl-phen-yl)sulfon-yl]-2,7,8,9-tetra-hydro-1H-3,6:10,13-diep-oxy-1,8-benzodi-aza-cyclo-penta-decine ethanol hemisolvate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","418","422","10.1107/S2056989024002275","","","1.54184","CuKα","","0.0351","0.0341","","","0.0873","0.0881","","","","","","1.062","","","","has coordinates,has disorder","291730","2024-05-06","04:22:10",""
"2023075","5.6768","0.0003","12.0747","0.0006","18.1912","0.0009","87.071","0.004","82.11","0.004","81.11","0.004","1219.72","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-Phenyl-2-(phenylsulfanyl)acetamide","","- C14 H13 N O S -","- C14 H13 N O S -","- C56 H52 N4 O4 S4 -","4","2","YZ2049","Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Elgemeie, Galal H.","Synthesis and crystal structure of N-phenyl-2-(phenyl-sulfan-yl)acetamide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","392","395","10.1107/S2056989024002573","","","0.71073","MoKα","","0.0778","0.0578","","","0.1526","0.1622","","","","","","1.033","","","","has coordinates","291732","2024-05-06","04:22:32",""
"2023077","5.9454","0.0002","7.9543","0.0003","12.0673","0.0004","72.124","0.003","79.661","0.003","86.052","0.003","534.25","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","Tetramethyl (E)-4,4'-(ethene-1,2-diyl)bis(5-nitrobenzene-1,2-dicarboxylate)","","- C22 H18 N2 O12 -","- C22 H18 N2 O12 -","- C22 H18 N2 O12 -","1","0.5","WM5712","Businski, Artjom; Ta, Thuy C.; Gindullis, Niklas; Näther, Christian; Herges, Rainer","Synthesis and crystal structure of tetra-methyl (E)-4,4'-(ethene-1,2-di-yl)bis-(5-nitro-benzene-1,2-di-carboxyl-ate).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","435","438","10.1107/S2056989024002676","","x-ray","1.54184","CuKα","","0.0458","0.0429","","","0.1224","0.1247","","","","","","1.087","","","","has coordinates","291717","2024-05-06","04:19:40",""
"2023152","7.6794","0.0016","20.987","0.004","10.0514","0.0019","90","","95.123","0.003","90","","1613.5","0.5","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[1'-(Carboxymethyl)-4,4'-bipyridine-1,1'-diium-1-yl]acetate tetrafluoroborate","","- C14 H14 B F4 N2 O4.5 -","- C14 H13 B F4 N2 O4.5 -","- C56 H52 B4 F16 N8 O18 -","4","1","JP2007","Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro","Crystal structures of 1,1'-bis-(carb-oxy-meth-yl)-4,4'-bipyridinium derivatives.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","695","698","10.1107/S2056989024005127","","","0.71075","MoKα","","0.0589","0.051","","","0.1255","0.1315","","","","","","1.051","","","","has coordinates,has disorder","293987","2024-08-06","22:03:55",""
"2023153","6.2521","0.0002","11.4122","0.0004","11.1413","0.0004","90","","99.4832","0.0014","90","","784.07","0.05","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1'-Bis(carboxylatomethyl)-4,4'-bipyridine-1,1'-diium","","- C14 H20 N2 O8 -","- C14 H20 N2 O8 -","- C28 H40 N4 O16 -","2","0.5","JP2007","Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro","Crystal structures of 1,1'-bis-(carb-oxy-meth-yl)-4,4'-bipyridinium derivatives.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","695","698","10.1107/S2056989024005127","","","0.71075","MoKα","","0.0494","0.0479","","","0.1211","0.1227","","","","","","1.11","","","","has coordinates","293987","2024-08-06","22:03:55",""
"2023154","9.22549","0.0001","20.8037","0.0002","15.87594","0.00019","90","","92.7309","0.0011","90","","3043.52","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Phenyl-2-(thiophen-3-yl)-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-one","","- C17 H12 N2 O S2 -","- C17 H12 N2 O S2 -","- C136 H96 N16 O8 S16 -","8","2","TX2086","Yennawar, Hemant P.; Mal, Tapas K.; Olsen, Mark A.; Lagalante, Anthony F.; Louca, Evelyn M.; Gavalis, Aloura D.; Silverberg, Lee J.","Synthesis and crystal structures of two racemic 2-heteroaryl-3-phenyl-2,3-di-hydro-4H-pyrido[3,2-e][1,3]thia-zin-4-ones.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","699","703","10.1107/S2056989024005103","","x-ray","1.54184","CuKα","","0.0447","0.0352","","","0.091","0.0962","","","","","","1.073","","","","has coordinates,has disorder","294010","2024-08-06","22:08:33",""
"2023155","28.2424","0.0004","11.0307","0.0001","28.6936","0.0004","90","","111.952","0.002","90","","8290.9","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(1H-Indol-3-yl)-3-phenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-one 0.438-hydrate","","- C21 H15.438 N3 O1.44 S -","- C21 H15 N3 O1.4375 S -","- C336 H240 N48 O23 S16 -","16","2","","Yennawar, Hemant P.; Mal, Tapas K.; Olsen, Mark A.; Lagalante, Anthony F.; Louca, Evelyn M.; Gavalis, Aloura D.; Silverberg, Lee J.","Synthesis and crystal structures of two racemic 2-heteroaryl-3-phenyl-2,3-di-hydro-4H-pyrido[3,2-e][1,3]thia-zin-4-ones.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","699","703","10.1107/S2056989024005103","","x-ray","1.54184","CuKα","","0.0757","0.0677","","","0.2064","0.2179","","","","","","1.091","","","","has coordinates,has disorder","294010","2024-08-06","22:08:33",""
"2023156","9.3825","0.0001","39.9164","0.0003","15.992","0.0001","90","","104.217","0.001","90","","5805.82","0.09","100.15","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diisoselenocyanatotetrakis(2-methylpyridine N-oxide)cobalt(II)","","- C26 H28 Co N6 O4 Se2 -","- C26 H28 Co N6 O4 Se2 -","- C208 H224 Co8 N48 O32 Se16 -","8","2","HB8098","Näther, Christian; Jess, Inke","Syntheses and crystal structures of the five- and sixfold coordinated complexes diiso-seleno-cyanato-tris-(2-methyl-pyridine N-oxide)cobalt(II) and diiso-seleno-cyanato-tetra-kis-(2-methyl-pyridine N-oxide)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","704","708","10.1107/S2056989024005073","","x-ray","1.54184","CuKα","","0.0402","0.0379","","","0.1068","0.1085","","","","","","1.046","","","","has coordinates","294011","2024-08-06","22:08:45",""
"2023157","12.07686","0.00006","26.47661","0.00016","7.25623","0.00004","90","","104.276","0.0005","90","","2248.56","0.02","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","Diisoselenocyanatotris(2-methylpyridine N-oxide)cobalt(II)","","- C20 H21 Co N5 O3 Se2 -","- C20 H21 Co N5 O3 Se2 -","- C80 H84 Co4 N20 O12 Se8 -","4","1","HB8098","Näther, Christian; Jess, Inke","Syntheses and crystal structures of the five- and sixfold coordinated complexes diiso-seleno-cyanato-tris-(2-methyl-pyridine N-oxide)cobalt(II) and diiso-seleno-cyanato-tetra-kis-(2-methyl-pyridine N-oxide)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","704","708","10.1107/S2056989024005073","","x-ray","1.54184","CuKα","","0.0197","0.0195","","","0.0619","0.0621","","","","","","0.829","","","","has coordinates","294011","2024-08-06","22:08:46",""
"2023158","6.6419","0.0016","7.6512","0.0019","15.837","0.004","99.458","0.006","98.02","0.006","97.046","0.006","777.3","0.3","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","6,6'-Dimethyl-2,2'-bipyridine-1,1'-diium tetrachloridocobaltate(II)","","- C12 H14 Cl4 Co N2 -","- C12 H14 Cl4 Co N2 -","- C24 H28 Cl8 Co2 N4 -","2","1","HB8095","Jagadeesan, Sivaraman; Robert, Swinton Darious; Venkatesan, Perumal; Sundararaj, Rajamanikandan; Soundararajan, Krishnan; Nithianantham, Jeeva Jasmine","Crystal structure and Hirshfeld surface analysis of 6,6'-dimethyl-2,2'-bi-pyridine-1,1'-diium tetra-chlorido-cobaltate(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","709","712","10.1107/S2056989024005152","","","0.71073","MoKα","","0.0305","0.0291","","","0.0798","0.0811","","","","","","1.029","","","","has coordinates","293994","2024-08-06","22:05:22",""
"2023159","16.6906","0.0003","16.6906","0.0003","9.1346","0.0002","90","","90","","120","","2203.76","0.07","180","2","180","2","","","","","","","","6","P -3","-P 3","147","","Tris{N,N-diethyl-N'-[(4-nitrophenyl)(oxo)methyl]carbamimidothioato}cobalt(III)","","- C36 H42 Co N9 O9 S3 -","- C36 H42 Co N9 O9 S3 -","- C72 H84 Co2 N18 O18 S6 -","2","0.333333","NX2011","Roecker, Lee; Parkin, Sean","Crystal structure of tris-{N,N-diethyl-N'-[(4-nitro-phen-yl)(oxo)meth-yl]carbamimido-thio-ato}cobalt(III).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","713","716","10.1107/S2056989024005449","","","1.54178","CuKα","","0.0311","0.0299","","","0.0823","0.0833","","","","","","1.083","","","","has coordinates","294005","2024-08-06","22:07:38",""
"2023160","12.4181","0.0008","13.8092","0.0008","17.6498","0.0011","90","","93.36","0.002","90","","3021.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(μ~2~-perfluoro-o-phenylene)(μ~2~-3-phenyl-4H-chromen-4-one)-triangulo-trimercury","","- C33 H10 F12 Hg3 O2 -","- C33 H10 F12 Hg3 O2 -","- C132 H40 F48 Hg12 O8 -","4","1","DJ2077","Novikov, Egor M.; Castañeda, Raúl; Fonari, Marina S.; Timofeeva, Tatiana V.","A 1:1 flavone cocrystal with cyclic trimeric perfluoro-o-phenyl-enemercury.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","717","720","10.1107/S2056989024005346","","x-ray","0.71073","MoKα","","0.0313","0.0232","","","0.0497","0.0521","","","","","","1.051","","","","has coordinates","293992","2024-08-06","22:05:06",""
"2023161","6.2517","0.0002","5.4935","0.0002","14.5686","0.0006","90","","91.147","0.004","90","","500.24","0.03","90","0.5","90","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Glycyl-L-methionine","","- C7 H14 N2 O3 S -","- C7 H14 N2 O3 S -","- C14 H28 N4 O6 S2 -","2","1","HB8099","Babu, Sainath; Fronczek, Frank R.; Uppu, Rao M.; Claville, Michelle O.","Crystal structures of the isomeric dipeptides l-glycyl-l-me-thio-nine and l-me-thionyl-l-glycine.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","725","728","10.1107/S2056989024005504","","","0.71073","MoKα","","0.0399","0.0332","","","0.0756","0.0792","","","","","","1.044","","","","has coordinates","294001","2024-08-06","22:06:49",""
"2023162","5.2521","0.0003","11.4126","0.0007","16.5403","0.001","90","","90","","90","","991.43","0.1","90","0.5","90","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-Methionyl-L-glycine","","- C7 H14 N2 O3 S -","- C7 H14 N2 O3 S -","- C28 H56 N8 O12 S4 -","4","1","HB8099","Babu, Sainath; Fronczek, Frank R.; Uppu, Rao M.; Claville, Michelle O.","Crystal structures of the isomeric dipeptides l-glycyl-l-me-thio-nine and l-me-thionyl-l-glycine.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","725","728","10.1107/S2056989024005504","","","0.71073","MoKα","","0.0251","0.0231","","","0.0603","0.0612","","","","","","1.055","","","","has coordinates","294001","2024-08-06","22:06:51",""
"2023163","22.9963","0.0003","22.9963","0.0003","22.9963","0.0003","90","","90","","90","","12161.1","0.3","298","","298","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","Caesium thallium chloride phosphotungstate","","- Cl30 Cs36 O160 P4 Tl2 W48 -","- Cl30 Cs36 O160 P4 Tl2 W48 -","- Cl60 Cs72 O320 P8 Tl4 W96 -","2","0.0104167","OX2004","Deblonde, Gauthier; Colliard, Ian","Crystal structure of hexa-chloro-thallate within a caesium chloride-phospho-tungstate lattice Cs9(TlCl6)(PW12O40)2·9CsCl.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","721","724","10.1107/S2056989024005565","","","0.71073","MoKα","","0.0438","0.0416","","","0.1147","0.1158","","","","","","1.197","","","","has coordinates","294002","2024-08-06","22:07:09",""
"2023164","18.5651","0.0009","7.6604","0.0004","15.4897","0.0011","90","","95.472","0.002","90","","2192.8","0.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(N-{2-[(2-Aminoethyl)amino]ethyl}-4'-methyl-[1,1'-biphenyl]-4-sulfonamidato)tricarbonylrhenium(I)","","- C20 H22 N3 O5 Re S -","- C20 H22 N3 O5 Re S -","- C80 H88 N12 O20 Re4 S4 -","4","1","VM2303","Kaluthanthiri, Dinithi; Perera, Theshini; Fronczek, Frank R.","Synthesis, spectroscopic analysis and crystal structure of (N-{2-[(2-amino-eth-yl)amino]-eth-yl}-4'-methyl-[1,1'-biphenyl]-4-sulfonamidato)tri-carb-on-ylrhenium(I).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","742","745","10.1107/S2056989024005656","","","0.71073","MoKα","","0.0639","0.0348","","","0.0617","0.0706","","","","","","1.083","","","","has coordinates","293989","2024-08-06","22:04:26",""
"2023165","4.8817","0.0001","16.8263","0.0002","22.4354","0.0002","90","","90.675","0.001","90","","1842.74","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(2-aminobenzimidazolium) catena-[metavanadate(V)]","catena-Poly[2-aminobenzimidazolium [[dioxidovanadium(V)]-μ-oxido]]","","- C14 H16 N6 O6 V2 -","- C14 H16 N6 O6 V2 -","- C56 H64 N24 O24 V8 -","4","1","WM5720","Jabborova, Kholida; Ashurov, Jamshid; Tojiboev, Akmaljon; Daminova, Shahlo","Synthesis and crystal structure of bis-(2-aminobenzimidazolium) catena-[metavanadate(V)].","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","751","754","10.1107/S2056989024005528","","","1.54184","CuKα","","0.0308","0.0299","","","0.0829","0.0835","","","","","","1.071","","","","has coordinates","293993","2024-08-06","22:05:14",""
"2023166","9.9343","0.0002","10.9767","0.0003","26.4168","0.0006","86.993","0.002","82.468","0.002","77.3","0.002","2785.09","0.12","99.96","0.18","99.96","0.18","","","","","","","","8","P -1","-P 1","2","","Tricarbonyl[η^4^-6-exo-(triphenylphosphino)cyclohepta-2,4-dien-1-one]\ iron(0) tetrafluoroborate dichloromethane hemisolvate","","- C28.5 H23 B Cl F4 Fe O4 P -","- C28.5 H23 B Cl F4 Fe O4 P -","- C114 H92 B4 Cl4 F16 Fe4 O16 P4 -","4","2","VU2002","Wong, Kelsey C.; Reinheimer, Eric W.; Nataro, Chip; Griffith, Daniel R.","Crystal structure of tricarbon-yl[η4-6-exo-(tri-phenyl-phosphino)cyclo-hepta-2,4-dien-1-one]iron(0) tetra-fluoro-borate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","746","750","10.1107/S2056989024005747","","x-ray","0.71073","MoKα","","0.0606","0.0409","","","0.0957","0.1032","","","","","","1.029","","","","has coordinates","293995","2024-08-06","22:05:33",""
"2023167","16.3717","0.0007","6.3844","0.0003","16.185","0.0008","90","","116.649","0.006","90","","1512","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-methylpyridine)gold(I) dibromidoaurate(I)","","- C12 H14 Au2 Br2 N2 -","- C12 H14 Au2 Br2 N2 -","- C48 H56 Au8 Br8 N8 -","4","0.5","YZ2055","Döring, Cindy; Jones, Peter G.","Crystal structures of four gold(I) complexes [AuL 2]+[AuX 2]- and a by-product (L·LH+)[AuBr2]- (L = substituted pyridine, X = Cl or Br).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","729","737","10.1107/S2056989024005437","","","0.71073","MoKα","","0.029","0.019","","","0.0378","0.0407","","","","","","1.104","","","","has coordinates","293998","2024-08-06","22:06:05",""
"2023168","16.738","0.0006","6.44097","0.00013","8.1923","0.0003","90","","120.415","0.005","90","","761.66","0.06","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis(3-methylpyridine)gold(I) dibromidoaurate(I)","","- C12 H14 Au2 Br2 N2 -","- C12 H14 Au2 Br2 N2 -","- C24 H28 Au4 Br4 N4 -","2","0.25","YZ2055","Döring, Cindy; Jones, Peter G.","Crystal structures of four gold(I) complexes [AuL 2]+[AuX 2]- and a by-product (L·LH+)[AuBr2]- (L = substituted pyridine, X = Cl or Br).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","729","737","10.1107/S2056989024005437","","","0.71073","MoKα","","0.0157","0.0128","","","0.0283","0.0293","","","","","","1.12","","","","has coordinates","293998","2024-08-06","22:06:05",""
"2023169","6.7718","0.0003","8.5627","0.0005","15.1064","0.0008","105.356","0.005","90.788","0.004","96.311","0.004","838.71","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dimethylpyridine)gold(I) dichloridoaurate(I)","","- C14 H18 Au2 Cl2 N2 -","- C14 H18 Au2 Cl2 N2 -","- C28 H36 Au4 Cl4 N4 -","2","1","YZ2055","Döring, Cindy; Jones, Peter G.","Crystal structures of four gold(I) complexes [AuL 2]+[AuX 2]- and a by-product (L·LH+)[AuBr2]- (L = substituted pyridine, X = Cl or Br).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","729","737","10.1107/S2056989024005437","","","0.71073","MoKα","","0.0323","0.022","","","0.0367","0.0395","","","","","","1.062","","","","has coordinates","293998","2024-08-06","22:06:06",""
"2023170","6.8343","0.0002","8.6676","0.0003","15.4049","0.0006","105.72","0.003","90.741","0.003","98.242","0.003","868.05","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(3,5-dimethylpyridine)gold(I) dibromidoaurate(I)","","- C14 H18 Au2 Br2 N2 -","- C14 H18 Au2 Br2 N2 -","- C28 H36 Au4 Br4 N4 -","2","1","YZ2055","Döring, Cindy; Jones, Peter G.","Crystal structures of four gold(I) complexes [AuL 2]+[AuX 2]- and a by-product (L·LH+)[AuBr2]- (L = substituted pyridine, X = Cl or Br).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","729","737","10.1107/S2056989024005437","","","0.71073","MoKα","","0.0373","0.026","","","0.0503","0.054","","","","","","1.045","","","","has coordinates","293998","2024-08-06","22:06:06",""
"2023171","7.9931","0.0004","8.4672","0.0003","11.3923","0.0005","87.202","0.004","74.635","0.004","81.406","0.004","735.08","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-Bromopyridinium dibromidoaurate(I)–2-bromopyridine (1/1)","","- C10 H9 Au Br4 N2 -","- C10 H9 Au Br4 N2 -","- C20 H18 Au2 Br8 N4 -","2","1","YZ2055","Döring, Cindy; Jones, Peter G.","Crystal structures of four gold(I) complexes [AuL 2]+[AuX 2]- and a by-product (L·LH+)[AuBr2]- (L = substituted pyridine, X = Cl or Br).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","729","737","10.1107/S2056989024005437","","","0.71073","MoKα","","0.0285","0.0228","","","0.046","0.048","","","","","","1.072","","","","has coordinates","293998","2024-08-06","22:06:06",""
"2023172","6.2805","0.0002","7.6549","0.0002","19.3578","0.0008","90","","99.372","0.002","90","","918.23","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Dimethyl(phenyl)phosphine sulfide","Dimethyl(phenyl)phosphanethione","","- C8 H11 P S -","- C8 H11 P S -","- C32 H44 P4 S4 -","4","1","HB8100","Risken, Robin; Kuzu, Yasin Mehmet; Schmidt, Annika; Strohmann, Carsten","Crystal structure and Hirshfeld surface analysis of dimeth-yl(phen-yl)phosphine sulfide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","755","758","10.1107/S2056989024005668","","","1.54178","CuKα","","0.027","0.0243","","","0.0624","0.0642","","","","","","1.057","","","","has coordinates","294000","2024-08-06","22:06:28",""
"2023173","7.8966","0.0004","8.3394","0.0004","9.0089","0.0004","90","","100.546","0.005","90","","583.24","0.05","200","0.1","200","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Bromoethylammonium bromide","","- C2 H7 Br2 N -","- C2 H7 Br2 N -","- C8 H28 Br8 N4 -","4","1","WM5723","Semenikhin, Oleksandr A.; Shova, Sergiu; Golenya, Irina A.; Naumova, Dina D.; Gural'skiy, Il'ya A.","Crystal structure and Hirshfeld surface analysis of 2-bromo-ethyl-ammonium bromide - a possible side product upon synthesis of hybrid perovskites.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","738","741","10.1107/S2056989024005619","","x-ray","0.71073","MoKα","","0.0305","0.0236","","","0.0525","0.0541","","","","","","1.037","","","","has coordinates","294006","2024-08-06","22:07:45",""
"2023174","7.0695","0.0003","7.4842","0.0003","26.9573","0.001","90","","90","","90","","1426.3","0.1","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2,3,4-Tetrahydroisoquinolinium D-hydrogen tartrate monohydrate","1,2,3,4-Tetrahydroisoquinolin-2-ium (2S,3S)-3-carboxy-2,3-dihydroxypropanoate monohydrate","","- C13 H19 N O7 -","- C13 H19 N O7 -","- C52 H76 N4 O28 -","4","1","TX2087","Seidel, Rüdiger W; Kolev, Tsonko M.","Crystal structure of 1,2,3,4-tetra-hydro-isoquinolin-2-ium (2S,3S)-3-carb-oxy-2,3-di-hydroxy-propano-ate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","763","766","10.1107/S2056989024005711","","x-ray","0.71073","MoKα","","0.0473","0.0367","","","0.0734","0.0776","","","","","","1.036","","","","has coordinates","293990","2024-08-06","22:04:34",""
"2023175","9.57455","0.00013","9.2966","0.00017","14.5761","0.0002","90","","100.952","0.0014","90","","1273.8","0.03","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Oxo-2H-chromen-4-yl pentanoate","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","OX2005","Bationo, Valentin; Kambo, Konan René; Sombié, Charles Bavouma; Semdé, Rasmané; Francotte, Pierre; Djandé, Abdoulaye","Synthesis, structure and Hirshfeld surface analysis of 2-oxo-2H-chromen-4-yl penta-noate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","767","770","10.1107/S205698902400584X","","","1.54184","CuKα","","0.0628","0.056","","","0.1665","0.1749","","","","","","1.078","","","","has coordinates","294003","2024-08-06","22:07:17",""
"2023176","11.184","0.002","5.2951","0.0006","20.544","0.003","90","","96.137","0.006","90","","1209.7","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-(Allylthio)pyridine 1,2,4,5-tetrafluoro-3,6-diiodobenzene","Bis[2-(prop-2-en-1-ylsulfanyl)pyridine] 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C11 H9 F2 I N S -","- C22 H18 F4 I2 N2 S2 -","- C44 H36 F8 I4 N4 S4 -","2","0.5","VM2304","Risken, Robin; Schrimpf, Tobias; Klotz, Franziska Dorothea; Strohmann, Carsten","Crystal structure and Hirshfeld surface analysis of a halogen bond between 2-(allyl-thio)-pyridine and 1,2,4,5-tetra-fluoro-3,6-di-iodo-benzene.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","759","762","10.1107/S2056989024005693","","x-ray","0.71073","MoKα","","0.0218","0.0194","","","0.0455","0.0469","","","","","","1.12","","","","has coordinates","294004","2024-08-06","22:07:29",""
"2023177","20.0352","0.0012","9.1536","0.0005","19.2268","0.0012","90","","116.783","0.006","90","","3147.8","0.4","220","2","220.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bis(4-methylpyridine-κN)nickel(II)]-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N]","","- C14 H14 N4 Ni S2 -","- C14 H14 N4 Ni S2 -","- C112 H112 N32 Ni8 S16 -","8","1","HB8101","Näther, Christian; Mangelsen, Sebastian","Synthesis, crystal structure and thermal properties of catena-poly[[bis-(4-methyl-pyridine)-nickel(II)]-di-μ-thio-cyanato], which shows an alternating all-trans and cis-cis-trans-coordination of the NiS2Np 2Nt 2 octa-hedra (p = 4-methyl-pyridine, t = thio-cyanate).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","771","776","10.1107/S2056989024005887","","","0.71073","MoKα","","0.0453","0.0344","","","0.0865","0.0913","","","","","","1.028","","","","has coordinates","294007","2024-08-06","22:07:54",""
"2023178","12.4617","0.0005","7.0766","0.0003","13.65","0.0005","90","","96.085","0.001","90","","1196.96","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-4-(methylsulfanyl)-3a,7a-dihydro-1H-pyrazolo[3,4-d]pyrimidine","","- C13 H12 N4 S -","- C13 H12 N4 S -","- C52 H48 N16 S4 -","4","1","WM5721","Mustaphi, Nour El Hoda; Chlouchi, Amina; El Hafi, Mohamed; Mague, Joel T.; Hökelek, Tuncer; El Monfalouti, Hanae; Haoudi, Amal; Mazzah, Ahmed","Crystal structure determination and analyses of Hirshfeld surface, crystal voids, inter-molecular inter-action energies and energy frameworks of 1-benzyl-4-(methyl-sulfan-yl)-3a,7a-di-hydro-1H-pyrazolo-[3,4-d]pyrimidine.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","783","788","10.1107/S2056989024005954","","","1.54178","CuKα","","0.0498","0.0487","","","0.1338","0.1349","","","","","","1.1","","","","has coordinates","293996","2024-08-06","22:05:41",""
"2023179","9.2092","0.0006","9.0576","0.0006","20.4085","0.0013","90","","101.518","0.002","90","","1668.06","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-[6-Bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one","","- C19 H18 Br F N2 O -","- C19 H18 Br F N2 O -","- C76 H72 Br4 F4 N8 O4 -","4","1","EX2084","Pronina, Anastasia A.; Podrezova, Alexandra G.; Grigoriev, Mikhail S.; Hasanov, Khudayar I.; Sadikhova, Nurlana D.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(4-fluoro-phen-yl)-1,2,3,4-tetra-hydroquinolin-4-yl]pyrrolidin-2-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","777","782","10.1107/S2056989024005826","","","0.71073","MoKα","","0.0574","0.0345","","","0.0659","0.0723","","","","","","1.019","","","","has coordinates","293997","2024-08-06","22:05:50",""
"2023180","24.1937","0.0003","17.01202","0.00019","28.6422","0.0003","90","","90.5965","0.0011","90","","11788","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Pentaaqua(cucurbit[6]uril-κ^2^O,O')(nitrato-κ^2^O,O')praseodymium(III) dinitrate 9.56-hydrate","","- C36 H65.11 N27 O35.56 Pr -","- C36 H65.11 N27 O35.555 Pr -","- C288 H520.88 N216 O284.44 Pr8 -","8","2","EX2083","Fedorenko, George V.; Zbruyev, Oleksandr I.; Pavlishchuk, Anna V.; Oleksenko, Lyudmila P.; Shova, Sergiu G.; Chebanov, Valentyn A.; Pavlishchuk, Vitaly V.","The crystal structure of a mononuclear PrIII complex with cucurbit[6]uril.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","789","794","10.1107/S2056989024005760","","x-ray","0.71073","MoKα","","0.0509","0.037","","","0.0806","0.0872","","","","","","1.036","","","","has coordinates,has disorder","293999","2024-08-06","22:06:20",""
"2023181","8.7491","0.0002","13.2133","0.0003","21.3793","0.0005","88.914","0.002","82.29","0.002","88.989","0.002","2448.48","0.1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Aqua-1κO-di-μ-chlorido-1:2κ^4^Cl:Cl-dichlorido-1κCl,2κCl-bis[6-(diethylamino)-4-phenyl-2-(pyridin-2-yl)quinoline]-1κ^2^N^1^,N^2^;2κ^2^N^1^,N^2^-dimanganese(II)","","- C48 H48 Cl4 Mn2 N6 O -","- C48 H48 Cl4 Mn2 N6 O -","- C96 H96 Cl8 Mn4 N12 O2 -","2","1","WM5726","Le Thi Hong, Hai; Hoang Tuan, Duong; Nguyen Duc, Anh; Nguyen, Hien; Van Meervelt, Luc","Synthesis, crystal structure and photophysical properties of a dinuclear MnII complex with 6-(di-ethyl-amino)-4-phenyl-2-(pyridin-2-yl)quinoline.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","795","799","10.1107/S2056989024006042","","x-ray","0.71073","MoKα","","0.0563","0.0435","","","0.1248","0.1388","","","","","","0.862","","","","has coordinates,has disorder","293988","2024-08-06","22:04:14",""
"2023182","5.6651","0.0005","5.7566","0.0006","13.2321","0.0009","90","","101.732","0.004","90","","422.51","0.06","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Benzyl-1H-pyrazole","","- C10 H10 N2 -","- C10 H10 N2 -","- C20 H20 N4 -","2","1","VM2305","Hayward, Emily R.; Zeller, Matthias; Mezei, Gellert","Chiral versus achiral crystal structures of 4-benzyl-1H-pyrazole and its 3,5-di-amino derivative.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","800","805","10.1107/S2056989024006182","","","1.54178","CuKα","","0.0369","0.032","","","0.0835","0.0843","","","","","","1.08","","","","has coordinates","293991","2024-08-06","22:04:55",""
"2023183","17.41","0.002","4.7271","0.0007","11.4664","0.0015","90","","98.247","0.006","90","","933.9","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5-Diamino-4-benzyl-1H-pyrazole","","- C10 H12 N4 -","- C10 H12 N4 -","- C40 H48 N16 -","4","1","","Hayward, Emily R.; Zeller, Matthias; Mezei, Gellert","Chiral versus achiral crystal structures of 4-benzyl-1H-pyrazole and its 3,5-di-amino derivative.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","800","805","10.1107/S2056989024006182","","","1.54178","CuKα","","0.043","0.0376","","","0.0932","0.0952","","","","","","1.026","","","","has coordinates","293991","2024-08-06","22:04:56",""
"2023184","4.8296","0.0001","6.2703","0.0001","16.9551","0.0002","90","","92.214","0.001","90","","513.069","0.015","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Chlorothiazide","6-Chloro-1,1-dioxo-2H-1,2,4-benzothiazine-7-sulfonamide","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C14 H12 Cl2 N6 O8 S4 -","2","1","VU2004","Brydson, Rowan K. H.; Kennedy, Alan R.","A monoclinic polymorph of chloro-thia-zide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","806","810","10.1107/S2056989024006078","","","1.54184","CuKα","","0.0289","0.0281","","","0.0774","0.0779","","","","","","1.061","","","","has coordinates","294008","2024-08-06","22:08:02",""
"2023185","10.6402","0.0007","11.773","0.0008","15.1884","0.0009","82.353","0.005","86.526","0.005","69.248","0.005","1763.2","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-acetato-κ^2^O:O')bis{[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene-κC^2^]chromium(II)} tetrahydrofuran disolvate","","- C70 H100 Cr2 N4 O10 -","- C70 H100 Cr2 N4 O10 -","- C70 H100 Cr2 N4 O10 -","1","0.5","JQ2035","Heiser, Christian; Merzweiler, Kurt","Two chromium(II) acetate complexes with N-heterocyclic carbene (NHC) coligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","811","815","10.1107/S2056989024005796","","","0.71073","MoKα","","0.0826","0.048","","","0.1214","0.1331","","","","","","0.937","","","","has coordinates,has disorder","294009","2024-08-06","22:08:13",""
"2023186","8.3679","0.0005","11.6127","0.0008","13.8355","0.0009","68.949","0.005","83.891","0.005","71.508","0.005","1189.9","0.14","170","","170","","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-acetato-κ^2^O:O')bis{[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene-κC^2^]chromium(II)},","","- C50 H60 Cr2 N4 O8 -","- C50 H60 Cr2 N4 O8 -","- C50 H60 Cr2 N4 O8 -","1","0.5","","Heiser, Christian; Merzweiler, Kurt","Two chromium(II) acetate complexes with N-heterocyclic carbene (NHC) coligands.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 7","811","815","10.1107/S2056989024005796","","x-ray","0.71073","MoKα","","0.0656","0.0418","","","0.1049","0.1116","","","","","","0.913","","","","has coordinates","294009","2024-08-06","22:08:13",""
"2244219","7.8434","0.0005","7.0795","0.0004","10.9133","0.0007","90","","102.836","0.008","90","","590.84","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dirubidium cobalt(II) bis(oxalate) tetrahydrate","Dirubidium diaquadioxalatocobalt(II) dihydrate","","- C4 H8 Co O12 Rb2 -","- C4 H8 Co O12 Rb2 -","- C8 H16 Co2 O24 Rb4 -","2","0.5","WM5668","Clulow, Rebecca; Lightfoot, Philip","Syntheses and crystal structures of three novel oxalate coordination compounds: Rb2Co(C2O4)2·4H2O, Rb2CoCl2(C2O4) and K2Li2Cu(C2O4)3·2H2O.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","267","271","10.1107/S2056989023001822","","","0.71075","MoKα","","0.0254","0.0206","","","0.0484","0.0496","","","","","","0.974","","","","has coordinates,has Fobs","283575","2023-05-06","10:44:00",""
"2244220","5.3445","0.0003","6.438","0.0004","12.5866","0.0008","90","","90","","90","","433.08","0.05","173","2","173","2","","","","","","","","5","I m m m","-I 2 2","71","Dirubidium cobalt(II) dichloride oxalate","catena-Poly[dirubidium [[dichloridocobalt(II)]-μ-oxalato]]","","- C2 Cl2 Co O4 Rb2 -","- C2 Cl2 Co O4 Rb2 -","- C4 Cl4 Co2 O8 Rb4 -","2","0.125","WM5668","Clulow, Rebecca; Lightfoot, Philip","Syntheses and crystal structures of three novel oxalate coordination compounds: Rb2Co(C2O4)2·4H2O, Rb2CoCl2(C2O4) and K2Li2Cu(C2O4)3·2H2O.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","267","271","10.1107/S2056989023001822","","","0.71075","MoKα","","0.0193","0.0177","","","0.0421","0.0427","","","","","","1.112","","","","has coordinates,has Fobs","283575","2023-05-06","10:44:01",""
"2244221","6.1847","0.0004","7.2575","0.0005","8.1795","0.0005","101.327","0.011","91.723","0.011","113.563","0.011","327.56","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Dipotassium dilithium copper(II) tris(oxalate) dihydrate","Poly[dipotassium [tri-μ-oxalatocopper(II)dilithium] dihydrate]","","- C6 H4 Cu K2 Li2 O14 -","- C6 H4 Cu K2 Li2 O14 -","- C6 H4 Cu K2 Li2 O14 -","1","0.5","WM5668","Clulow, Rebecca; Lightfoot, Philip","Syntheses and crystal structures of three novel oxalate coordination compounds: Rb2Co(C2O4)2·4H2O, Rb2CoCl2(C2O4) and K2Li2Cu(C2O4)3·2H2O.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","267","271","10.1107/S2056989023001822","","","0.71075","MoKα","","0.0591","0.0447","","","0.1113","0.1144","","","","","","0.935","","","","has coordinates,has Fobs","283575","2023-05-06","10:44:01",""
"2244222","22.7715","0.0019","17.2794","0.0015","25.64","0.003","90","","112.297","0.001","90","","9334.4","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(5E,5'E,6Z,6'Z)-6,6'-[Ethane-1,2-diylbis(azanylylidene)]bis{5-[2-(4-fluorophenyl)hydrazono]-3,3-dimethylcyclohexanone} 2.5-hydrate","","- C30 H39 F2 N6 O4.5 -","- C30 H39 F2 N6 O4.5 -","- C360 H468 F24 N72 O54 -","12","1.5","ZV2022","Kurbanova, Malahat Musrat; Faizi, Md Serajul Haque; Cinar, Emine Berrin; Jamal, Asif; Çemberci, Mustafa; Sadigova, Arzu; Askerov, Rizvan; Dege, Necmi; Nabi, Tahera","Crystal structure, Hirshfeld surface analysis and DFT study of (5E,5'E,6Z,6'Z)-6,6'-[ethane-1,2-diyl-bis(aza-nylyl-idene)]bis-{5-[2-(4-fluoro-phen-yl)hydra-zono]-3,3-di-methyl-cyclo-hexa-none} 2.5-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","297","301","10.1107/S2056989023001895","","","0.71073","MoKα","","0.1345","0.0584","","","0.1482","0.1925","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","283576","2023-05-06","10:44:12",""
"2244223","8.3881","0.0004","24.3653","0.0009","9.2614","0.0005","90","","107.724","0.004","90","","1802.99","0.15","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Diphenyl-2-[1-(propylamino)ethylidene]propanediamide","","- C20 H23 N3 O2 -","- C20 H23 N3 O2 -","- C80 H92 N12 O8 -","4","1","PK2679","Herbig, Marcus; Böhme, Uwe","Two polymorphs of N,N'-diphenyl-2-[1-(propyl-amino)-ethyl-idene]propanedi-amide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","308","312","10.1107/S2056989023002141","","","0.71073","MoKα","","0.0742","0.0514","","","0.1119","0.1291","","","","","","1.153","","","","has coordinates,has Fobs","283580","2023-05-06","10:45:34",""
"2244224","27.7071","0.0011","27.7071","0.0011","9.4575","0.0004","90","","90","","90","","7260.4","0.5","193","2","193","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","N,N'-Diphenyl-2-[1-(propylamino)ethylidene]propanediamide","","- C20 H23 N3 O2 -","- C20 H23 N3 O2 -","- C320 H368 N48 O32 -","16","1","PK2679","Herbig, Marcus; Böhme, Uwe","Two polymorphs of N,N'-diphenyl-2-[1-(propyl-amino)-ethyl-idene]propanedi-amide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","308","312","10.1107/S2056989023002141","","","0.71073","MoKα","","0.0851","0.0516","","","0.1113","0.1321","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","283580","2023-05-06","10:45:35",""
"2244225","23.282","0.006","5.1926","0.0001","17.738","0.005","90","","117.974","0.004","90","","1893.9","0.7","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[(2-amino-3-methylpyridine)-μ~3~-phosphonato-zinc] hemihydrate]","","- C12 H20 N4 O7 P2 Zn2 -","- C12 H20 N4 O7 P2 Zn2 -","- C48 H80 N16 O28 P8 Zn8 -","4","0.5","PK2681","Wark, Stephen; Lyons, Megan J.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Consistent zincophosphite 4-ring 'ladder' chain structural motif with isomeric ligands.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","272","279","10.1107/S2056989023002062","","","0.71073","MoKα","","0.0179","0.0171","","","0.0474","0.0477","","","","","","1.041","","","","has coordinates,has Fobs","283587","2023-05-06","10:47:03",""
"2244226","22.873","0.006","12.307","0.003","16.633","0.004","90","","128.954","0.005","90","","3641.1","1.6","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[(2-amino-4-methylpyridine)-μ~3~-phosphonato-zinc]","","- C6 H9 N2 O3 P Zn -","- C6 H9 N2 O3 P Zn -","- C96 H144 N32 O48 P16 Zn16 -","16","2","PK2681","Wark, Stephen; Lyons, Megan J.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Consistent zincophosphite 4-ring 'ladder' chain structural motif with isomeric ligands.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","272","279","10.1107/S2056989023002062","","","0.71073","MoKα","","0.0176","0.0171","","","0.049","0.0492","","","","","","1.048","","","","has coordinates,has Fobs","283587","2023-05-06","10:47:04",""
"2244227","5.1487","0.0009","8.5316","0.0019","20.371","0.005","90","","90","","90","","894.8","0.3","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[(2-amino-5-methylpyridine)-μ~3~-phosphonato-zinc]","","- C6 H9 N2 O3 P Zn -","- C6 H9 N2 O3 P Zn -","- C24 H36 N8 O12 P4 Zn4 -","4","1","PK2681","Wark, Stephen; Lyons, Megan J.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Consistent zincophosphite 4-ring 'ladder' chain structural motif with isomeric ligands.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","272","279","10.1107/S2056989023002062","","","0.71073","MoKα","","0.0216","0.021","","","0.051","0.0511","","","","","","1.007","","","","has coordinates,has Fobs","283587","2023-05-06","10:47:04",""
"2244228","9.03805","0.00013","9.36837","0.00013","15.0207","0.0002","81.0313","0.0001","88.0646","0.0001","80.0782","0.0001","1237.46","0.03","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","Poly[bis(2-amino-4-methylpyridinium) [tetra-μ~3~-phosphonato-trizinc] monohydrate]","","- C12 H24 N4 O13 P4 Zn3 -","- C12 H24 N4 O13 P4 Zn3 -","- C24 H48 N8 O26 P8 Zn6 -","2","1","PK2681","Wark, Stephen; Lyons, Megan J.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Consistent zincophosphite 4-ring 'ladder' chain structural motif with isomeric ligands.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","272","279","10.1107/S2056989023002062","","","1.54184","CuKα","","0.0311","0.0308","","","0.0846","0.0847","","","","","","1.104","","","","has coordinates","283587","2023-05-06","10:47:04",""
"2244229","6.9541","0.0008","8.7092","0.0009","16.293","0.003","83.239","0.011","80.167","0.01","72.049","0.009","922.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Cl4 N4 O Zn -","- C12 H20 Cl4 N4 O Zn -","- C24 H40 Cl8 N8 O2 Zn2 -","2","1","PK2681","Wark, Stephen; Lyons, Megan J.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Consistent zincophosphite 4-ring 'ladder' chain structural motif with isomeric ligands.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","272","279","10.1107/S2056989023002062","","","0.71073","MoKα","","0.049","0.0469","","","0.11","0.111","","","","","","1.08","","","","has coordinates,has Fobs","283587","2023-05-06","10:47:04",""
"2244230","8.8187","0.0004","9.6963","0.0004","12.3804","0.0006","100.099","0.002","97.556","0.002","109.858","0.002","959.16","0.08","297","2","297","2","","","","","","","","5","P -1","-P 1","2","Nadifloxacin–oxalic acid (2/1)","9-Fluoro-8-(4-hydroxypiperidin-1-yl)-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid–oxalic acid (2/1)","","- C20 H22 F N2 O6 -","- C20 H22 F N2 O6 -","- C40 H44 F2 N4 O12 -","2","1","MW2196","Karthammaiah, Geethanjali N.; Rao Amaraneni, Sreenivasa; Solomon, Anand K.","Co-crystal of nadifloxacin with oxalic acid.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","319","322","10.1107/S2056989023002244","","","0.71073","MoKα","","0.0775","0.0623","","","0.1845","0.2036","","","","","","1.069","","","","has coordinates,has Fobs","283591","2023-05-06","10:47:53",""
"2244231","11.9096","0.0001","5.5836","0.0001","16.8121","0.0002","90","","105.356","0.001","90","","1078.07","0.03","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","3-(3-Hydroxyphenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one hemihydrate","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C52 H48 N4 O10 -","2","0.5","YZ2023","Ismail, Ahmad Zaidi; Gunasekharan, Mohanapriya; Karunakaran, Thiruventhan; Mohd Faudzi, Siti Munirah","Crystal structure and Hirshfeld surface analysis of 3-(3-hy-droxy-phen-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one hemihydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","287","291","10.1107/S2056989023001925","","","1.54184","CuKα","","0.0364","0.0344","","","0.0926","0.0947","","","","","","1.04","","","","has coordinates,has Fobs","283592","2023-05-06","10:48:00",""
"2244232","6.9503","0.0014","10.585","0.002","24.975","0.005","90","","90","","90","","1837.4","0.6","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(7R,9R)-N-[(4-Ethylphenyl)sulfonyl]cytisine","(1R,5R)-3-[(4-Ethylphenyl)sulfonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Okmanov, Rasul Ya; Olimova, Manzura I.; Karabaeva, Surayyo B.; Sapaev, Frunza A.; Abdireymov, Kudaybergen B.","Syntheses, crystal structures and Hirshfeld surface analyses of N-aryl-sulfonyl derivatives of cytisine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","313","318","10.1107/S2056989023001950","","","1.54184","CuKα","","0.0393","0.0376","","","0.0924","0.0937","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","283593","2023-05-06","10:48:18",""
"2244233","7.1374","0.0014","11.448","0.002","20.844","0.004","90","","90","","90","","1703.1","0.6","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(7R,9R)-N-[(4-chlorophenyl)sulfonyl]cytisine","(1R,5R)-3-[(4-chlorophenyl)sulfonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one","","- C17 H17 Cl N2 O3 S -","- C17 H17 Cl N2 O3 S -","- C68 H68 Cl4 N8 O12 S4 -","4","1","","Okmanov, Rasul Ya; Olimova, Manzura I.; Karabaeva, Surayyo B.; Sapaev, Frunza A.; Abdireymov, Kudaybergen B.","Syntheses, crystal structures and Hirshfeld surface analyses of N-aryl-sulfonyl derivatives of cytisine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","313","318","10.1107/S2056989023001950","","","1.54184","CuKα","","0.0303","0.0296","","","0.0777","0.0784","","","","","","1.05","","","","has coordinates,has Fobs","283593","2023-05-06","10:48:19",""
"2244234","11.04","0.002","6.2621","0.0013","12.424","0.003","90","","94.03","0.03","90","","856.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","(7R,9R)-N-[(3-nitrophenyl)sulfonyl]cytisine","(1R,5R)-3-((3-nitrophenyl)sulfonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one","","- C17 H17 N3 O5 S -","- C17 H17 N3 O5 S -","- C34 H34 N6 O10 S2 -","2","1","","Okmanov, Rasul Ya; Olimova, Manzura I.; Karabaeva, Surayyo B.; Sapaev, Frunza A.; Abdireymov, Kudaybergen B.","Syntheses, crystal structures and Hirshfeld surface analyses of N-aryl-sulfonyl derivatives of cytisine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","313","318","10.1107/S2056989023001950","","","1.54184","CuKα","","0.0404","0.0394","","","0.112","0.1136","","","","","","1.043","","","","has coordinates,has Fobs","283593","2023-05-06","10:48:19",""
"2244235","9.8201","0.0009","9.0067","0.0007","26.995","0.002","90","","90","","90","","2387.6","0.3","300","2","300.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Benzyloxyindole","4-Phenoxy-1H-indole","","- C15 H13 N O -","- C15 H13 N O -","- C120 H104 N8 O8 -","8","1","HB8057","Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Synthesis and structure of 4-hy-droxy-N-iso-propyl-tryptamine (4-HO-NiPT) and its precursors.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","280","286","10.1107/S2056989023002098","","","0.71073","MoKα","","0.0543","0.0453","","","0.1041","0.1102","","","","","","1.11","","","","has coordinates,has Fobs","283594","2023-05-06","10:48:36",""
"2244236","16.423","0.0013","6.5609","0.0004","33.469","0.002","90","","90","","90","","3606.3","0.4","300","2","300.15","","","","","","","","","4","P n a 21","P 2c -2n","33","N-Isopropyl-4-benzyloxy-3-indoleglyoxylamide","2-[4-(Benzyloxy)-1H-indol-3-yl]-2-oxo-N-(propan-2-yl)acetamide","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","2","HB8057","Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Synthesis and structure of 4-hy-droxy-N-iso-propyl-tryptamine (4-HO-NiPT) and its precursors.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","280","286","10.1107/S2056989023002098","","","0.71073","MoKα","","0.0612","0.0461","","","0.1074","0.1172","","","","","","1.039","","","","has coordinates,has Fobs","283594","2023-05-06","10:48:36",""
"2244237","10.1895","0.0009","10.9117","0.0007","17.6887","0.0014","86.798","0.003","79.34","0.003","87.587","0.003","1928.7","0.3","300","2","300.15","","","","","","","","","5","P -1","-P 1","2","4-Benzyloxy-N-isopropyltryptammonium chloride","{2-[4-(Benzyloxy)-1H-indol-3-yl]ethyl}(propan-2-yl)azanium chloride","","- C20 H25 Cl N2 O -","- C20 H25 Cl N2 O -","- C80 H100 Cl4 N8 O4 -","4","2","HB8057","Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Synthesis and structure of 4-hy-droxy-N-iso-propyl-tryptamine (4-HO-NiPT) and its precursors.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","280","286","10.1107/S2056989023002098","","","0.71073","MoKα","","0.0584","0.0406","","","0.1","0.1133","","","","","","1.015","","","","has coordinates,has Fobs","283594","2023-05-06","10:48:36",""
"2244238","8.4065","0.0005","14.3944","0.0009","19.8501","0.001","90","","90","","90","","2402","0.2","300","2","300.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Hydroxy-N-isopropyltryptamine","3-[2-(Propan-2-ylamino)ethyl]-1H-indol-4-ol","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C104 H144 N16 O8 -","8","1","HB8057","Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Synthesis and structure of 4-hy-droxy-N-iso-propyl-tryptamine (4-HO-NiPT) and its precursors.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","280","286","10.1107/S2056989023002098","","","0.71073","MoKα","","0.0537","0.0453","","","0.1097","0.1156","","","","","","1.075","","","","has coordinates,has Fobs","283594","2023-05-06","10:48:36",""
"2244239","8.7763","0.0002","9.4409","0.0003","21.2951","0.0006","96.762","0.001","92.198","0.001","90.552","0.001","1750.69","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","3-Bromo-2,2-bis(bromomethyl)propan-1-ol","","- C20 H36 Br12 O4 -","- C20 H36 Br12 O4 -","- C40 H72 Br24 O8 -","2","1","VM2278","Wappelhorst, Jan Frederick; Wattenberg, Jonathan; Strohmann, Carsten","Crystal structure of trimeth-yl({tris-[(phenyl-sulfan-yl)meth-yl]sil-yl}meth-oxy)silane and Hirshfeld surface analysis of 3-bromo-2,2-bis-(bromo-meth-yl)propan-1-ol.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","323","327","10.1107/S205698902300227X","","x-ray","0.71073","MoKα","","0.0339","0.0266","","","0.0655","0.0685","","","","","","1.022","","","","has coordinates,has Fobs","283588","2023-05-06","10:47:17",""
"2244240","27.0415","0.0012","6.9329","0.0003","27.7963","0.0014","90","","96.939","0.002","90","","5173","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trimethyl({tris[(phenylsulfanyl)methyl]silyl}methoxy)silane","","- C26 H32 O S3 Si -","- C26 H32 O S3 Si -","- C208 H256 O8 S24 Si8 -","8","1","VM2278","Wappelhorst, Jan Frederick; Wattenberg, Jonathan; Strohmann, Carsten","Crystal structure of trimeth-yl({tris-[(phenyl-sulfan-yl)meth-yl]sil-yl}meth-oxy)silane and Hirshfeld surface analysis of 3-bromo-2,2-bis-(bromo-meth-yl)propan-1-ol.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","323","327","10.1107/S205698902300227X","","x-ray","0.71073","MoKα","","0.0424","0.0319","","","0.0711","0.0773","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","283588","2023-05-06","10:47:17",""
"2244241","6.9611","0.0003","11.9737","0.0005","12.0697","0.0004","65.618","0.004","78.588","0.003","74.826","0.004","879.72","0.07","100","0.14","100","0.14","","","","","","","","5","P -1","-P 1","2","","tert-Butyl 3,6-diiodocarbazole-9-carboxylate","","- C17 H15 I2 N O2 -","- C17 H15 I2 N O2 -","- C34 H30 I4 N2 O4 -","2","1","WM5676","Sielaff, Elizabeth N.; Staples, Richard J.; Biros, Shannon M.","Crystal structure of tert-butyl 3,6-di-iodo-carbazole-9-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","345","348","10.1107/S205698902300230X","","x-ray","1.54184","CuKα","","0.0391","0.0329","","","0.0869","0.0899","","","","","","1.08","","","","has coordinates,has Fobs","283595","2023-05-06","10:48:49",""
"2244242","10.85636","0.00013","9.1857","0.0001","13.31001","0.00016","90","","98.7757","0.0012","90","","1311.78","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methoxy-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C60 H56 N8 O4 S4 -","4","1","YZ2030","Hebishy, Ali M. S.; Elgemeie, Galal H.; Gouda, Lobna M.; Jones, Peter G.","Crystal structures of three homologues with increasing ring size: 2-meth-oxy-4-(thio-phen-2-yl)-5,6,7,8-tetra-hydro-quinoline-3-carbo-nitrile, 2-meth-oxy-4-(thio-phen-2-yl)-6,7,8,9-tetra-hydro-5H-cyclo-hepta-[b]pyridine-3-carbo-nitrile and 2-meth-oxy-4-(thio-phen-2-yl)-5,6,7,8,9,10-hexa-hydrocyclo-octa[b]pyridine-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","335","340","10.1107/S2056989023001883","","x-ray","1.54184","CuKα","","0.0272","0.0263","","","0.0708","0.0714","","","","","","1.068","","","","has coordinates,has Fobs","283597","2023-05-06","10:49:19",""
"2244243","8.68561","0.00017","13.7435","0.0002","12.0379","0.0002","90","","99.9254","0.0018","90","","1415.47","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methoxy-4-(thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile","","- C16 H16 N2 O S -","- C16 H16 N2 O S -","- C64 H64 N8 O4 S4 -","4","1","YZ2030","Hebishy, Ali M. S.; Elgemeie, Galal H.; Gouda, Lobna M.; Jones, Peter G.","Crystal structures of three homologues with increasing ring size: 2-meth-oxy-4-(thio-phen-2-yl)-5,6,7,8-tetra-hydro-quinoline-3-carbo-nitrile, 2-meth-oxy-4-(thio-phen-2-yl)-6,7,8,9-tetra-hydro-5H-cyclo-hepta-[b]pyridine-3-carbo-nitrile and 2-meth-oxy-4-(thio-phen-2-yl)-5,6,7,8,9,10-hexa-hydrocyclo-octa[b]pyridine-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","335","340","10.1107/S2056989023001883","","x-ray","1.54184","CuKα","","0.0294","0.0285","","","0.0758","0.0765","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","283597","2023-05-06","10:49:20",""
"2244244","9.87736","0.00014","12.51312","0.00019","12.53915","0.00019","90","","102.986","0.0014","90","","1510.16","0.04","100","2","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Methoxy-4-(thiophen-2-yl)-5,6,7,8,9,10-hexahydro-cycloocta[b]pyridine-3-carbonitrile","","- C17 H18 N2 O S -","- C17 H18 N2 O S -","- C68 H72 N8 O4 S4 -","4","1","YZ2030","Hebishy, Ali M. S.; Elgemeie, Galal H.; Gouda, Lobna M.; Jones, Peter G.","Crystal structures of three homologues with increasing ring size: 2-meth-oxy-4-(thio-phen-2-yl)-5,6,7,8-tetra-hydro-quinoline-3-carbo-nitrile, 2-meth-oxy-4-(thio-phen-2-yl)-6,7,8,9-tetra-hydro-5H-cyclo-hepta-[b]pyridine-3-carbo-nitrile and 2-meth-oxy-4-(thio-phen-2-yl)-5,6,7,8,9,10-hexa-hydrocyclo-octa[b]pyridine-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","335","340","10.1107/S2056989023001883","","x-ray","1.54184","CuKα","","0.0345","0.0337","","","0.0902","0.091","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","283597","2023-05-06","10:49:20",""
"2244245","10.0699","0.0006","14.7429","0.0006","10.5212","0.0007","90","","113.9","0.007","90","","1428.04","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(5-Acetyl-4-methylpyrimidin-2-yl)benzenesulfonamide","","- C13 H13 N3 O3 S -","- C13 H13 N3 O3 S -","- C52 H52 N12 O12 S4 -","4","1","YZ2029","Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Azzam, Rasha A.","Synthesis and crystal structure of N-(5-acetyl-4-methyl-pyrimidin-2-yl)benzene-sulfonamide.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","331","334","10.1107/S2056989023001871","","","0.71073","MoKα","","0.0689","0.0459","","","0.1093","0.1251","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","283599","2023-05-06","10:49:47",""
"2311278","9.965","0.002","10.982","0.002","16.926","0.003","90","","90","","90","","1852.3","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,7,8,9-Tetrachloro-4-(2-fluorobenzyl)-10,10-dimethoxy-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","","- C17 H12 Cl4 F N O4 -","- C17 H12 Cl4 F N O4 -","- C68 H48 Cl16 F4 N4 O16 -","4","1","HB7331","Zhong, Jia-Liang; Hou, Jia-Wei; Liu, Li-Hong; Liu, He","Crystal structure of 1,7,8,9-tetra-chloro-4-(2-fluoro-benz-yl)-10,10-dimeth-oxy-4-aza-tri-cyclo-[5.2.1.0(2,6)]dec-8-ene-3,5-dione.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 1","o32","","10.1107/S2056989014026279","","","0.71073","MoKα","","0.0679","0.0456","","","0.0928","0.1008","","","","","","1","","","","has coordinates","245751","2020-10-21","18:00:00",""
"2311279","8.25131","0.0001","11.85605","0.00014","12.9415","0.00015","90","","90","","90","","1266.04","0.03","99.8","0.4","99.8","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","fac-(Acetonitrile-κN)trichlorido[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(III)","","- C10 H15 Cl3 Ir N -","- C10 H15 Cl3 Ir N -","- C40 H60 Cl12 Ir4 N4 -","4","1","PK2547","Morris, David M.; Merola, Joseph S.","Serendipitous preparation of fac-(aceto-nitrile-κN)tri-chlorido-[(1,2,5,6-η)-cyclo-octa-1,5-diene]iridium(III).","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 4","371","373","10.1107/S2056989015004855","","","0.71073","MoKα","","0.0206","0.0188","","","0.0368","0.0375","","","","","","1.081","","","","has coordinates","245752","2020-10-21","18:00:00",""
"2311280","6.8656","0.0005","12.6428","0.0008","7.0931","0.0005","90","","110.579","0.008","90","","576.4","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","i>cis-Diamminebis(nitrito-κN)platinum(II)","","- H6 N4 O4 Pt -","- H6 N4 O4 Pt -","- H24 N16 O16 Pt4 -","4","1","WM5133","Kahlenberg, Volker; Gelbrich, Thomas; Tessadri, Richard; Klauser, Frederik","Crystal structure of cis-diamminebis(nitrito-κN)platinum(II).","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 4","366","370","10.1107/S2056989015004879","","","0.71073","MoKα","","0.0207","0.0182","","","0.0427","0.0442","","","","","","1.045","","","","has coordinates","245753","2020-10-21","18:00:00",""
"2311281","19.347","0.005","5.9339","0.0012","13.165","0.002","90","","122.266","0.008","90","","1278","0.5","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1E,1'E)-N,N'-(Ethane-1,2-diyl)bis[(pyridin-2-yl)methanimine]","","- C14 H14 N4 -","- C14 H14 N4 -","- C56 H56 N16 -","4","0.5","SU5142","Abdoh, Muneer; Warad, Ismail; Naveen, S.; Lokanath, N. K.; Salghi, Rachid","Crystal structure of (1E,1'E)-N,N'-(ethane-1,2-di-yl)bis-[(pyridin-2-yl)methanimine].","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 6","o431","","10.1107/S2056989015010087","","","1.54178","CuKα","","0.0438","0.0425","","","0.1188","0.1203","","","","","","1.054","","","","has coordinates","245754","2020-10-21","18:00:00",""
"2311282","8.1035","0.0004","12.0193","0.0005","15.1312","0.0007","90","","94.347","0.002","90","","1469.52","0.12","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(Thiophen-2-yl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-1-carbothioamide","5-(4-Methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide","","- C15 H15 N3 S2 -","- C15 H15 N3 S2 -","- C60 H60 N12 S8 -","4","1","SU5147","Naveen, S.; Pavithra, G.; Abdoh, Muneer; Ajay Kumar, K.; Warad, Ismail; Lokanath, N. K.","Crystal structure of 3-(thio-phen-2-yl)-5-p-tolyl-4,5-di-hydro-1H-pyrazole-1-carbo-thio-amide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","763","765","10.1107/S2056989015010774","","","1.54178","CuKα","","0.0481","0.0463","","","0.1247","0.1268","","","","","","1.07","","","","has coordinates","245755","2020-10-21","18:00:00",""
"2311283","7.754","0.002","11.346","0.003","21.187","0.006","90","","90","","90","","1864","0.9","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Acetoxy-2-methylbenzoic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","1","LH5765","Saranya, Matheswaran; Subashini, Annamalai; Arunagiri, Chidambaram; Muthiah, Packianathan Thomas","Crystal structure of 3-acet-oxy-2-methyl-benzoic acid.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o474","","10.1107/S2056989015010865","","","0.71073","MoKα","","0.1347","0.0626","","","0.1465","0.1843","","","","","","1.025","","","","has coordinates","245756","2020-10-21","18:00:00",""
"2311284","7.8835","0.001","14.4041","0.0019","15.231","0.002","90","","94.94","0.004","90","","1723.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-acetyl-3,7-dimethyl-5-(thiophen-2-yl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate","","- C17 H18 N2 O3 S2 -","- C17 H18 N2 O3 S2 -","- C68 H72 N8 O12 S8 -","4","1","HB7433","Prasad, N. L.; Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thio-phen-2-yl)-5H-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o477","8","10.1107/S2056989015010981","","","0.71073","MoKα","","0.1076","0.0647","","","0.1708","0.1892","","","","","","0.998","","","","has coordinates","245757","2020-10-21","18:00:00",""
"2311285","20.6017","0.0014","6.1461","0.0004","25.9689","0.0016","90","","94.332","0.004","90","","3278.8","0.4","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","3-Amino-1-(4-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","HG5445","Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 3-amino-1-(4-meth-oxy-phen-yl)-1H-benzo[f]chromene-2-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o468","9","10.1107/S2056989015011020","","","1.54178","CuKα","","0.0416","0.0409","","","0.1152","0.1161","","","","","","1.033","","","","has coordinates","245758","2020-10-21","18:00:00",""
"2311286","10.056","0.007","6.172","0.003","12.751","0.006","90","","99.641","0.017","90","","780.2","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-Amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile","","- C20 H13 Cl N2 O -","- C20 H13 Cl N2 O -","- C40 H26 Cl2 N4 O2 -","2","1","SJ5465","Akkurt, Mehmet; Horton, Peter N.; Mohamed, Shaaban K.; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 3-amino-1-(4-chloro-phen-yl)-1H-benzo[f]chromene-2-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o481","2","10.1107/S2056989015011159","","","1.54178","CuKα","","0.028","0.0276","","","0.0748","0.075","","","","","","1.06","","","","has coordinates","245759","2020-10-21","18:00:00",""
"2311287","9.1662","0.0001","5.7246","0.0001","13.9177","0.0002","90","","90.153","0.001","90","","730.298","0.018","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Amino-4-phenyl-4H-benzo[h]chromene-3-carbonitrile","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","TK5369","Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 2-amino-4-phenyl-4H-benzo[h]chromene-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o516","7","10.1107/S2056989015011536","","","1.54178","CuKα","","0.0329","0.0314","","","0.0926","0.0928","","","","","","1.092","","","","has coordinates","245760","2020-10-21","18:00:00",""
"2311288","8.3444","0.0003","9.3508","0.0004","12.2723","0.0005","104.079","0.002","97.282","0.002","93.904","0.002","916.43","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(2,4,5-trimethoxyphenyl)quinoline-4-carboxylate","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C42 H42 N2 O10 -","2","1","HB7449","Shrungesh Kumar, T. O.; Naveen, S.; Kumara, M. N.; Mahadevan, K. M.; Lokanath, N. K.","Crystal structure of ethyl 2-(2,4,5-tri-meth-oxy-phen-yl)quinoline-4-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o514","5","10.1107/S2056989015011706","","","1.54178","CuKα","","0.0446","0.0387","","","0.1107","0.1171","","","","","","1.04","","","","has coordinates,has disorder","245761","2020-10-21","18:00:00",""
"2311289","19.3941","0.0005","12.711","0.0003","10.145","0.0003","90","","103.306","0.002","90","","2433.79","0.11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[(E)-({2-[3-(2-{(1E)-[(Carbamothioylamino)imino]methyl}phenoxy)propoxy]phenyl}methylidene)amino]thiourea","","- C19 H22 N6 O2 S2 -","- C19 H22 N6 O2 S2 -","- C76 H88 N24 O8 S8 -","4","0.5","HB7453","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo-thioyl-amino)-imino]-meth-yl}phen-oxy)prop-oxy]phen-yl}methyl-idene)amino]-thio-urea with an unknown solvate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o530","1","10.1107/S2056989015012074","","","1.54178","CuKα","","0.051","0.0397","","","0.1041","0.1116","","","","","","1.058","","","","has coordinates","245762","2020-10-21","18:00:00",""
"2311290","7.616","0.0004","8.3267","0.0005","13.9011","0.0007","84.999","0.002","77.631","0.001","74.347","0.002","828.75","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","vortioxetine","1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine","","- C18 H22 N2 S -","- C18 H22 N2 S -","- C36 H44 N4 S2 -","2","1","HB7395","Zhou, Xin-Bo; Gu, Jian-Ming; Sun, Meng-Ying; Hu, Xiu-Rong; Wu, Su-Xiang","Crystal structures of vortioxetine and its methanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","883","885","10.1107/S2056989015012256","","","0.71073","MoKα","","0.1086","0.0563","","","0.1269","0.1852","","","","","","1.002","","","","has coordinates","245763","2020-10-21","18:00:00",""
"2311291","13.21","0.0007","18.15","0.0009","8.1746","0.0004","90","","104.378","0.002","90","","1898.57","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine methanol monosolvate","","- C19 H26 N2 O S -","- C19 H26 N2 O S -","- C76 H104 N8 O4 S4 -","4","1","HB7395","Zhou, Xin-Bo; Gu, Jian-Ming; Sun, Meng-Ying; Hu, Xiu-Rong; Wu, Su-Xiang","Crystal structures of vortioxetine and its methanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","883","885","10.1107/S2056989015012256","","","0.71073","MoKα","","0.1056","0.0524","","","0.1186","0.1559","","","","","","1","","","","has coordinates","245763","2020-10-21","18:00:00",""
"2311292","12.4859","0.0017","14.3697","0.0019","7.732","0.001","90","","90","","90","","1387.3","0.3","120","2","120.15","","","","","","","","","4","A e a 2","A 2 -2ab","41","2,6-Dimethyl-4-pyridone hemihydrate","2,6-Dimethyl-1H-pyridin-4-one hemihydrate","","- C7 H10 N O1.5 -","- C7 H10 N O1.5 -","- C56 H80 N8 O12 -","8","1","FF2139","Nguyen, Dalena M.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","Crystal structure of 2,6-dimethyl-4-pyridone hemihydrate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","o533","","10.1107/S2056989015012402","","","1.54178","CuKα","","0.0306","0.0304","","","0.078","0.0782","","","","","","1.092","","","","has coordinates","245764","2020-10-21","18:00:00",""
"2311293","18.3084","0.0013","6.0743","0.0004","24.5339","0.0017","90","","106.471","0.002","90","","2616.5","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-7-hydroxy-4-(4-hydroxyphenyl)-4H-chromene-3-carbonitrile","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C128 H96 N16 O24 -","8","1","XU5857","Horton, Peter N.; Akkurt, Mehmet; Mohamed, Shaaban K.; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 2-amino-7-hy-droxy-4-(4-hy-droxy-phen-yl)-4H-chromene-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","o546","7","10.1107/S2056989015012815","","","0.71075","MoKα","","0.0416","0.0341","","","0.0873","0.0905","","","","","","1.061","","","","has coordinates","245765","2020-10-21","18:00:00",""
"2311294","12.577","0.0002","5.7977","0.0001","14.839","0.0003","90","","94.679","0.002","90","","1078.42","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-(bromoacetyl)-6-chloro-2H-chromen-2-one","3-Bromoacetyl-6-chloro-2H-1-benzopyran-2-one","","- C11 H6 Br Cl O3 -","- C11 H6 Br Cl O3 -","- C44 H24 Br4 Cl4 O12 -","4","1","LH5773","Chennuru, Ramanaiah; Maddimsetti, Balaji; Gundlapalli, Suman; Babu, R. Ravi Chandra; Mahapatra, Sudarshan","Crystal structure of 3-bromo-acetyl-6-chloro-2H-1-benzo-pyran-2-one.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","o615","6","10.1107/S2056989015012955","","","0.71073","MoKα","","0.0451","0.0303","","","0.0734","0.0762","","","","","","0.954","","","","has coordinates","245766","2020-10-21","18:00:00",""
"2311295","13.0977","0.0009","7.4932","0.0004","14.1123","0.0009","90","","90.149","0.005","90","","1385.03","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Chlorophenyl)-6-(morpholin-4-yl)pyridazin-3(2H)-one","","- C14 H14 Cl N3 O2 -","- C14 H14 Cl N3 O2 -","- C56 H56 Cl4 N12 O8 -","4","1","RZ5163","Aydın, Abdullah; Akkurt, Mehmet; Şüküroğlu, Murat; Büyükgüngör, Orhan","Crystal structure of 4-(4-chloro-phen-yl)-6-(morpholin-4-yl)pyridazin-3(2H)-one.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","944","946","10.1107/S2056989015012980","","","0.71073","MoKα","","0.0514","0.0389","","","0.0993","0.1056","","","","","","1.043","","","","has coordinates","245767","2020-10-21","18:00:00",""
"2311296","16.8552","0.0004","22.7112","0.0007","15.5503","0.0004","90","","90","","90","","5952.7","0.3","173","2","173","2","","","","","","","","5","C m c e","-C 2ac 2","64","","Undecapotassium bis[α-hemipentahydrogen hexamolybdoplatinate(IV)] dodecahydrate","","- H14.5 K5.5 Mo6 O30 Pt -","- H14.5 K5.5 Mo6 O30 Pt -","- H116 K44 Mo48 O240 Pt8 -","8","0.5","","Joo, Hea-Chung; Park, Ki-Min; Lee, Uk","Crystal structure of undeca-potassium bis-[α-hemi-penta-hydrogen hexa-molybdoplatinate(IV)] dodeca-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 8","986","988","10.1107/S2056989015014188","","","0.71073","MoKα","","0.0391","0.0306","","","0.0722","0.0761","","","","","","1.058","","","","has coordinates","245768","2020-10-21","18:00:00",""
"2311297","9.7665","0.0005","7.795","0.0004","27.0602","0.0016","90","","95.186","0.005","90","","2051.66","0.19","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10-[(3-oxo-3H-Benzo[f]chromen-1-yl)methyl]-2-trifluoromethyl-9a,10-dihydrobenz[4,5]imidazo[1,2-a]pyrimidin-4(5aH)-one","","- C25 H14 F3 N3 O3 -","- C25 H14 F3 N3 O3 -","- C100 H56 F12 N12 O12 -","4","1","HB7467","Chandra, ?; Kumar, Shamantha; Puttaraju, K. B.; Shivashankar, K.; Mahendra, M.","Crystal structure of 10-[(3-oxo-3H-benzo[f]chromen-1-yl)meth-yl]-2-tri-fluoro-methyl-9a,10-di-hydro-benz[4,5]imidazo[1,2-a]pyrimidin-4(5aH)-one.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 9","o672","3","10.1107/S2056989015014425","","","0.71073","MoKα","","0.1119","0.057","","","0.1289","0.1764","","","","","","1.003","","","","has coordinates","245769","2020-10-21","18:00:00",""
"2311298","8.6844","0.0004","10.8112","0.0005","11.9235","0.0006","90","","95.2046","0.0009","90","","1114.87","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Aminopyridinium 6-chloronicotinate","2-Aminopyridinium 6-chloropyridine-3-carboxylate","","- C11 H10 Cl N3 O2 -","- C11 H10 Cl N3 O2 -","- C44 H40 Cl4 N12 O8 -","4","1","LH5778","Jasmine, N. Jeeva; Rajam, A.; Muthiah, P. Thomas; Stanley, N.; Razak, I. Abdul; Rosli, M. Mustaqim","Crystal structure of 2-amino-pyridinium 6-chloro-nicotinate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 9","o655","6","10.1107/S2056989015014796","","","0.71073","MoKα","","0.0328","0.0305","","","0.0898","0.0921","","","","","","1.069","","","","has coordinates","245770","2020-10-21","18:00:00",""
"2311299","14.6117","0.0003","9.3345","0.0002","27.3451","0.0007","90","","102.734","0.001","90","","3637.94","0.14","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","cis,fac-{N,N-Bis[(pyridin-2-yl)methyl]methylamine-κ^3^N,N',N''}dichlorido(dimethyl sulfoxide-κS)ruthenium(II)","","","- C15 H21 Cl2 N3 O Ru S -","- C15 H21 Cl2 N3 O Ru S -","- C120 H168 Cl16 N24 O8 Ru8 S8 -","8","1","","Trotter, Kasey; Arulsamy, Navamoney; Hulley, Elliott","Crystal structure of cis,fac-{N,N-bis-[(pyridin-2-yl)meth-yl]methyl-amine-κ(3) N,N',N''}di-chlorido-(dimethyl sulfoxide-κS)ruthenium(II).","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 9","m169","70","10.1107/S2056989015014875","","","0.71073","MoKα","","0.066","0.0389","","","0.0748","0.0847","","","","","","1.008","","","","has coordinates","245771","2020-10-21","18:00:00",""
"2311300","8.9298","0.0006","11.587","0.0008","15.7459","0.0011","100.94","0.002","104.804","0.002","98.153","0.002","1515.12","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C14 H15 F N2 O2 S -","- C14 H15 F N2 O2 S -","- C56 H60 F4 N8 O8 S4 -","4","2","LH5781","Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of ethyl 4-(2-fluoro-phen-yl)-6-methyl-2-sulfanyl-idene-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o699","700","10.1107/S2056989015015145","","","0.71073","MoKα","","0.12","0.0746","","","0.2087","0.2281","","","","","","0.982","","","","has coordinates","245773","2020-10-21","18:00:00",""
"2311301","10.2314","0.0016","11.0693","0.0018","11.3254","0.0019","91.736","0.008","98.695","0.008","105.345","0.008","1219.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1'-Ethylspiro[chroman-4,4'-imidazolidine]-2',5'-dione","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","2","SU5194","Benaka Prasad, S. B.; Naveen, S.; Madaiah, M.; Lokanath, N. K.; Warad, Ismail; Abdoh, Muneer","Crystal structure of 1'-ethyl-spiro[chroman-4,4'-imidazolidine]-2',5'-dione: a hydantoine derivative.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o705","6","10.1107/S2056989015016175","","","1.54178","CuKα","","0.0999","0.0643","","","0.1704","0.1853","","","","","","1.044","","","","has coordinates","245774","2020-10-21","18:00:00",""
"2311302","12.218","0.003","7.332","0.002","30.923","0.008","90","","90","","90","","2770.2","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 5-acetyl-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C104 H144 N16 O24 S8 -","8","1","HB7483","Prasad, N. L.; Krishnamurthy, M. S.; Nagarajaiah, H.; Begum, Noor Shahina","Crystal structure of ethyl 5-acetyl-2-{[(di-methyl-amino)-methyl-idene]amino}-4-methyl-thio-phene-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o762","3","10.1107/S2056989015016217","","","0.71073","MoKα","","0.0917","0.0583","","","0.1381","0.1732","","","","","","1.185","","","","has coordinates","245775","2020-10-21","18:00:00",""
"2311303","9.9","0.0006","11.8563","0.0007","19.0377","0.0011","80.827","0.002","83.999","0.002","86.071","0.002","2190.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2-Acetyl-5-(3,4-dimethoxyphenyl)-6-ethoxycarbonyl-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidin-8-ium chloride","","- C21 H25 Cl N2 O5 S -","- C21 H25 Cl N2 O5 S -","- C84 H100 Cl4 N8 O20 S4 -","4","2","HB7484","Prasad, N. L.; Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of 2-acetyl-5-(3,4-di-meth-oxy-phen-yl)-6-eth-oxy-carbonyl-3,7-dimethyl-5H-thia-zolo[3,2-a]pyrimidin-8-ium chloride.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o764","5","10.1107/S2056989015016229","","","0.71073","MoKα","","0.1211","0.0547","","","0.1127","0.1339","","","","","","0.966","","","","has coordinates,has disorder","245776","2020-10-21","18:00:00",""
"2311304","10.9635","0.0004","14.972","0.0005","13.0087","0.0004","90","","102.977","0.003","90","","2080.78","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[μ~2~-1,1'-Bis(diphenylphosphanyl)ferrocene-κ^2^P:P']bis[(pyrrolidine-1-carbodithioato-κS)gold(I)]","","- C44 H44 Au2 Fe N2 P2 S4 -","- C44 H44 Au2 Fe N2 P2 S4 -","- C88 H88 Au4 Fe2 N4 P4 S8 -","2","0.5","VN2097","Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of [μ2-1,1'-bis-(di-phenyl-phos-phanyl)ferrocene-κ(2) P:P']bis-[(pyrrolidine-1-carbo-dithioato-κS)gold(I)].","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","1143","1146","10.1107/S2056989015016382","","","0.71073","MoKα","","0.0257","0.0221","","","0.0489","0.0509","","","","","","1.063","","","","has coordinates","245777","2020-10-21","18:00:00",""
"2311305","8.7215","0.0003","8.7215","0.0003","20.9874","0.0009","90","","90","","120","","1382.52","0.09","296","","296","","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","Poly[(2,2'-bipyridine-κ^2^N,N')tetra-μ~2~-cyanido-κ^4^C:N;κ^4^N:C-manganese(II)disilver(I)]","","- C14 H8 Ag2 Mn N6 -","- C14 H8 Ag2 Mn N6 -","- C42 H24 Ag6 Mn3 N18 -","3","0.5","VN2098","Theppitak, Chatphorn; Chainok, Kittipong","Crystal structure of poly[(2,2'-bi-pyridine-κ(2) N,N')tetra-μ2-cyanido-κ(4) C:N;κ(4) N:C-manganese(II)disilver(I)].","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","m179","80","10.1107/S205698901501676X","","","0.71073","MoKα","","0.0153","0.015","","","0.0381","0.0383","","","","","","1.072","","","","has coordinates","245778","2020-10-21","18:00:00",""
"2311306","5.145","0.0002","15.1359","0.0007","19.5828","0.0009","90","","96.547","0.004","90","","1515.05","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methyl-1-phenyl-6-propylamino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile","","- C17 H17 N5 -","- C17 H17 N5 -","- C68 H68 N20 -","4","1","HB7504","Jasinski, Jerry P.; Akkurt, Mehmet; Mohamed, Shaaban K.; Abdu-Allah, Hajjaj H M; Albayati, Mustafa R.","Crystal structure of 3-methyl-1-phenyl-6-propyl-amino-1H-pyrazolo[3,4-b]pyridine-5-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o766","7","10.1107/S2056989015017004","","","0.71073","MoKα","","0.0761","0.0553","","","0.1288","0.1433","","","","","","1.03","","","","has coordinates","245779","2020-10-21","18:00:00",""
"2311307","16.271","0.005","5.3804","0.0013","16.7","0.004","90","","90","","90","","1462","0.7","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Benzylsulfanyl-6-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole","","- C14 H11 N5 O S2 -","- C14 H11 N5 O S2 -","- C56 H44 N20 O4 S8 -","4","1","TK5386","Vaarla, Krishnaiah; Rao, V. Rajeswar; Akkurt, Mehmet","Crystal structure of 3-benzyl-sulfanyl-6-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o809","10","10.1107/S2056989015017351","","","0.71073","MoKα","","0.0344","0.0312","","","0.0753","0.0771","","","","","","1.079","","","","has coordinates","245780","2020-10-21","18:00:00",""
"2311308","5.5215","0.0003","16.1299","0.0008","18.7112","0.0009","90","","93.98","0.005","90","","1662.42","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (2Z)-2-[(2Z)-2-(2-cyclopentylidenehydrazin-1-ylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]ethanoate","","- C17 H17 N3 O3 S -","- C17 H17 N3 O3 S -","- C68 H68 N12 O12 S4 -","4","1","TK5388","Akkurt, Mehmet; Smolenski, Victoria A.; Mohamed, Shaaban K.; Jasinski, Jerry P.; Hassan, Alaa A.; Albayati, Mustafa R.","Crystal structure of methyl (2Z)-2-[(2Z)-2-(2-cyclo-pentyl-idenehydrazin-1-yl-idene)-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene]ethano-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o776","7","10.1107/S2056989015017454","","","0.71073","MoKα","","0.077","0.0504","","","0.1179","0.1347","","","","","","1.021","","","","has coordinates,has disorder","245781","2020-10-21","18:00:00",""
"2311309","10.9366","0.0006","11.7386","0.0005","12.6262","0.0008","100.018","0.004","113.884","0.006","105.884","0.004","1348.75","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Tetraethyl 27,30-dioxo-7,12,20,25-tetra-tert-butyl-3,16-dioxa-9,22,28,31-tetrathiaheptacyclo[21.3.1.1^1,5^.1^4,8^.1^10,14^.1^14,18^.1^17,21^]dotriaconta-4,6,8(29),10,12,17,19,21(32),23,25-decaene-2,2,15,15-tetracarboxylate","","- C54 H64 O12 S4 -","- C54 H64 O12 S4 -","- C54 H64 O12 S4 -","1","0.5","IS5424","Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Omran, Omran A.; Albayati, Mustafa R.","Crystal structure of tetra-ethyl 27,30-dioxo-7,12,20,25-tetra-tert-but-yl-3,16-dioxa-9,22,28,31-tetra-thia-hepta-cyclo-[21.3.1.1(1,5).1(4,8).1(10,14).1(14,18).1(17,21)]dotriaconta-4,6,8(29),10,12,17,19,21(32),23,25-deca-ene-2,2,15,15-tetra-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o778","9","10.1107/S205698901501748X","","","0.71073","MoKα","","0.0942","0.0643","","","0.1501","0.1687","","","","","","1.07","","","","has coordinates","245782","2020-10-21","18:00:00",""
"2311310","6.716","0.004","6.809","0.004","29.425","0.017","90","","94.784","0.007","90","","1340.9","1.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Methyl-4-oxo-N-phenyl-4H-chromene-3-carboxamide","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Borges, Fernanda","A comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1270","1277","10.1107/S2056989015017958","","","0.71075","MoKα","","0.0738","0.056","","","0.1256","0.1325","","","","","","1.071","","","","has coordinates","245783","2020-10-21","18:00:00",""
"2311311","7.43","0.003","11.963","0.006","12.648","0.006","90","","90","","90","","1124.2","0.9","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(Pyrrolidine-1-carbonyl)-4H-chromen-4-one","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Borges, Fernanda","A comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1270","1277","10.1107/S2056989015017958","","","0.71075","MoKα","","0.0735","0.0686","","","0.1483","0.1521","","","","","","1.07","","","","has coordinates","245783","2020-10-21","18:00:00",""
"2311312","15.337","0.006","21.94","0.008","6.808","0.003","90","","90","","90","","2290.8","1.6","100","2","100","","","","","","","","","4","A e a 2","A 2 -2ab","41","","2-(Pyrrolidine-1-carbonyl)-4H-chromen-4-one","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C112 H104 N8 O24 -","8","1","","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Borges, Fernanda","A comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1270","1277","10.1107/S2056989015017958","","","0.71075","Mokα","","0.0555","0.0477","","","0.0978","0.102","","","","","","1.112","","","","has coordinates","245783","2020-10-21","18:00:00",""
"2311313","11.213","0.013","14.231","0.017","9.582","0.015","90","","116.76","0.03","90","","1365","3","293","","293","","","","","","","","","6","C 1 c 1","C -2yc","9","","2-Amino-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide","","- C15 H15 F N2 O S -","- C15 H15 F N2 O S -","- C60 H60 F4 N8 O4 S4 -","4","1","HB7493","Chandra Kumar, K.; Umesh, V.; Madhura, T. K.; Rajesh, B. M.; Chandra, ?","Crystal structure of 2-amino-N-(2-fluoro-phen-yl)-4,5,6,7-tetra-hydro-1-benzo-thio-phene-3-carboxamide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o807","8","10.1107/S2056989015018022","","","0.71073","MoKα","","0.0426","0.0379","","","0.0795","0.0806","","","","","","1.836","","","","has coordinates","245784","2020-10-21","18:00:00",""
"2311314","13.143","0.002","8.013","0.002","17.88","0.002","90","","96.129","0.014","90","","1872.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-phenyl-4-(prop-2-yn-1-yloxy)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7-carboxylate","","- C21 H19 N3 O3 S -","- C21 H19 N3 O3 S -","- C84 H76 N12 O12 S4 -","4","1","TK5390","Akkurt, Mehmet; Smolenski, Victoria A.; Mohamed, Shaaban K.; Jasinski, Jerry P.; Ahmed, Essam K.; Albayati, Mustafa R.","Crystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yl-oxy)-5,6,7,8-tetra-hydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o836","7","10.1107/S2056989015018447","","","0.71073","MoKα","","0.0642","0.0435","","","0.1021","0.1165","","","","","","1.037","","","","has coordinates","245785","2020-10-21","18:00:00",""
"2311315","19.4338","0.0006","14.2147","0.0003","20.8631","0.0006","90","","103.184","0.003","90","","5611.4","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","25-Benzoylmethoxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihydroxy-2,8,14,20-tetrathiacalix[4]arene‒tetraethylammonium chloride (1/1)","","- C56 H74 Cl N O5 S4 -","- C56 H74 Cl N O5 S4 -","- C224 H296 Cl4 N4 O20 S16 -","4","2","XU5871","Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Omran, Omran A.; Albayati, Mustafa R.","Crystal structure of the inclusion complex 25-benzo-ylmeth-oxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihy-droxy-2,8,14,20-tetra-thia-calix[4]arene-tetra-ethyl-ammonium chloride (1/1).","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o830","1","10.1107/S2056989015018617","","","0.71073","MoKα","","0.1189","0.0789","","","0.2023","0.241","","","","","","1.05","","","","has coordinates","245786","2020-10-21","18:00:00",""
"2311316","13.3298","0.0015","7.1509","0.0008","14.5703","0.0017","90","","109.854","0.004","90","","1306.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-(2-Fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","- C13 H13 F N2 O2 S -","- C13 H13 F N2 O2 S -","- C52 H52 F4 N8 O8 S4 -","4","1","TK5392","Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of methyl 4-(2-fluoro-phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetra-hydro-pyrimidine-5-carb-oxy-late.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o838","9","10.1107/S2056989015018873","","","0.71073","MoKα","","0.1331","0.0637","","","0.1175","0.1325","","","","","","0.946","","","","has coordinates","245787","2020-10-21","18:00:00",""
"2311317","7.6954","0.0005","8.1799","0.0005","13.9626","0.0009","95.928","0.002","103.685","0.002","90.137","0.002","849.07","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methyl-thiophene-3-carboxylate","","- C16 H23 N3 O3 S -","- C16 H23 N3 O3 S -","- C32 H46 N6 O6 S2 -","2","1","HB7489","Krishnamurthy, M. S.; Prasad, N. L.; Nagarajaiah, H.; Begum, Noor Shahina","Crystal structure of ethyl 5-[3-(di-methyl-amino)-acrylo-yl]-2-{[(di-methyl-amino)-methyl-idene]-amino}-4-methylthio-phene-3-carb-oxy-late.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o908","9","10.1107/S2056989015018885","","","0.71073","MoKα","","0.0382","0.0321","","","0.0855","0.0886","","","","","","1.022","","","","has coordinates","245788","2020-10-21","18:00:00",""
"2311318","13.3039","0.0012","6.5892","0.0006","9.3753","0.0008","90","","92.419","0.001","90","","821.13","0.13","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","2-Cyano-1-methylpyridinium bromide","","- C7 H7 Br N2 -","- C7 H7 Br N2 -","- C28 H28 Br4 N8 -","4","0.5","HB7523","Nguyen, Vu D.; McCormick, Cameron A.; Pascal, Jr, Robert A; Mague, Joel T.; Koplitz, Lynn V.","Crystal structure of 2-cyano-1-methyl-pyridinium bromide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o854","5","10.1107/S2056989015019167","","","0.71073","MoKα","","0.0258","0.0225","","","0.0473","0.0481","","","","","","1.022","","","","has coordinates","245789","2020-10-21","18:00:00",""
"2311319","6.8118","0.0009","13.6726","0.0018","15.909","0.002","90","","90","","90","","1481.7","0.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-Ethoxy-3-(4-nitrophenyl)-2H-chromen-2-one","","- C17 H13 N O5 -","- C17 H13 N O5 -","- C68 H52 N4 O20 -","4","1","SU5224","Walki, Shashikanth; Naveen, S.; Kenchanna, S.; Mahadevan, K. M.; Kumara, M. N.; Lokanath, N. K.","Crystal structure of 8-eth-oxy-3-(4-nitro-phen-yl)-2H-chromen-2-one.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o860","1","10.1107/S2056989015019325","","","1.54178","CuKα","","0.047","0.045","","","0.1276","0.1311","","","","","","1.028","","","","has coordinates","245790","2020-10-21","18:00:00",""
"2311320","10.9754","0.0002","12.9877","0.0002","8.9544","0.0002","90","","96.546","0.002","90","","1268.09","0.04","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CmoM","2-Methylphenyl N-(pyridin-3-yl)carbamate monohydrate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","LH5787","Mocilac, Pavle; Gallagher, John F.","Two isostructural carbamates: the o-tolyl N-(pyridin-3-yl)carbamate and 2-bromo-phenyl N-(pyridin-3-yl)carbamate monohydrates.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1366","1370","10.1107/S2056989015019556","","","0.71073","MoKα","","0.068","0.0489","","","0.1224","0.1359","","","","","","1.031","","","","has coordinates","245791","2020-10-21","18:00:00",""
"2311321","10.9036","0.0004","13.0518","0.0003","8.9804","0.0003","90","","96.46","0.003","90","","1269.9","0.07","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CmoBr","2-Bromophenyl N-(pyridin-3-yl)carbamate monohydrate","","- C12 H11 Br N2 O3 -","- C12 H11 Br N2 O3 -","- C48 H44 Br4 N8 O12 -","4","1","LH5787","Mocilac, Pavle; Gallagher, John F.","Two isostructural carbamates: the o-tolyl N-(pyridin-3-yl)carbamate and 2-bromo-phenyl N-(pyridin-3-yl)carbamate monohydrates.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1366","1370","10.1107/S2056989015019556","","","0.71073","MoKα","","0.0798","0.0463","","","0.0922","0.1058","","","","","","1.032","","","","has coordinates","245791","2020-10-21","18:00:00",""
"2311322","8.198","0.0001","10.029","0.0002","16.772","0.0003","90","","90","","90","","1378.96","0.04","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4-Dihydroxy-3-hydroxymethyl-9-methyl-6-methylidene-3a,4,5,6,6a,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8(3H,7H)-dione","","- C15 H20 O6 -","- C15 H20 O6 -","- C60 H80 O24 -","4","1","RZ5172","Çelik, Ísmail; Akkurt, Mehmet; Akşit, Hüseyin; Erenler, Ramazan; García-Granda, Santiago","Crystal structure and computational study of 3,4-dihy-droxy-3-hy-droxy-methyl-9-methyl-6-methyl-idene-3a,4,5,6,6a,9,9a,9b-octa-hydro-azuleno[4,5-b]furan-2,8(3H,7H)-dione.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","1425","1428","10.1107/S2056989015019623","","","1.54184","CuKα","","0.0375","0.035","","","0.0929","0.0961","","","","","","1.053","","","","has coordinates","245792","2020-10-21","18:00:00",""
"2311323","16.0126","0.0007","7.4316","0.0003","16.1654","0.0009","90","","94.607","0.004","90","","1917.46","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(9H-Carbazol-9-yl)-N'-[(E)-4-chlorobenzylidene]propanohydrazide","","- C22 H18 Cl N3 O -","- C22 H18 Cl N3 O -","- C88 H72 Cl4 N12 O4 -","4","1","QM2112","Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; El-Emary, Talaat I; Albayati, Mustafa R.","Crystal structure of 3-(9H-carbazol-9-yl)-N'-[(E)-4-chloro-benzyl-idene]propano-hydrazide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o937","8","10.1107/S2056989015020770","","","0.71073","MoKα","","0.1272","0.0575","","","0.1291","0.1669","","","","","","1.019","","","","has coordinates","245793","2020-10-21","18:00:00",""
"2311324","9.0124","0.0002","9.0124","0.0002","12.82","0.0002","90","","90","","90","","1041.28","0.04","150","2","150","2","","","","","","","","4","P 41","P 4w","76","","1-(Cyclopentylideneamino)-3-(prop-2-en-1-yl)thiourea","","- C9 H15 N3 S -","- C9 H15 N3 S -","- C36 H60 N12 S4 -","4","1","HB7535","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Abdel-Aziz, Ahmed T; Albayati, Mustafa R.","Crystal structure of 1-(cyclo-pentyl-idene-amino)-3-(prop-2-en-1-yl)thio-urea.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o924","5","10.1107/S2056989015021003","","","1.54178","CuKα","","0.0432","0.0412","","","0.1074","0.1092","","","","","","1.1","","","","has coordinates","245794","2020-10-21","18:00:00",""
"2311325","8.7759","0.0003","10.6399","0.0003","20.7929","0.0007","90","","93.842","0.003","90","","1937.17","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-chlorophenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","","- C23 H20 Cl N3 O -","- C23 H20 Cl N3 O -","- C92 H80 Cl4 N12 O4 -","4","1","TK5407","Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Allah, Omyma A A Abd; Albayati, Mustafa R.","Crystal structure of 2-amino-4-(4-chloro-phen-yl)-1-(4-methyl-phen-yl)-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o949","50","10.1107/S2056989015021313","","","0.71073","MoKα","","0.0739","0.0528","","","0.1273","0.1436","","","","","","1.044","","","","has coordinates","245795","2020-10-21","18:00:00",""
"2311326","10.8056","0.0008","14.7141","0.0012","23.0408","0.0018","90","","96.181","0.001","90","","3642.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,3-Dimethylanilino)-N'-[(1E)-2-hydroxybenzylidene]benzohydrazide","","- C22 H21 N3 O2 -","- C22 H21 N3 O2 -","- C176 H168 N24 O16 -","8","2","BG2574","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Mohamed, Alaa F.; Albayati, Mustafa R.","Crystal structure of 2-(2,3-di-methyl-anilino)-N'-[(1E)-2-hy-droxy-benzyl-idene]benzohydrazide.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o957","8","10.1107/S2056989015021532","","","0.71073","MoKα","","0.0743","0.047","","","0.1198","0.1327","","","","","","1.057","","","","has coordinates","245796","2020-10-21","18:00:00",""
"2311327","19.4735","0.0007","8.9773","0.0004","20.3414","0.0008","90","","91.619","0.003","90","","3554.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[9-(2-Hydroxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic acid","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C168 H168 N8 O40 -","8","2","HB7542","Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Allah, Omyma A Abd; Tamam, Asmaa H. A.; Albayati, Mustafa R.","Crystal structure of 2-[9-(2-hy-droxy-phen-yl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridin-10-yl]acetic acid.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o963","4","10.1107/S2056989015021611","","","0.71073","MoKα","","0.1444","0.0788","","","0.1882","0.2289","","","","","","1.014","","","","has coordinates","245797","2020-10-21","18:00:00",""
"2311328","8.8287","0.0003","14.2531","0.0005","33.1222","0.0011","90","","90","","90","","4168","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate","","- C23 H24 Br N O5 -","- C23 H24 Br N O5 -","- C184 H192 Br8 N8 O40 -","8","1","WM5239","Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Abdelhamid, Antar A.; Tamam, Asmaa H.; Albayati, Mustafa R.","Crystal structure of ethyl 2-[9-(5-bromo-2-hy-droxy-phen-yl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridin-10-yl]acetate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o989","90","10.1107/S2056989015022240","","","0.71073","MoKα","","0.096","0.0589","","","0.1333","0.1529","","","","","","1.016","","","","has coordinates","245798","2020-10-21","18:00:00",""
"2311329","9.3296","0.0008","10.8407","0.0008","11.3906","0.0009","103.231","0.009","111.888","0.009","104.123","0.009","968.99","0.19","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Diaquabis(2,6-dimethylpyrazine-κN)bis(thiocyanato-κN)cobalt(II) 2,5-dimethylpyrazine trisolvate","","- C32 H44 Co N12 O2 S2 -","- C32 H44 Co N12 O2 S2 -","- C32 H44 Co N12 O2 S2 -","1","0.5","WM5255","Suckert, Stefan; Wöhlert, Susanne; Jess, Inke; Näther, Christian","Crystal structure of di-aqua-bis-(2,6-di-methyl-pyrazine-κN)bis-(thio-cyanato-κN)cobalt(II) 2,5-di-methyl-pyrazine tris-olvate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","m269","70","10.1107/S2056989015024184","","","0.71073","MoKα","","0.055","0.0469","","","0.1236","0.1298","","","","","","1.052","","","","has coordinates","245799","2020-10-21","18:00:00",""
"2311330","5.99933","0.00018","8.2277","0.0002","10.1419","0.0003","74.8964","0.0019","76.019","0.002","71.4496","0.0014","451.27","0.02","300","","300","","","","","","","","","5","P -1","-P 1","2","Sodium potassium hydrogen citrate","sodium potassium hydrogen citrate","","- C6 H6 K Na O7 -","- C6 H6 K Na O7 -","- C12 H12 K2 Na2 O14 -","2","1","BR2256","Rammohan, Alagappa; Kaduk, James A.","Sodium potassium hydrogen citrate, NaKHC6H5O7.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 2","170","173","10.1107/S2056989016000232","powder diffraction","","1.54063","Kα~1~","","","","","","","","","","2.01","","","","","","","has coordinates","245800","2020-10-21","18:00:00",""
"2311331","5.9993","","8.2277","","10.1419","","74.8964","","76.0187","","71.4496","","451.264","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 K Na O7 -","- C6 H6 K Na O7 -","- C12 H12 K2 Na2 O14 -","2","1","","Rammohan, Alagappa; Kaduk, James A.","Sodium potassium hydrogen citrate, NaKHC6H5O7.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 2","170","173","10.1107/S2056989016000232","","","","","","","","","","","","","","","","","","","","","has coordinates","245800","2020-10-21","18:00:00",""
"2311332","5.51284","0.00012","7.62583","0.00013","11.37121","0.00014","83.4276","0.0017","88.991","0.002","84.3488","0.0016","472.586","0.014","300","","300","","","","","","","","","5","P -1","-P 1","2","sodium dipotassium citrate","Sodium dipotassium citrate","","- C6 H5 K2 Na O7 -","- C6 H5 K2 Na O7 -","- C12 H10 K4 Na2 O14 -","2","1","CV5503","Rammohan, Alagappa; Kaduk, James A.","Sodium dipotassium citrate, NaK2C6H5O7.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 3","403","406","10.1107/S2056989016002966","powder diffraction","","1.54063","Kα~1~","","","","","","","","","","1.75","","","","","","","has coordinates","245801","2020-10-21","18:00:00",""
"2311333","5.5128","","7.6258","","11.3712","","83.4276","","88.991","","84.3488","","472.58","","300","","","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H5 K2 Na O7 -","- C6 H5 K2 Na O7 -","- C12 H10 K4 Na2 O14 -","2","1","","Rammohan, Alagappa; Kaduk, James A.","Sodium dipotassium citrate, NaK2C6H5O7.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 3","403","406","10.1107/S2056989016002966","","","","","","","","","","","","","","","","","","","","","has coordinates","245801","2020-10-21","18:00:00",""
"2311334","5.2454","0.0005","15.386","0.0014","19.042","0.003","90","","90.927","0.01","90","","1536.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methoxy]benzene-1,2-dicarbonitrile","","- C18 H13 N5 O -","- C18 H13 N5 O -","- C72 H52 N20 O4 -","4","1","HB7573","Shamsudin, Norzianah; Tan, Ai Ling; Young, David J.; Jotani, Mukesh M.; Otero-de-la-Roza, A; Tiekink, Edward R. T.","4-[(1-Benzyl-1H-1,2,3-triazol-4-yl)meth-oxy]benzene-1,2-dicarbo-nitrile: crystal structure, Hirshfeld surface analysis and energy-minimization calculations.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 4","563","569","10.1107/S2056989016004722","","","0.71073","MoKα","","0.1146","0.0565","","","0.1056","0.1357","","","","","","1.07","","","","has coordinates","245802","2020-10-21","18:00:00",""
"2311335","18.343","0.004","7.9591","0.0016","19.68","0.004","90","","114.65","0.03","90","","2611.3","1.1","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Amino-5-fluoro-1,2-dihydropyrimidin-2-one‒1,3,5-triazine-2,4,6-triamine (4/1)","","- C19 H22 F4 N18 O4 -","- C19 H22 F4 N18 O4 -","- C76 H88 F16 N72 O16 -","4","0.5","HG5470","Mohana, Marimuthu; Muthiah, Packianathan Thomas; Sanjeewa, Liurukara D.; McMillen, Colin D.","Hydrogen-bonding patterns in 5-fluoro-cytosine-melamine co-crystal (4/1).","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 4","552","555","10.1107/S205698901600476X","","","0.71073","MoKα","","0.0478","0.0449","","","0.1176","0.1227","","","","","","1.065","","","","has coordinates","245803","2020-10-21","18:00:00",""
"2311336","5.8403","0.0005","16.3195","0.0013","17.3615","0.0014","90","","90","","90","","1654.7","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-{4-Hydroxy-3-[(pyrrolidin-1-yl)methyl]phenyl}-3-phenylprop-2-en-1-one","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","HB7576","Aydın, Abdullah; Akkurt, Mehmet; Gul, Halise Inci; Yerdelen, Kadir Ozden; Celik, Raziye Catak","Crystal structure of 1-{4-hy-droxy-3-[(pyrrolidin-1-yl)meth-yl]phen-yl}-3-phenyl-prop-2-en-1-one.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 5","696","698","10.1107/S2056989016006009","","","0.71073","MoKα","","0.0491","0.0426","","","0.1122","0.1175","","","","","","1.034","","","","has coordinates","245804","2020-10-21","18:00:00",""
"2311337","4.0548","0.0009","4.0548","0.0009","13.37","0.003","90","","90","","90","","219.82","0.08","300","2","300","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","Lanthanum calcium bismuth oxide fluoride disulfide","","- Bi0.857 Ca0.143 F0.143 La O0.857 S2 -","- Bi0.857 Ca0.143 F0.143 La O0.857 S2 -","- Bi1.714 Ca0.286 F0.286 La2 O1.714 S4 -","2","0.125","","Huang, Rongtie; Zhang, Hui; Wang, Dong; Cai, Chuanbing; Huang, Fuqiang","Crystal structure and magnetic properties of LaCa0.143 (4)O0.857 (4)F0.143 (4)Bi0.857 (4)S2.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 6","845","848","10.1107/S2056989016008082","","","0.71073","MoKα","","0.02","0.0197","","","0.0489","0.0524","","","","","","1.305","","","","has coordinates","245805","2020-10-21","18:00:00",""
"2311338","14.0915","0.0011","15.8984","0.0012","11.2964","0.0007","90","","95.421","0.002","90","","2519.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[(1R,2S,3R,4S,6S)-2,6-Bis(furan-2-yl)-4-hydroxy-4-(thiophen-2-yl)cyclohexane-1,3-diyl]bis(thiophen-2-ylmethanone)","","- C28 H22 O5 S3 -","- C28 H22 O5 S3 -","- C112 H88 O20 S12 -","4","1","SJ5500","Çelik, Ísmail; Ersanlı, Cem Cüneyt; Akkurt, Mehmet; Gezegen, Hayrettin; Köseoğlu, Rahmi","Crystal structure of racemic [(1R,2S,3R,4S,6S)-2,6-bis-(furan-2-yl)-4-hy-droxy-4-(thio-phen-2-yl)cyclo-hexane-1,3-di-yl]bis-(thio-phen-2-yl-methanone).","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 7","976","979","10.1107/S2056989016009452","","","0.71073","MoKα","","0.1142","0.066","","","0.1746","0.204","","","","","","1.037","","","","has coordinates,has disorder","245806","2020-10-21","18:00:00",""
"2311339","9.1877","0.0004","13.6779","0.0005","20.3185","0.0008","104.027","0.003","97.256","0.003","109.576","0.003","2273.13","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II)‒isonicotinamide‒ethanol (1/2/1)","","- C40 H42 Co N14 O7 S2 -","- C40 H42 Co N14 O7 S2 -","- C80 H84 Co2 N28 O14 S4 -","2","1","WM5305","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of tetra-kis-(isonicotinamide-κN)bis-(thio-cyanato-κN)cobalt(II)-isonicotinamide-ethanol (1/2/1).","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 8","1077","1080","10.1107/S2056989016010951","","","0.71073","MoKα","","0.0701","0.0541","","","0.1346","0.142","","","","","","1.098","","","","has coordinates,has disorder","245807","2020-10-21","18:00:00",""
"2311340","9.4578","0.0002","19.291","0.0006","22.2114","0.0005","90","","90","","90","","4052.48","0.18","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(η^5^-cyclopentadienyl)(3-cyclopropyl-N,N'-diisopropylpropynamidinato-κ^2^N,N')ytterbium(III)","","- C22 H29 N2 Yb -","- C22 H29 N2 Yb -","- C176 H232 N16 Yb8 -","8","1","ZL2671","Wang, Sida; Sroor, Farid M.; Liebing, Phil; Lorenz, Volker; Hilfert, Liane; Edelmann, Frank T.","Crystal structures of two ytterbium(III) complexes comprising alkynylamidinate ligands.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 9","1229","1233","10.1107/S2056989016012135","","","0.71073","MoKα","","0.0291","0.0184","","","0.0379","0.0399","","","","","","0.976","","","","has coordinates","245808","2020-10-21","18:00:00",""
"2311341","20.3469","0.0003","20.3469","0.0003","50.3074","0.0011","90","","90","","120","","18036.8","0.5","153","2","153","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tris(3-phenyl-N,N'-dicyclohexylpropynamidinato-κ^2^N,N')ytterbium(III)","","- C63 H81 N6 Yb -","- C63 H81 N6 Yb -","- C756 H972 N72 Yb12 -","12","0.333333","","Wang, Sida; Sroor, Farid M.; Liebing, Phil; Lorenz, Volker; Hilfert, Liane; Edelmann, Frank T.","Crystal structures of two ytterbium(III) complexes comprising alkynylamidinate ligands.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 9","1229","1233","10.1107/S2056989016012135","","","0.71073","MoKα","","0.0404","0.0289","","","0.0663","0.0712","","","","","","1.067","","","","has coordinates,has disorder","245808","2020-10-21","18:00:00",""
"2311342","10.11944","0.00009","8.25445","0.00008","33.8907","0.0003","90","","97.8676","0.0004","90","","2804.26","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis(3-tert-butyl-2-hydroxy-5-methylbenzyl)-1,3-diazinan-5-ol monohydrate","","- C28 H44 N2 O4 -","- C28 H44 N2 O4 -","- C112 H176 N8 O16 -","4","1","SJ5503","Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 1,3-bis-(3-tert-butyl-2-hy-droxy-5-methyl-benz-yl)-1,3-diazinan-5-ol monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 9","1353","1355","10.1107/S2056989016013645","","","1.54187","CuKα","","0.0838","0.0786","","","0.2015","0.2066","","","","","","1.07","","","","has coordinates,has disorder","245809","2020-10-21","18:00:00",""
"2311343","8.8587","0.0005","22.1427","0.0008","7.1657","0.0002","90","","108.497","0.003","90","","1332.98","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(2-Hydroxyethyl)-2-methylsulfanyl-6-nitro-3H-benzimidazol-1-ium chloride monohydrate","","- C10 H14 Cl N3 O4 S -","- C10 H14 Cl N3 O4 S -","- C40 H56 Cl4 N12 O16 S4 -","4","1","","Abou, Akoun; Coulibali, Siomenan; Kakou-Yao, Rita; Zoueu, T Jérémie; Tenon, A. Jules","Crystal structure of 3-(2-hy-droxy-eth-yl)-2-methyl-sulfanyl-6-nitro-3H-benzimidazol-1-ium chloride monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 9","1356","1359","10.1107/S2056989016013657","","","0.71073","MoKα","","0.0545","0.0374","","","0.0972","0.1099","","","","","","1.057","","","","has coordinates","245810","2020-10-21","18:00:00",""
"2311344","7.1114","0.0004","16.3899","0.0012","32.812","0.002","90","","90","","90","","3824.4","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4a,7,7,10a-Pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromen-9-ol","","- C20 H34 O2 -","- C20 H34 O2 -","- C160 H272 O16 -","8","2","BG2593","Çelik, Ísmail; Ersanlı, Cem Cüneyt; Köseoğlu, Rahmi; Akşit, Hüseyin; Erenler, Ramazan; Demirtaş, Ibrahim; Akkurt, Mehmet","Crystal structure of 3,4a,7,7,10a-penta-methyl-3-vinyl-dodeca-hydro-1H-benzo[f]chromen-9-ol isolated from Sideritis perfoliata.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 10","1380","1382","10.1107/S2056989016013864","","","0.71073","MoKα","","0.134","0.0603","","","0.1089","0.1296","","","","","","1.021","","","","has coordinates","245811","2020-10-21","18:00:00",""
"2311345","11.9028","0.0005","32.2189","0.0014","35.5223","0.0015","90","","90","","90","","13622.6","1","100","2","100","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","1-Phenylimido-1-{6-[1-(phenylimino)ethyl]pyridin-2-yl}ethan-1-yl-κ^3^N,N',N'')iron(II)","","- C42 H38 Fe N6 -","- C42 H38 Fe N6 -","- C672 H608 Fe16 N96 -","16","1","WM5324","Lau, Ka-Cheong; Filatov, Alexander S.; Jordan, Richard F.","Crystal structure of 1-phenyl-imido-1-{6-[1-(phenyl-imino)-eth-yl]pyridin-2-yl}ethan-1-yl-κ3N,N',N'')iron(II).","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 11","1595","1598","10.1107/S2056989016015528","","","0.71073","MoKα","","0.0667","0.0534","","","0.1218","0.1278","","","","","","1.193","","","","has coordinates","245812","2020-10-21","18:00:00",""
"2311346","11.0235","0.0004","20.5399","0.0009","12.9222","0.0005","90","","93.25","0.003","90","","2921.2","0.2","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Nitrato-κO)bis(1,10'-phenanthroline-κ^2^N,N')copper(II) nitrate gallic acid monosolvate monohydrate","","- C31 H24 Cu N6 O12 -","- C31 H24 Cu N6 O12 -","- C124 H96 Cu4 N24 O48 -","4","1","WM5328","Shen, Fwu Ming; Lush, Shie Fu","Crystal structure of (nitrato-κO)bis-(1,10'-phenanthroline-κ2N,N')copper(II) nitrate gallic acid monosolvate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 11","1577","1580","10.1107/S2056989016016066","","","0.71073","MoKα","","0.0633","0.0507","","","0.1282","0.1366","","","","","","1.101","","","","has coordinates","245813","2020-10-21","18:00:00",""
"2311347","8.0245","0.0004","13.2482","0.0009","30.454","0.0019","90","","90","","90","","3237.6","0.3","213","2","213","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis{N'-[(E)-4-hydroxybenzylidene]pyridine-4-carbohydrazide-κN^1^}diiodidocadmium methanol disolvate","","- C28 H30 Cd I2 N6 O6 -","- C28 H30 Cd I2 N6 O6 -","- C112 H120 Cd4 I8 N24 O24 -","4","0.5","SJ5516","Afkhami, Farhad Akbari; Krautscheid, Harald; Atioğlu, Zeliha; Akkurt, Mehmet","Crystal structure of bis-{N'-[(E)-4-hy-droxy-benzyl-idene]pyridine-4-carbohydrazide-κN1}di-iodidocadmium methanol disolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 1","28","30","10.1107/S2056989016019575","","","0.71073","MoKα","","0.0481","0.0398","","","0.0925","0.0939","","","","","","0.881","","","","has coordinates","245814","2020-10-21","18:00:00",""
"2311348","5.97796","0.00017","15.096","0.0004","5.32067","0.00019","90","","93.9341","0.0013","90","","479.02","0.03","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","dirubidium hydrogen citrate","Dirubidium hydrogen citrate","","- C6 H6 O7 Rb2 -","- C6 H6 O7 Rb2 -","- C12 H12 O14 Rb4 -","2","0.5","VN2120","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 1","92","95","10.1107/S2056989016020168","powder diffraction","","1.54063","Kα~1~","","","","","","","","","","1.82","","","","","","","has coordinates","245815","2020-10-21","18:00:00",""
"2311349","5.978","","15.0961","","5.3207","","90","","93.9354","","90","","479.032","","300","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H6 O7 Rb2 -","- C6 H6 O7 Rb2 -","- C12 H12 O14 Rb4 -","2","0.5","","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 1","92","95","10.1107/S2056989016020168","","","","","","","","","","","","","","","","","","","","","has coordinates","245815","2020-10-21","18:00:00",""
"2311350","19.509","0.002","8.2306","0.0013","11.1","0.002","90","","90","","90","","1782.3","0.5","303","2","303","1","","","","","","","","4","P n a 21","P 2c -2n","33","","Poly[bis(μ~3~-cyanido-κ^3^C:C:N)tris(μ~2~-cyanido-κ^2^C:N)bis(N-methylethane-1,2-diamine\- κ^2^N,N')tricopper(I)copper(II)]","","- C11 H20 Cu4 N9 -","- C11 H20 Cu4 N9 -","- C44 H80 Cu16 N36 -","4","1","PK2594","Corfield, Peter W. R.; Sabatino, Alexander","Crystal structures of two mixed-valence copper cyanide complexes with N-methyl-ethylenedi-amine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","141","146","10.1107/S2056989017000111","","","0.7107","MoKα","","0.0189","0.018","","","0.0445","0.0447","","","","","","1.046","","","","has coordinates","245816","2020-10-21","18:00:00",""
"2311351","7.5621","0.0002","8.8689","0.0002","12.8098","0.0003","94.6851","0.0014","101.861","0.0012","108.378","0.0013","787.91","0.03","300","1","300","1","","","","","","","","5","P -1","-P 1","2","bis(N-methylethylenediamine)copper(II)-μ-cyano-copper(I)dicyanide","[(N-Methylethylenediamine-κ^2^N,N')copper(II)]-μ~2~-cyanido-κ^2^C:N-[bis(cyanido-κC)copper(I)] monohydrate","","- C9 H22 Cu2 N7 O -","- C9 H22 Cu2 N7 O -","- C18 H44 Cu4 N14 O2 -","2","1","","Corfield, Peter W. R.; Sabatino, Alexander","Crystal structures of two mixed-valence copper cyanide complexes with N-methyl-ethylenedi-amine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","141","146","10.1107/S2056989017000111","","","0.7107","MoKα","","0.0224","0.0205","","","0.0517","0.0529","","","","","","1.073","","","","has coordinates","245816","2020-10-21","18:00:00",""
"2311352","8.7362","0.0002","20.5351","0.00016","5.1682","0.0005","90","","90","","90","","927.17","0.09","300","","300","","","","","","","","","4","P n a 21","P 2c -2n","33","cesium dihydrogen citrate","cesium dihydrogen citrate","","- C6 H7 Cs O7 -","- C6 H7 Cs O7 -","- C24 H28 Cs4 O28 -","4","1","VN2124","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of caesium di-hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","133","136","10.1107/S2056989017000135","powder diffraction","","1.54063","Kα~1~","","","","","","","","","","3.43","","","","","","","has coordinates","245817","2020-10-21","18:00:00",""
"2311353","8.7362","","20.5351","","5.1682","","90","","90","","90","","927.169","","300","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H7 Cs O7 -","- C6 H7 Cs O7 -","- C24 H28 Cs4 O28 -","4","1","","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of caesium di-hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","133","136","10.1107/S2056989017000135","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","245817","2020-10-21","18:00:00",""
"2311354","14.3221","0.0006","14.3742","0.0006","17.4049","0.0007","66.915","0.002","81.233","0.002","78.528","0.002","3219.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis(μ-benzoato-κ^2^O:O')bis(benzoato-κO)octabutyldi-μ~3~-oxido-tetratin(IV)","","- C60 H92 O10 Sn4 -","- C60 H92 O10 Sn4 -","- C120 H184 O20 Sn8 -","2","1","ZL2692","Reuter, Hans; Okio, Coco K. Y. A.","Bis(μ-benzoato-κ2O:O')bis-(benzoato-κO)octabutyldi-μ3-oxido-tetra-tin(IV).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","322","326","10.1107/S2056989017001505","","","0.71073","MoKα","","0.0239","0.019","","","0.0407","0.0429","","","","","","1.039","","","","has coordinates,has disorder","245818","2020-10-21","18:00:00",""
"2311355","10.0052","0.0006","10.2173","0.0005","10.6694","0.0005","87.515","0.004","68.625","0.005","73.988","0.005","974.27","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Poly[[aqua(μ-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylato-κ^2^O^5^:O^7^)[μ-di(pyridin-4-yl)sulfane-κ^2^N:N']zinc] 0.26-hydrate]","","- C18 H14.524 N2 O7.262 S2 Zn -","- C18 H14 N2 O7.262 S2 Zn -","- C36 H28 N4 O14.524 S4 Zn2 -","2","1","WM5363","Wu, Wen-Liang; Hu, Bing","Crystal structure of poly[[aqua-(μ-2,3-di-hydro-thieno[3,4-b][1,4]dioxine-5,7-di-carboxyl-ato-κ2O5:O7)[μ-di(pyridin-4-yl)sulfane-κ2N:N']zinc] 0.26-hydrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","375","377","10.1107/S2056989017002031","","","0.71073","MoKα","","0.0342","0.0298","","","0.0672","0.0694","","","","","","1.011","","","","has coordinates,has disorder","245819","2020-10-21","18:00:00",""
"2311356","14.7579","0.0005","6.793","0.0003","17.2873","0.0005","90","","91.287","0.003","90","","1732.62","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^6^-Benzoyladenine‒4-hydroxybenzoic acid (1/1)","","- C19 H15 N5 O4 -","- C19 H15 N5 O4 -","- C76 H60 N20 O16 -","4","1","HG5481","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supra-molecular hydrogen-bonding patterns in a 1:1 co-crystal of the N(7)-H tautomeric form of N6-benzoyl-adenine with 4-hy-droxy-benzoic acid.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","383","386","10.1107/S2056989017002171","","","1.54184","CuKα","","0.0695","0.0529","","","0.1428","0.1611","","","","","","1.021","","","","has coordinates","245820","2020-10-21","18:00:00",""
"2311357","11.5799","0.0007","7.391","0.0003","21.9848","0.0016","90","","103.033","0.007","90","","1833.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzylidene]hydrazinecarbodithioato-κ^2^N^2^,S}nickel(II):","","- C38 H42 N4 Ni S4 -","- C38 H42 N4 Ni S4 -","- C76 H84 N8 Ni2 S8 -","2","0.5","HB7658","Yusof, Enis Nadia Md; Ravoof, Thahira B. S. A.; Tahir, Mohamed I. M.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzyl-idene]hydrazine-carbodi-thio-ato-κ2N2,S}nickel(II): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","397","402","10.1107/S2056989017002419","","","0.7107","MoKα","","0.049","0.0349","","","0.0779","0.0847","","","","","","1.016","","","","has coordinates","245821","2020-10-21","18:00:00",""
"2311358","7.827","0.0016","15.407","0.003","18.086","0.004","90","","100.86","0.03","90","","2141.9","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[(oxalato-κ^2^O^1^,O^2^)(1,4,8,11-tetraazacyclotetradecane-κ^4^N)chromium(III)] dichromate octahydrate","","- C24 H64 Cr4 N8 O23 -","- C24 H64 Cr4 N8 O23 -","- C48 H128 Cr8 N16 O46 -","2","0.5","SJ5521","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of bis-[(oxalato-κ2O1,O2)(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ4N)chromium(III)] dichromate octa-hydrate from synchrotron X-ray data.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","403","406","10.1107/S2056989017002614","","","0.61","synchrotron","","0.0561","0.0478","","","0.1394","0.1448","","","","","","1.041","","","","has coordinates,has disorder","245822","2020-10-21","18:00:00",""
"2311359","6.7693","0.0004","13.8357","0.0007","7.6661","0.0004","90","","104.709","0.002","90","","694.46","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethylbis[2,4-pentanedionato(1-)-κ^2^O^2^,O^4^]tin(IV)","","- C12 H20 O4 Sn -","- C12 H20 O4 Sn -","- C24 H40 O8 Sn2 -","2","0.5","","Reuter, Hans; Reichelt, Martin","Redetermination of the crystal structure of di-methyl-bis-[2,4-penta-nedionato(1-)-κ2O2,O4]tin(IV).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","472","475","10.1107/S2056989017003206","","","0.71073","MoKα","","0.0162","0.0129","","","0.032","0.0336","","","","","","1.11","","","","has coordinates","245823","2020-10-21","18:00:00",""
"2311360","19.8257","0.0018","3.9754","0.0004","9.5881","0.0009","90","","101.645","0.005","90","","740.13","0.12","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Thallium penta(indium/chromium) octaselenide","","- Cr0.189 In4.811 Se8 Tl -","- Cr0.189 In4.811 Se8 Tl1.0002 -","- Cr0.378 In9.622 Se16 Tl2.0004 -","2","0.25","WM5368","Lefèvre, Robin; Berthebaud, David; Gascoin, Franck","Substitution of indium for chromium in TlIn5-x Cr x Se8: crystal structure of TlIn4.811(5)Cr0.189(5)Se8.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","500","502","10.1107/S2056989017003292","","","0.71073","MoKα","","0.0463","0.0302","","","0.0297","0.0308","","","","","","1.34","","","","has coordinates","245824","2020-10-21","18:00:00",""
"2311361","10.9569","0.0006","11.0012","0.0006","11.9738","0.0007","69.073","0.006","75.593","0.007","61.409","0.006","1178.37","0.14","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","Bromido-fac-tricarbonyl[5-(3,4,5-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ^2^N^2^,N^3^]rhenium(I) methanol monosolvate","","- C20 H20 Br N4 O7 Re -","- C20 H20 Br N4 O7 Re -","- C40 H40 Br2 N8 O14 Re2 -","2","1","WM5372","Kharlova, Marharyta I.; Piletska, Kseniia O.; Domasevitch, Kostiantyn V.; Shtemenko, Alexander V.","Crystal structure of bromido-fac-tricarbon-yl[5-(3,4,5-tri-meth-oxy-phen-yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2N2,N3]rhenium(I) methanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","484","487","10.1107/S2056989017003371","","","0.71073","MoKα","","0.0271","0.0189","","","0.0333","0.0339","","","","","","0.836","","","","has coordinates","245825","2020-10-21","18:00:00",""
"2311362","7.4441","0.0015","14.625","0.003","14.074","0.003","90","","99.693","0.003","90","","1510.4","0.5","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(μ-2-methylbenzenethiolato-κ^2^S:S)bis[methyl(2-methylbenzenethiolato-κS)indium(III)]","","- C30 H34 In2 S4 -","- C30 H34 In2 S4 -","- C60 H68 In4 S8 -","2","1","LH5837","Briand, Glen G.; Decken, Andreas; Dickie, Courtney M.; MacNeil, Gregory","Synthesis and crystal structure of bis-(μ-2-methyl-benzene-thiol-ato-κ2S:S)bis-[meth-yl(2-methyl-benzene-thiol-ato-κS)indium(III)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","481","483","10.1107/S2056989017003498","","","0.71073","MoKα","","0.0504","0.0344","","","0.0673","0.0739","","","","","","1.041","","","","has coordinates","245826","2020-10-21","18:00:00",""
"2311363","9.5842","0.0015","11.0788","0.0016","12.989","0.002","90","","100.014","0.004","90","","1358.2","0.4","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[bis[μ~2~-N-ethyl-N-(pyridin-4-ylmethyl)dithiocarbamato-\ κ^3^N:S,S']cadmium(II)] 3-methylpyridine monosolvate]","","- C24 H29 Cd N5 S4 -","- C24 H29 Cd N5 S4 -","- C48 H58 Cd2 N10 S8 -","2","1","HB7664","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","A two-dimensional coordination polymer: poly[[bis-[μ2-N-ethyl-N-(pyridin-4-ylmeth-yl)di-thio-carbamato-κ3N:S,S']cadmium(II)] 3-methyl-pyridine monosolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","488","492","10.1107/S2056989017003516","","","0.71069","MoKα","","0.0374","0.0371","","","0.0905","0.0907","","","","","","1.075","","","","has coordinates","245827","2020-10-21","18:00:00",""
"2311364","9.18","0.0002","12.146","0.0002","14.9005","0.0003","88.49","0.002","89.166","0.002","83.278","0.002","1649.31","0.06","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","Bis(1,10-phenanthroline-κ^2^N,N')(1,3-thiazole-2-thiolato-κ^2^S^2^,N)nickel(II) hexafluoridophosphate 1,4-dioxane sesquisolvate","","- C33 H30 F6 N5 Ni O3 P S2 -","- C33 H30 F6 N5 Ni O3 P S2 -","- C66 H60 F12 N10 Ni2 O6 P2 S4 -","2","1","WM5374","Kai, Keisuke; Hamaguchi, Tomohiko; Ando, Isao","Crystal structure of bis-(1,10-phenanthroline-κ2N,N')(1,3-thia-zole-2-thiol-ato-κ2S2,N)nickel(II) hexa-fluorido-phosphate 1,4-dioxane sesquisolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","590","593","10.1107/S205698901700456X","","","0.71073","MoKα","","0.0519","0.0412","","","0.0889","0.0941","","","","","","1.023","","","","has coordinates","245828","2020-10-21","18:00:00",""
"2311365","5.2156","0.0005","14.0812","0.0014","9.0595","0.0009","90","","99.366","0.002","90","","656.48","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis(pyrimidin-1-ium-4,6-diolato-κO^4^)manganese(II)","","- C8 H14 Mn N4 O8 -","- C8 H14 Mn N4 O8 -","- C16 H28 Mn2 N8 O16 -","2","0.5","WM5373","Shennara, Khaled A.; Butcher, Ray J.; Greenaway, Frederick T.","Crystal structure of tetra-aqua-bis-(pyrimidin-1-ium-4,6-diolato-κO4)manganese(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","620","622","10.1107/S2056989017004649","","","0.71073","MoKα","","0.028","0.0266","","","0.0701","0.0712","","","","","","1.103","","","","has coordinates","245829","2020-10-21","18:00:00",""
"2311366","12.1618","0.0005","19.8355","0.0008","10.0403","0.0006","90","","91.417","0.006","90","","2421.3","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[μ-1(η^5^)-(Adamantan-1-yl-2κC^1^)cycylopentadienyl]di-μ~2~-methyl-methyl-2κC-[1(η^5^)-pentamethylcyclopentadienyl]-aluminiumtitanium(III)","","- C28 H42 Al Ti -","- C28 H42 Al Ti -","- C112 H168 Al4 Ti4 -","4","1","WM5378","Oswald, Tim; Diekmann, Mira; Frey, Annika; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structures of titanium-aluminium and -gallium complexes bearing two μ2 -CH3 units.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","691","693","10.1107/S2056989017004856","","","0.71073","MoKα","","0.055","0.0311","","","0.063","0.0677","","","","","","0.867","","","","has coordinates","245830","2020-10-21","18:00:00",""
"2311367","12.1445","0.0008","19.9196","0.0007","10.035","0.0004","90","","91.4","0.007","90","","2426.9","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[μ-1(η^5^)-(Adamantan-1-yl-2κC^1^)cycylopentadienyl]di-μ~2~-methyl-methyl-2κC-[1(η^5^)-pentamethylcyclopentadienyl]-galliumtitanium(III)","","- C28 H42 Ga Ti -","- C28 H42 Ga Ti -","- C112 H168 Ga4 Ti4 -","4","1","WM5378","Oswald, Tim; Diekmann, Mira; Frey, Annika; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structures of titanium-aluminium and -gallium complexes bearing two μ2 -CH3 units.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","691","693","10.1107/S2056989017004856","","","0.71073","MoKα","","0.034","0.0262","","","0.0636","0.0653","","","","","","0.937","","","","has coordinates","245830","2020-10-21","18:00:00",""
"2311368","7.5482","0.0004","15.7571","0.0008","14.6407","0.0006","90","","95.132","0.004","90","","1734.35","0.15","130","0.1","130","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromido{N-[(pyridin-2-yl-κN)methylidene]picolinohydrazide-κ^2^N',O}cadmium methanol monosolvate","","- C13 H14 Br2 Cd N4 O2 -","- C13 H14 Br2 Cd N4 O2 -","- C52 H56 Br8 Cd4 N16 O8 -","4","1","SU5361","Khandar, Ali Akbar; Afkhami, Farhad Akbari; Krautscheid, Harald; Kristoffersen, Kenneth Aase; Atioğlu, Zeliha; Akkurt, Mehmet; Görbitz, Carl Henrik","Crystal structures of di-bromido-{N-[(pyridin-2-yl-κN)methyl-idene]picolinohydrazide-κ2N',O}cadmium methanol monosolvate and di-iodido{N-[(pyridin-2-yl-κN)methyl-idene]picolinohydrazide-κ2N',O}cadmium.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","698","701","10.1107/S2056989017005308","","","1.5418","CuKα","","0.0486","0.0335","","","0.071","0.0779","","","","","","1.023","","","","has coordinates","245831","2020-10-21","18:00:00",""
"2311369","7.5264","0.0007","13.1325","0.0012","16.5718","0.0015","90","","94.384","0.001","90","","1633.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diiodido{N-[(pyridin-2-yl-κN)methylidene]picolinohydrazide-κ^2^N',O}cadmium","","- C12 H10 Cd I2 N4 O -","- C12 H10 Cd I2 N4 O -","- C48 H40 Cd4 I8 N16 O4 -","4","1","SU5361","Khandar, Ali Akbar; Afkhami, Farhad Akbari; Krautscheid, Harald; Kristoffersen, Kenneth Aase; Atioğlu, Zeliha; Akkurt, Mehmet; Görbitz, Carl Henrik","Crystal structures of di-bromido-{N-[(pyridin-2-yl-κN)methyl-idene]picolinohydrazide-κ2N',O}cadmium methanol monosolvate and di-iodido{N-[(pyridin-2-yl-κN)methyl-idene]picolinohydrazide-κ2N',O}cadmium.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","698","701","10.1107/S2056989017005308","","","0.71073","MoKα","","0.0321","0.0229","","","0.0541","0.0578","","","","","","1.06","","","","has coordinates,has disorder","245831","2020-10-21","18:00:00",""
"2311370","10.6489","0.0002","31.7578","0.0004","10.7212","0.0002","90","","108.607","0.002","90","","3436.24","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","μ~3~-Chlorido-μ~2~-chlorido-(μ~3~-pyrrolidine-1-carbodithioato-κ^4^S:S,S':S')tris[(triethylphosphane-κP)copper(I)]","","- C23 H53 Cl2 Cu3 N P3 S2 -","- C23 H53 Cl2 Cu3 N P3 S2 -","- C92 H212 Cl8 Cu12 N4 P12 S8 -","4","1","HB7670","Tan, Yi Jiun; Yeo, Chien Ing; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbo-dithio-ato-κ4S:S,S':S')tris-[(tri-ethyl-phosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","720","725","10.1107/S2056989017005382","","","1.54184","CuKα","","0.0307","0.0283","","","0.0716","0.073","","","","","","1.041","","","","has coordinates","245832","2020-10-21","18:00:00",""
"2311371","29.5261","0.0005","10.1413","0.0002","8.0906","0.0002","90","","91.894","0.004","90","","2421.27","0.09","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[diaquabis(2,4,6-trimethylbenzoato-κO)cobalt(II)]-μ-aqua-κ^2^O:O'] dihydrate]","","- C20 H32 Co O9 -","- C20 H32 Co O9 -","- C80 H128 Co4 O36 -","4","0.5","PJ2043","Hökelek, Tuncer; Akduran, Nurcan; Özkaya, Safiye; Necefoğlu, Hacali","Crystal structure of catena-poly[[[di-aqua-bis-(2,4,6-tri-methyl-benzoato-κO)cobalt(II)]-μ-aqua-κ2O:O] dihydrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","708","712","10.1107/S2056989017005564","","","0.71073","MoKα","","0.0728","0.0604","","","0.1513","0.1662","","","","","","1.088","","","","has coordinates","245833","2020-10-21","18:00:00",""
"2311372","7.842","0.002","9.937","0.002","8.686","0.002","90","","108.45","0.03","90","","642.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","silver aluminium hydrogen arsenate","Silver(I) aluminium bis[hydrogen arsenate(V)]","","- Ag Al As2 H2 O8 -","- Ag Al As2 H2 O8 -","- Ag4 Al4 As8 H8 O32 -","4","0.5","PK2600","Schwendtner, Karolina; Kolitsch, Uwe","New M+, M3+-arsenates - the framework structures of AgM3+(HAsO4)2 (M3+ = Al, Ga) and M+GaAs2O7 (M+ = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.0149","0.0139","","","0.037","0.0374","","","","","","1.095","","","","has coordinates","245834","2020-10-21","18:00:00",""
"2311373","7.826","0.002","10.216","0.002","8.694","0.002","90","","107.77","0.03","90","","661.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","silver gallium hydrogen arsenate","Silver(I) gallium bis[hydrogen arsenate(V)]","","- Ag As2 Ga H2 O8 -","- Ag0.996 As2 Ga H2 O8 -","- Ag3.984 As8 Ga4 H8 O32 -","4","0.5","","Schwendtner, Karolina; Kolitsch, Uwe","New M+, M3+-arsenates - the framework structures of AgM3+(HAsO4)2 (M3+ = Al, Ga) and M+GaAs2O7 (M+ = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.016","0.0147","","","0.0362","0.0366","","","","","","1.146","","","","has coordinates","245834","2020-10-21","18:00:00",""
"2311374","7.049","0.001","8.368","0.002","9.735","0.002","90","","108.47","0.03","90","","544.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","silver gallium diarsenate","Silver(I) gallium diarsenate(V)","","- Ag As2 Ga O7 -","- Ag As2 Ga O7 -","- Ag4 As8 Ga4 O28 -","4","1","","Schwendtner, Karolina; Kolitsch, Uwe","New M+, M3+-arsenates - the framework structures of AgM3+(HAsO4)2 (M3+ = Al, Ga) and M+GaAs2O7 (M+ = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.0378","0.0326","","","0.0858","0.0891","","","","","","1.048","","","","has coordinates,has disorder","245834","2020-10-21","18:00:00",""
"2311375","6.987","0.001","8.266","0.002","9.677","0.002","90","","107.5","0.03","90","","533","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","sodium gallium diarsenate","Sodium gallium diarsenate(V)","","- As2 Ga Na O7 -","- As2 Ga Na O7 -","- As8 Ga4 Na4 O28 -","4","1","","Schwendtner, Karolina; Kolitsch, Uwe","New M+, M3+-arsenates - the framework structures of AgM3+(HAsO4)2 (M3+ = Al, Ga) and M+GaAs2O7 (M+ = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.0406","0.0325","","","0.0854","0.09","","","","","","1.037","","","","has coordinates","245834","2020-10-21","18:00:00",""
"2311376","9.8767","0.0005","11.4597","0.0005","14.3166","0.0007","90","","104.458","0.0007","90","","1569.1","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aqua-trans-bis(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)nickel(II)","","- C11 H17 N Ni O7 S2 -","- C11 H17 N Ni O7 S2 -","- C44 H68 N4 Ni4 O28 S8 -","4","0.5","WM5380","Liu, Chen; Felts, Ashley C.; Takahashi, Daisuke; Kinden, Wesley S.; Abboud, Khalil A.","Crystal structure of aqua-trans-bis-(dimethyl sulfoxide-κO)(pyridine-2,6-di-carboxyl-ato-κ3O2,N,O6)nickel(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","777","779","10.1107/S2056989017006090","","","0.71073","MoKα","","0.0162","0.0159","","","0.0429","0.0432","","","","","","1.055","","","","has coordinates","245835","2020-10-21","18:00:00",""
"2311377","10.1472","0.0001","13.6653","0.0001","13.8122","0.0001","90","","104.959","0.001","90","","1850.36","0.03","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dimethylbis(morpholine-4-carbodithioato-κ^2^S,S')tin(IV)","","- C12 H22 N2 O2 S4 Sn -","- C12 H22 N2 O2 S4 Sn -","- C48 H88 N8 O8 S16 Sn4 -","4","1","HB7675","Zaldi, Nordiyana Binti; Hussen, Rusnah Syahila Duali; Lee, See Mun; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Secondary bonding in di-methyl-bis-(morpholine-4-carbodi-thio-ato-κ2S,S')tin(IV): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","842","848","10.1107/S2056989017006855","","","1.54184","CuKα","","0.0245","0.024","","","0.0642","0.0645","","","","","","1.072","","","","has coordinates","245836","2020-10-21","18:00:00",""
"2311378","12.5864","0.0003","11.6273","0.0003","19.1271","0.0005","90","","90.529","0.001","90","","2799.05","0.12","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Bis[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ^2^N^1^,S]nickel(II) dimethylformamide monosolvate","","- C27 H35 N7 Ni O S2 -","- C27 H35 N7 Ni O S2 -","- C108 H140 N28 Ni4 O4 S8 -","4","1","WM5389","de Oliveira, Adriano Bof; Beck, Johannes; Mellone, Sônia Elizabeth Brown S; Daniels, Jörg","A new example of intra-molecular C-H⋯Ni anagostic inter-actions: synthesis, crystal structure and Hirshfeld analysis of cis-bis-[4-methyl-2-(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)hydrazinecarbo-thio-amidato-κ2N1,S]nickel(II) di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","859","863","10.1107/S2056989017007198","","","0.71073","MoKα","","0.0551","0.0335","","","0.0737","0.0809","","","","","","1.028","","","","has coordinates","245837","2020-10-21","18:00:00",""
"2311379","10.0709","0.0017","20.322","0.006","13.886","0.004","90","","102.776","0.018","90","","2771.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Chloro-N^1^-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine","","- C15 H13 Cl N4 -","- C15 H13 Cl N4 -","- C120 H104 Cl8 N32 -","8","2","","Yartsev, Yegor; Palchikov, Vitaliy; Gaponov, Alexandr; Shishkina, Svitlana","Crystal structure of 5-chloro-N1-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-di-amine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","876","879","10.1107/S2056989017007381","","","0.71073","MoKα","","0.0635","0.0369","","","0.0947","0.1023","","","","","","0.937","","","","has coordinates","245838","2020-10-21","18:00:00",""
"2311380","7.1078","0.0011","24.544","0.004","6.0449","0.0009","90","","101.898","0.002","90","","1031.9","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2E,2'E)-3,3'-(1,4-Phenylene)bis[1-(2-methoxyphenyl)prop-2-en-1-one]","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","0.5","HB7678","Sim, Aijia; Chidan Kumar, C. S.; Kwong, Huey Chong; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Chandraju, S.; Lokanath, N. K.; Warad, Ismail","Three closely related (2E,2'E)-3,3'-(1,4-phenyl-ene)bis-[1-(meth-oxy-phen-yl)prop-2-en-1-ones]: supra-molecular assemblies in one dimension mediated by hydrogen bonding and C-H⋯π inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","896","900","10.1107/S2056989017007460","","","0.71073","MoKα","","0.0549","0.0402","","","0.1087","0.1192","","","","","","1.033","","","","has coordinates","245839","2020-10-21","18:00:00",""
"2311381","5.2626","0.0005","15.6157","0.0014","12.4824","0.0011","90","","98.76","0.002","90","","1013.83","0.16","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2E,2'E)-3,3'-(1,4-Phenylene)bis[1-(3-methoxyphenyl)prop-2-en-1-one]","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","0.5","HB7678","Sim, Aijia; Chidan Kumar, C. S.; Kwong, Huey Chong; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Chandraju, S.; Lokanath, N. K.; Warad, Ismail","Three closely related (2E,2'E)-3,3'-(1,4-phenyl-ene)bis-[1-(meth-oxy-phen-yl)prop-2-en-1-ones]: supra-molecular assemblies in one dimension mediated by hydrogen bonding and C-H⋯π inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","896","900","10.1107/S2056989017007460","","","0.71073","MoKα","","0.0743","0.0436","","","0.1119","0.132","","","","","","1.034","","","","has coordinates","245839","2020-10-21","18:00:00",""
"2311382","6.9595","0.0006","21.0272","0.0017","8.3297","0.0007","90","","103.602","0.002","90","","1184.77","0.17","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2E,2'E)-3,3'-(1,4-Phenylene)bis[1-(3,4-dimethoxyphenyl)prop-2-en-1-one]","","- C28 H26 O6 -","- C28 H26 O6 -","- C56 H52 O12 -","2","0.5","HB7678","Sim, Aijia; Chidan Kumar, C. S.; Kwong, Huey Chong; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Chandraju, S.; Lokanath, N. K.; Warad, Ismail","Three closely related (2E,2'E)-3,3'-(1,4-phenyl-ene)bis-[1-(meth-oxy-phen-yl)prop-2-en-1-ones]: supra-molecular assemblies in one dimension mediated by hydrogen bonding and C-H⋯π inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","896","900","10.1107/S2056989017007460","","","0.71073","MoKα","","0.0699","0.0487","","","0.1215","0.1358","","","","","","1.043","","","","has coordinates","245839","2020-10-21","18:00:00",""
"2311383","11.4866","0.0003","9.4448","0.0002","16.8257","0.0005","90","","109.227","0.003","90","","1723.58","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4aS,8aS)-2-[(2R,3S)-3-Benzamido-2-benzoyloxy-4-phenylbutyl]-N-tert-butyldecahydroisoquinoline-3-carboxamide","","- C38 H47 N3 O4 -","- C38 H47 N3 O4 -","- C76 H94 N6 O8 -","2","1","PK2602","Cunico, Wilson; Ferreira, Maria de Lourdes G; Wardell, James L.; Harrison, William T. A.","Different intra- and inter-molecular hydrogen-bonding patterns in (3S,4aS,8aS)-2-[(2R,3S)-3-(2,5-X2-benzamido)-2-(2,5-X2-benzo-yloxy)-4-phenyl-butyl]-N-tert-butyldeca-hydro-iso-quinoline-3-carboxamides (X = H or Cl): compounds with moderate aspartyl protease inhibition activity.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","913","917","10.1107/S2056989017007800","","","1.54184","CuKα","","0.0671","0.0558","","","0.1414","0.1506","","","","","","1.068","","","","has coordinates","245840","2020-10-21","18:00:00",""
"2311384","10.4539","0.0001","15.1917","0.0001","24.3677","0.0002","90","","90","","90","","3869.9","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S,4aS,8aS)-2-[(2R,3S)-3-(2,5-Dichlorobenzamido)-2-(2,5-dichlorobenzoyloxy)-4-phenylbutyl]-N-tert-butyldecahydroisoquinoline-3-carboxamide","","- C38 H43 Cl4 N3 O4 -","- C38 H43 Cl4 N3 O4 -","- C152 H172 Cl16 N12 O16 -","4","1","PK2602","Cunico, Wilson; Ferreira, Maria de Lourdes G; Wardell, James L.; Harrison, William T. A.","Different intra- and inter-molecular hydrogen-bonding patterns in (3S,4aS,8aS)-2-[(2R,3S)-3-(2,5-X2-benzamido)-2-(2,5-X2-benzo-yloxy)-4-phenyl-butyl]-N-tert-butyldeca-hydro-iso-quinoline-3-carboxamides (X = H or Cl): compounds with moderate aspartyl protease inhibition activity.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","913","917","10.1107/S2056989017007800","","","1.54184","CuKα","","0.038","0.0375","","","0.0994","0.0998","","","","","","1.051","","","","has coordinates","245840","2020-10-21","18:00:00",""
"2311385","15.6367","0.0015","17.897","0.0017","22.532","0.002","90","","104.502","0.002","90","","6104.7","1","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexakis[μ~3~-1,2-bis(trifluoromethyl)ethene-1,2-dithiolato]-octahedro-hexapalladium(II) benzene 2.5-solvate","","- C39 H15 F36 Pd6 S12 -","- C39 H15 F36 Pd6 S12 -","- C156 H60 F144 Pd24 S48 -","4","1","ZL2703","Moscattini, Joshua; Lough, Alan J.; Fekl, Ulrich","C2-isomer of [Pd(tfd)]6 [tfd is S2C2(CF3)2] as its benzene solvate: a new member of the small but growing class of homoleptic palladium(II) monodi-thio-lenes in the form of hexa-meric cubes.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","957","962","10.1107/S2056989017007897","","","0.71073","MoKα","","0.062","0.0399","","","0.0777","0.0908","","","","","","1.107","","","","has coordinates,has disorder","245841","2020-10-21","18:00:00",""
"2311386","11.837","0.004","23.126","0.007","17.836","0.005","90","","94.165","0.01","90","","4870","3","120","2","120.03","","","","","","","","","8","P 1 21 1","P 2yb","4","","{(R)-N^2^-[(Benzo[h]quinolin-2-yl)methyl]-N^2'^-[(benzo[h]quinolin-2-yl)methylidene]-1,1'-binaphthyl-2,2'-diamine-κ^4^N,N',N'',N'''}(trifluoromethanesulfonato-κO)zinc(II)} trifluoromethanesulfonate dichloromethane 1.5-solvate","","- C51.5 H35 Cl3 F6 N4 O6 S2 Zn -","- C51.5 H35 Cl3 F6 N4 O6 S2 Zn -","- C206 H140 Cl12 F24 N16 O24 S8 Zn4 -","4","2","IM2476","Skokan, Shayna R.; Reeson, Monica M.; Oshin, Kayode D.; Vinokur, Anastasiya I.; Desper, John A.; Levy, Christopher J.","Crystal structure of {(R)-N2-[(benzo[h]quinolin-2-yl)meth-yl]-N2'-[(benzo[h]quinolin-2-yl)methyl-idene]-1,1'-binaphthyl-2,2'-di-amine-κ4N,N',N'',N'''}(trifluoromethane-sulfonato-κO)zinc(II)} trifluoromethane-sulfonate di-chloro-methane 1.5-solvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","949","953","10.1107/S2056989017008027","","","0.71073","MoKα","","0.0488","0.0387","","","0.0862","0.0917","","","","","","1.026","","","","has coordinates,has disorder","245842","2020-10-21","18:00:00",""
"2311387","38.3604","0.0009","13.6382","0.0003","26.3548","0.0006","90","","91.069","0.002","90","","13785.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(N'-{(E)-[(2E)-1,3-diphenylprop-2-en-1-ylidene]amino}-N-ethylcarbamimidothioato-κ^2^N',S)zinc(II)","","- C36 H36 N6 S2 Zn -","- C36 H36 N6 S2 Zn -","- C576 H576 N96 S32 Zn16 -","16","2","HB7684","Tan, Ming Yueh; Crouse, Karen A.; Ravoof, Thahira B. S. A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis(N'-{(E)-[(2E)-1,3-di-phenyl-prop-2-en-1-yl-idene]amino}-N-ethyl-carbamimido-thio-ato-κ2N',S)zinc(II): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1001","1008","10.1107/S2056989017008064","","","0.71073","MoKα","","0.0515","0.0369","","","0.0758","0.0838","","","","","","1.039","","","","has coordinates","245843","2020-10-21","18:00:00",""
"2311388","9.224","0.004","12.083","0.006","13.673","0.007","69.206","0.014","80.361","0.017","69.054","0.014","1329.1","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","catena-Poly[[[aquabis(dimethylformamide-κO)magnesium(II)]-μ~3~-(2,2'-bipyridine-5,5'-dicarboxylato-κ^5^O^2^:O^2'^:N,N':O^5^)-[dichloridoplatinum(II)]] dimethylformamide monosolvate]","","- C21 H29 Cl2 Mg N5 O8 Pt -","- C21 H29 Cl2 Mg N5 O8 Pt -","- C42 H58 Cl4 Mg2 N10 O16 Pt2 -","2","1","VN2129","Lundvall, Fredrik; Tilset, Mats","Crystal structure of catena-poly[[[aqua-bis-(di-methyl-formamide-κO)magnesium(II)]-μ3-(2,2'-bi-pyridine-5,5'-di-carboxyl-ato-κ5O2:O2':N,N':O5)-[di-chlorido-platinum(II)]] di-methyl-formamide monosolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","971","974","10.1107/S2056989017008118","","","0.71073","MoKα","","0.0295","0.0276","","","0.072","0.0738","","","","","","1.086","","","","has coordinates,has disorder","245844","2020-10-21","18:00:00",""
"2311389","13.6185","0.0004","22.6439","0.0018","18.5341","0.0006","90","","90.811","0.003","90","","5714.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[tetrakis(tetrahydrofuran-κO)lithium] bis[μ-2,2',2''-methanetriyltris(4,6-di-tert-butylphenolato)-κ^4^O,O':O',O'']dimagnesiate","","- C118 H186 Li2 Mg2 O14 -","- C118 H186 Li2 Mg2 O14 -","- C236 H372 Li4 Mg4 O28 -","2","0.5","ZS2380","Zhou, Hongyan; Wang, Lei","Crystal structure of bis-[tetra-kis-(tetra-hydro-furan-κO)lithium] bis[μ-2,2',2''-methanetriyltris(4,6-di-tert-butylphenolato)-κ4O,O':O',O'']-dimagnesiate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1026","1028","10.1107/S2056989017008337","","","0.71073","MoKα","","0.094","0.059","","","0.1312","0.1486","","","","","","1.046","","","","has coordinates","245845","2020-10-21","18:00:00",""
"2311390","7.087","0.002","10.446","0.003","6.692","0.0016","90","","116.61","0.02","90","","442.9","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Dichlorido(1,2-phenylenediamine-κ^2^N,N')platinum(II)","","- C6 H8 Cl2 N2 Pt -","- C6 H8 Cl2 N2 Pt -","- C12 H16 Cl4 N4 Pt2 -","2","0.5","WM5396","Konno, Yosuke; Matsushita, Nobuyuki","Crystal structure of di-chlorido-(1,2-phenyl-enedi-amine-κ2N,N')platinum(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1009","1012","10.1107/S2056989017008477","","","0.71075","MoKα","","0.0359","0.0341","","","0.0978","0.0991","","","","","","1.179","","","","has coordinates","245846","2020-10-21","18:00:00",""
"2311391","15.4638","0.0014","16.2069","0.001","17.6205","0.0015","90","","111.213","0.01","90","","4116.8","0.6","297","1","297","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-Oxalato-κ^2^O^1^:O^2^-bis[triphenyl(dimethyl sulfoxide-κO)tin(IV)]","","- C42 H42 O6 S2 Sn2 -","- C42 H42 O6 S2 Sn2 -","- C168 H168 O24 S8 Sn8 -","4","0.5","IM2477","Pouye, Serigne Fallou; Cisse, Ibrahima; Diop, Libasse; Dolmella, Alessandro; Bernès, Sylvain","Crystal structure of μ-oxalato-κ2O1:O2-bis-[(dimethyl sulfoxide-κO)tri-phenyl-tin(IV)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1033","1036","10.1107/S2056989017008519","","","0.71073","MoKα","","0.0984","0.0465","","","0.0747","0.0902","","","","","","1.021","","","","has coordinates,has disorder","245847","2020-10-21","18:00:00",""
"2311392","12.9983","0.0007","15.2709","0.001","15.5153","0.001","90","","90","","90","","3079.7","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dichlorido(1,10-phenanthroline-κ^2^N,N')gold(III) hexafluoridophosphate","","- C12 H8 Au Cl2 F6 N2 P -","- C12 H8 Au Cl2 F6 N2 P -","- C96 H64 Au8 Cl16 F48 N16 P8 -","8","1","WM5398","Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; Corbi, Pedro Paulo","Synthesis and crystal structure of di-chlorido-(1,10-phenanthroline-κ2N,N')gold(III) hexa-fluorido-phosphate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1048","1051","10.1107/S2056989017008763","","","0.71073","MoKα","","0.0273","0.019","","","0.0381","0.0399","","","","","","1.007","","","","has coordinates","245848","2020-10-21","18:00:00",""
"2311393","12.2213","0.0002","42.2455","0.0007","15.5956","0.0003","90","","108.222","0.002","90","","7648.1","0.2","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris(N-{bis[methyl(phenyl)amino]phosphoryl}benzenesulfonamidato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')lanthanum(III)","","- C72 H71 La N11 O9 P3 S3 -","- C72 H71 La N11 O9 P3 S3 -","- C288 H284 La4 N44 O36 P12 S12 -","4","1","","Prytula-Kurkunova, Angelina Yu; Trush, Victor A.; Dyakonenko, Viktoriya V.; Sliva, Tetyana Yu; Amirkhanov, Vladimir M.","Tris(N-{bis-[meth-yl(phen-yl)amino]-phosphor-yl}benzene-sulfonamidato-κ2O,O')(1,10-phenanthroline-κ2N,N')lanthanum(III).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1076","1081","10.1107/S2056989017008970","","","0.71073","MoKα","","0.0652","0.0467","","","0.1104","0.1193","","","","","","1.077","","","","has coordinates,has disorder","245849","2020-10-21","18:00:00",""
"2311394","10.8154","0.0009","9.3243","0.0007","13.3313","0.0011","90","","106.648","0.006","90","","1288.06","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dipotassium tetrathiocyanatomercurate(II)","","- C4 Hg K2 N4 S4 -","- C4 Hg K2 N4 S4 -","- C16 Hg4 K8 N16 S16 -","4","0.5","WM5399","Bandemehr, Jascha; Conrad, Matthias; Kraus, Florian","Redetermination of the crystal structure of K2Hg(SCN)4.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1073","1075","10.1107/S2056989017009148","","","0.71073","MoKα","","0.0347","0.0244","","","0.0499","0.0533","","","","","","1.078","","","","has coordinates","245850","2020-10-21","18:00:00",""
"2311395","9.3022","0.001","28.482","0.003","5.5208","0.0006","90","","90","","90","","1462.7","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1H-1-Benzofuran-2-yl)-2-oxoethyl 2-nitrobenzoate","","- C17 H11 N O6 -","- C17 H11 N O6 -","- C68 H44 N4 O24 -","4","1","QM2116","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates: structural differences and C-H⋯O hydrogen-bonded supra-molecular assemblies.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1087","1091","10.1107/S2056989017009422","","","0.71073","MoKα","","0.049","0.0382","","","0.0797","0.0854","","","","","","1.08","","","","has coordinates","245851","2020-10-21","18:00:00",""
"2311396","5.1839","0.0012","10.853","0.003","12.269","0.003","93.562","0.003","91.167","0.003","98.714","0.003","680.7","0.3","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","2-(1H-1-Benzofuran-2-yl)-2-oxoethyl 2-aminobenzoate","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C34 H26 N2 O8 -","2","1","","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates: structural differences and C-H⋯O hydrogen-bonded supra-molecular assemblies.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1087","1091","10.1107/S2056989017009422","","","0.71073","MoKα","","0.0735","0.0464","","","0.1032","0.1229","","","","","","1.082","","","","has coordinates","245851","2020-10-21","18:00:00",""
"2311397","5.5333","0.0008","11.3212","0.0017","11.5186","0.0018","92.283","0.003","91.536","0.003","99.638","0.003","710.41","0.19","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-(Benzofuran-2-yl)-2-oxoethyl 2-chlorobenzoate","","- C17 H11 Cl O4 -","- C17 H11 Cl O4 -","- C34 H22 Cl2 O8 -","2","1","QM2117","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Steric repulsion and supra-molecular assemblies via a two-dimensional plate by C-H⋯O hydrogen bonds in two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 8","1227","1231","10.1107/S2056989017010556","","","0.71073","MoKα","","0.0611","0.0449","","","0.1286","0.1453","","","","","","1.033","","","","has coordinates","245852","2020-10-21","18:00:00",""
"2311398","7.4094","0.0003","9.7566","0.0004","10.5832","0.0005","83.43","0.001","71.808","0.001","87.265","0.001","721.99","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-(Benzofuran-2-yl)-2-oxoethyl 2-methoxybenzoate","","- C18 H14 O5 -","- C18 H14 O5 -","- C36 H28 O10 -","2","1","QM2117","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Steric repulsion and supra-molecular assemblies via a two-dimensional plate by C-H⋯O hydrogen bonds in two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 8","1227","1231","10.1107/S2056989017010556","","","0.71073","MoKα","","0.0543","0.0451","","","0.115","0.1242","","","","","","1.04","","","","has coordinates","245852","2020-10-21","18:00:00",""
"2311399","8.7837","0.0012","12.091","0.0016","14.0097","0.0019","97.5367","0.0015","105.15","0.0014","109.318","0.0014","1316.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Chlorido(dimethyl sulfoxide-κS)bis[4-(pyridin-2-yl)benzaldehyde-κ^2^C^3^,N]iridium(III) acetonitrile monosolvate","","- C28 H25 Cl Ir N3 O3 S -","- C28 H25 Cl Ir N3 O3 S -","- C56 H50 Cl2 Ir2 N6 O6 S2 -","2","1","WM5400","Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T.","Crystal structure of chlorido-(dimethyl sulfoxide-κS)bis-[4-(pyridin-2-yl)benzaldehyde-κ3C2,N]iridium(III) aceto-nitrile monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1279","1281","10.1107/S2056989017010945","","","0.71073","MoKα","","0.0158","0.0152","","","0.0363","0.0365","","","","","","1.681","","","","has coordinates","245853","2020-10-21","18:00:00",""
"2311400","6.6663","0.0003","10.6256","0.0005","33.3005","0.0017","90","","90","","90","","2358.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pulcherrin J","(4aR,5S,6aR,11aR,11bR)-4a-Hydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-5-yl cinnamate","","- C29 H36 O4 -","- C29 H36 O4 -","- C116 H144 O16 -","4","1","HB7687","Ogbeide, K. Osahon; Mujeeb-Ur-Rehman, ?; Owolabi, J. Bodunde; Falodun, Abiodun; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of pulcherrin J.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1572","1575","10.1107/S2056989017011239","","","1.54178","CuKα","","0.0531","0.0384","","","0.0769","0.0817","","","","","","1.047","","","","has coordinates","245855","2020-10-21","18:00:00",""
"2311401","11.6496","0.0007","18.5016","0.0011","17.1626","0.0009","90","","105.176","0.0016","90","","3570.2","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[N^2^,N^6^-Bis(di-tert-butylphosphanyl)pyridine-2,6-diamine]dibromidomanganese(II)‒[bis(di-tert-butylphosphanyl)({6-[(di-tert-butylphosphanyl)amino]pyridin-2-yl}amino)phosphine oxide]dibromidomanganese(II)‒tetrahydrofuran (0.94/0.06/2)","","- C29 H57 Br2 Mn N3 O2.057 P2 -","- C29 H57.0016 Br2 Mn N3 O2.0569 P2 -","- C116 H228.006 Br8 Mn4 N12 O8.2276 P8 -","4","1","SJ5533","Rotter, Markus; Mastalir, Matthias; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","Crystal structure of the tetra-hydro-furan disolvate of a 94:6 solid solution of [N2,N6-bis-(di-tert-butyl-phosphan-yl)pyridine-2,6-di-amine]-dibromido-manganese(II) and its monophosphine oxide analogue.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1308","1311","10.1107/S2056989017011276","","","0.71073","MoKα","","0.064","0.0394","","","0.0438","0.0453","","","","","","1.92","","","","has coordinates","245856","2020-10-21","18:00:00",""
"2311402","7.6304","0.0003","13.1897","0.0006","9.667","0.0004","90","","104.974","0.0017","90","","939.87","0.07","175","","175","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis(1,3-dimethyl-2,6-dioxo-7H-purin-7-ido-κN^7^)cobalt(II)","","- C14 H22 Co N8 O8 -","- C14 H22 Co N8 O8 -","- C28 H44 Co2 N16 O16 -","2","0.5","","El Hamdani, Hicham; El Amane, Mohammed; Duhayon, Carine","Crystal structure of tetra-aqua-bis-(1,3-dimethyl-2,6-dioxo-7H-purin-7-ido-κN7)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1302","1304","10.1107/S2056989017011379","","","0.71073","MoKα","","0.0211","0.0208","","0.0236","0.023","0.0229","","","","","","1","","","","has coordinates","245857","2020-10-21","18:00:00",""
"2311403","5.5357","0.0016","8.548","0.002","27.026","0.007","90","","90","","90","","1278.8","0.6","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate:","","- C13 H13 F N2 O3 -","- C13 H13 F N2 O3 -","- C52 H52 F4 N8 O12 -","4","1","DS2246","Patel, U. H.; Jotaniya, Chintan; Shah, D. A.; Socha, Bhavesh","Ethyl 2-amino-1-(4-fluoro-phen-yl)-5-oxo-4,5-di-hydro-1H-pyrrole-3-carboxyl-ate: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1336","1340","10.1107/S2056989017011628","","","0.71073","MoKα","","","0.075","","","","0.148","","","","","","1.181","","","","has coordinates","245858","2020-10-21","18:00:00",""
"2311404","20.471","0.0008","5.5578","0.0002","10.791","0.0003","90","","98.122","0.003","90","","1215.42","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ~2~-Adipato-κ^4^O,O':O'',O''')bis[aqua(benzene-1,2-diamine-κ^2^N,N')chloridocadmium]","","- C18 H28 Cd2 Cl2 N4 O6 -","- C18 H28 Cd2 Cl2 N4 O6 -","- C36 H56 Cd4 Cl4 N8 O12 -","2","0.5","HB7697","Rahman, Wannur Sofiasalamah Khairiah A.; Ahmad, J.; Halim, Siti Nadiah Abdul; Jotani, Mukesh M.; Tiekink, Edward R. T.","(μ2-Adipato-κ4O,O':O'',O''')bis-[aqua-(benzene-1,2-di-amine-κ2N,N')-chlorido-cadmium]: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1363","1367","10.1107/S2056989017011677","","","0.71073","MoKα","","0.0355","0.0281","","","0.0605","0.0648","","","","","","1.043","","","","has coordinates","245859","2020-10-21","18:00:00",""
"2311405","23.4004","0.0005","15.1685","0.0004","9.2353","0.0003","90","","90","","90","","3278.06","0.15","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aquabis(nicotinamide-κN^1^)bis(2,4,6-trimethylbenzoato-κO)zinc","","- C32 H36 N4 O7 Zn -","- C32 H36 N4 O7 Zn -","- C128 H144 N16 O28 Zn4 -","4","0.5","IS5478","Hökelek, Tuncer; Aşkın, Gülçin Şefiye; Özkaya, Safiye; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κN1)bis-(2,4,6-tri-methyl-benzoato-κO)zinc.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1348","1352","10.1107/S2056989017011690","","","0.71073","MoKα","","0.0575","0.0446","","","0.1177","0.1272","","","","","","1.082","","","","has coordinates","245860","2020-10-21","18:00:00",""
"2311406","29.5091","0.0015","6.227","0.0004","20.2703","0.001","90","","91.13","0.004","90","","3724","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-2,6-Di-tert-butyl-4-{[2-(pyridin-2-yl)hydrazin-1-ylidene)methyl}phenol","","- C20 H27 N3 O -","- C20 H27 N3 O -","- C160 H216 N24 O8 -","8","1","HG5492","Faizi, Md Serajul Haque; Haque, Ashanul; Dege, Mustafa; Dege, Necmi; Malysheva, Maria L.","Crystal structure and DFT study of (E)-2,6-di-tert-butyl-4-{[2-(pyridin-2-yl)hydrazin-1-yl-idene)meth-yl}phenol.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1449","1452","10.1107/S2056989017011707","","","0.71073","MoKα","","0.1935","0.101","","","0.268","0.3213","","","","","","0.961","","","","has coordinates","245861","2020-10-21","18:00:00",""
"2311407","6.897","0.002","7.05","0.001","9.853","0.003","101.042","0.007","109.559","0.01","94.196","0.006","438.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[aquachloridomanganese(II)]-di-μ-chlorido-[aquachloridomanganese(II)]-bis(μ-pyridine N-oxide)]","","- C5 H7 Cl2 Mn N O2 -","- C5 H7 Cl2 Mn N O2 -","- C10 H14 Cl4 Mn2 N2 O4 -","2","1","ZL2709","Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford","Manganese(II) chloride complexes with pyridine N-oxide (PNO) derivatives and their solid-state structures.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1434","1438","10.1107/S2056989017012038","","","0.71073","MoKα","","0.037","0.0311","","","0.0729","0.0797","","","","","","1.136","","","","has coordinates","245862","2020-10-21","18:00:00",""
"2311408","6.862","0.002","7.491","0.002","18.047","0.005","90","","90","","90","","927.7","0.4","173","2","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aquachloridomanganese(II)]-di-μ-chlorido-[aquachloridomanganese(II)]-bis(μ-2-methylpyridine N-oxide)]","","- C6 H9 Cl2 Mn N O2 -","- C6 H9 Cl2 Mn N O2 -","- C24 H36 Cl8 Mn4 N4 O8 -","4","1","","Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford","Manganese(II) chloride complexes with pyridine N-oxide (PNO) derivatives and their solid-state structures.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1434","1438","10.1107/S2056989017012038","","","0.71075","MoKα","","0.0631","0.0511","","","0.094","0.1","","","","","","1.119","","","","has coordinates,has disorder","245862","2020-10-21","18:00:00",""
"2311409","7.902","0.007","8.026","0.007","9.893","0.008","98.033","0.001","99.272","0.007","113.634","0.011","552.6","0.8","173","2","173","","","","","","","","","6","P -1","-P 1","2","","Bis(μ-3-methylpyridine N-oxide)bis[diaquadichloridomanganese(II)]","","- C12 H22 Cl4 Mn2 N2 O6 -","- C12 H22 Cl4 Mn2 N2 O6 -","- C12 H22 Cl4 Mn2 N2 O6 -","1","0.5","","Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford","Manganese(II) chloride complexes with pyridine N-oxide (PNO) derivatives and their solid-state structures.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1434","1438","10.1107/S2056989017012038","","","0.71073","MoKα","","0.033","0.0313","","","0.0852","0.0871","","","","","","1.07","","","","has coordinates","245862","2020-10-21","18:00:00",""
"2311410","8.073","0.0004","11.0143","0.0004","23.0453","0.0007","87.54","0.003","89.175","0.003","87.729","0.003","2045.49","0.14","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","Bis(3,5-dimethoxy-2-{[2-(pyridin-2-yl)ethylimino-κN]methyl}phenolato-κO)bis(dimethyl sulfoxide)manganese(III) perchlorate methanol 0.774-solvate","","- C36.77 H49.1 Cl Mn N4 O12.77 S2 -","- C36.774 H49.096 Cl Mn N4 O12.774 S2 -","- C73.548 H98.192 Cl2 Mn2 N8 O25.548 S4 -","2","1","IM2481","Egekenze, Rita; Gultneh, Yilma; Butcher, Ray J.","Bis(3,5-dimeth-oxy-2-{[2-(pyridin-2-yl)ethyl-imino-κN]-meth-yl}phenolato-κO)bis-(dimethyl sulfoxide)-manganese(III) perchlorate methanol 0.774-solvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1479","1482","10.1107/S205698901701204X","","","0.71073","MoKα","","0.0782","0.0603","","","0.1387","0.1487","","","","","","1.103","","","","has coordinates,has disorder","245863","2020-10-21","18:00:00",""
"2311411","7.8273","0.001","6.4466","0.001","6.1304","0.0008","90","","90","","90","","309.34","0.07","173","2","173","2","","","","","","","","3","P m n 21","P 2ac -2","31","","Lithium tetrachloridoaluminate","","- Al Cl4 Li -","- Al Cl4 Li -","- Al2 Cl8 Li2 -","2","0.5","WM5410","Prömper, Stephan W; Frank, Walter","Lithium tetra-chlorido-aluminate, LiAlCl4: a new polymorph (oP12, Pmn21) with Li+ in tetra-hedral inter-stices.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1426","1429","10.1107/S205698901701235X","","","0.71073","MoKα","","0.0309","0.0282","","","0.074","0.0745","","","","","","1.207","","","","has coordinates","245864","2020-10-21","18:00:00",""
"2311412","14.71","0.0011","10.7163","0.0006","14.9312","0.0012","90","","91.828","0.01","90","","2352.5","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro-tetrakis[μ-4-(ammoniomethyl)cyclohexane-1-carboxylato-\ O,O']dicopper(II) dichloride hexahydrate","","- C32 H72 Cl4 Cu2 N4 O14 -","- C32 H72 Cl4 Cu2 N4 O14 -","- C64 H144 Cl8 Cu4 N8 O28 -","2","0.5","","Altaf, Muhammad; Stoeckli-Evans, Helen","A copper(II) paddle-wheel structure of tranexamic acid: di-chloro-tetra-kis-[μ-4-(ammonio-meth-yl)cyclo-hexane-1-carboxyl-ato-O,O']dicopper(II) dichloride hexa-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1421","1425","10.1107/S2056989017012543","","","0.71073","MoKα","","0.0907","0.0666","","","0.1846","0.1964","","","","","","1.019","","","","has coordinates","245865","2020-10-21","18:00:00",""
"2311413","10.9097","0.0003","12.9481","0.0003","15.4066","0.0004","97.78","0.002","99.924","0.002","99.003","0.002","2087.68","0.1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","Bis(N,N'-dicyclohexylamidinatocarboranate)tin(II)","","- C30 H66 B20 N4 Sn -","- C30 H66 B20 N4 Sn -","- C60 H132 B40 N8 Sn2 -","2","1","ZL2714","Harmgarth, Nicole; Liebing, Phil; Hillebrand, Philipp; Busse, Sabine; Edelmann, Frank T.","Synthesis and crystal structures of two new tin bis-(carboranylamidinate) complexes.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1443","1448","10.1107/S2056989017012671","","","0.71073","MoKα","","0.0256","0.022","","","0.0565","0.0577","","","","","","1.049","","","","has coordinates","245866","2020-10-21","18:00:00",""
"2311414","11.3063","0.0004","13.4631","0.0004","13.7953","0.0004","97.078","0.002","106.572","0.002","113.377","0.002","1779.52","0.11","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","Bis(N,N'-diisopropylamidinatocarboranate)chloridotin(IV)","","- C18 H49 B20 Cl N4 Sn -","- C18 H49 B20 Cl N4 Sn -","- C36 H98 B40 Cl2 N8 Sn2 -","2","1","","Harmgarth, Nicole; Liebing, Phil; Hillebrand, Philipp; Busse, Sabine; Edelmann, Frank T.","Synthesis and crystal structures of two new tin bis-(carboranylamidinate) complexes.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1443","1448","10.1107/S2056989017012671","","","0.71073","MoKα","","0.0526","0.0394","","","0.087","0.0917","","","","","","1.015","","","","has coordinates","245866","2020-10-21","18:00:00",""
"2311415","11.69","0.004","8.33","0.002","16.16","0.005","90","","90.31","0.02","90","","1573.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Azaniumyl-2,2,6,6-tétraméthylpipéridin-1-ium diperchlorate","","- C9 H22 Cl2 N2 O8 -","- C9 H22 Cl2 N2 O8 -","- C36 H88 Cl8 N8 O32 -","4","1","VM2204","Chebbi, Hammouda; Boumakhla, Abdessalem; Zid, Mohamed Faouzi; Guesmi, Abderrahmen","Structure cristalline et analyses thermique et de surface Hirshfeld du diperchlorate de 4-aza-niumyl-2,2,6,6-tétraméthylpipéridin-1-ium.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1453","1457","10.1107/S2056989017012695","","","0.71073","MoKα","","0.0901","0.0606","","","0.1568","0.1759","","","","","","1.038","","","","has coordinates,has disorder","245867","2020-10-21","18:00:00",""
"2311416","8.829","0.005","11.68","0.007","7.727","0.005","90","","113.475","0.01","90","","730.9","0.8","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","EBTB","2-(Benzenecarbothioyloxy)ethyl benzenecarbothioate","","- C16 H14 O2 S2 -","- C16 H14 O2 S2 -","- C32 H28 O4 S4 -","2","0.5","","Tanaka, Syuto; Masu, Hyuma; Sasanuma, Yuji","Crystal structures of 2-(benzene-carbo-thio-yloxy)ethyl benzene-carbo-thio-ate and 2-(benzene-carbo-thio-yloxy)ethyl benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1430","1433","10.1107/S2056989017012701","","","0.71073","MoKα","","0.0318","0.0291","","","0.0777","0.0802","","","","","","1.029","","","","has coordinates","245868","2020-10-21","18:00:00",""
"2311417","8.8","0.005","11.403","0.006","7.506","0.004","90","","113.831","0.006","90","","689","0.6","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","EMTB","2-(Benzenecarbothioyloxy)ethyl benzoate","","- C16 H14 O3 S -","- C16 H14 O3 S -","- C32 H28 O6 S2 -","2","0.5","","Tanaka, Syuto; Masu, Hyuma; Sasanuma, Yuji","Crystal structures of 2-(benzene-carbo-thio-yloxy)ethyl benzene-carbo-thio-ate and 2-(benzene-carbo-thio-yloxy)ethyl benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1430","1433","10.1107/S2056989017012701","","","0.71073","MoKα","","0.0452","0.0382","","","0.0855","0.0897","","","","","","1.079","","","","has coordinates,has disorder","245868","2020-10-21","18:00:00",""
"2311418","11.499","0.004","8.571","0.0019","25.945","0.007","90","","95.515","0.008","90","","2545.2","1.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[N-2-hydroxyethyl,N-methyldithiocarbamato-κ^2^S,\ S)'-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-\ κN^1^)zinc(II)","","- C20 H26 N6 O2 S4 Zn -","- C20 H26 N6 O2 S4 Zn -","- C80 H104 N24 O8 S16 Zn4 -","4","1","HB7702","Broker, Grant A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis[N-2-hy-droxy-ethyl,N-methyl-dithio-carbamato-κ2S,S)'-4-{[(pyridin-4-yl-methyl-idene)hydrazinyl-idene}meth-yl]pyridine-κN1)zinc(II): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1458","1464","10.1107/S2056989017012725","","","0.71069","MoKα","","0.0543","0.0497","","","0.1287","0.1322","","","","","","1.126","","","","has coordinates","245869","2020-10-21","18:00:00",""
"2311419","8.3993","0.0003","9.103","0.0003","15.6862","0.0005","92.116","0.002","101.113","0.002","112.81","0.002","1076.53","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","flucetosulfuron","1-[3-({[(4,6-Dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)pyridin-2-yl]-\ 2-fluoropropyl 2-methoxyacetate","","- C18 H22 F N5 O8 S -","- C18 H22 F N5 O8 S -","- C36 H44 F2 N10 O16 S2 -","2","1","","Park, Hyunjin; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of flucetosulfuron.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1439","1442","10.1107/S2056989017012737","","","0.71073","MoKα","","0.0506","0.0394","","","0.0934","0.0986","","","","","","1.062","","","","has coordinates","245870","2020-10-21","18:00:00",""
"2311420","8.1358","0.0002","23.8364","0.0007","10.5983","0.0003","90","","110.21","0.001","90","","1928.77","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzenesulfonyl-2-methyl-3-(4-nitrobenzoyl)-2,3-dihydro-1H-indole","","- C22 H16 N2 O5 S -","- C22 H16 N2 O5 S -","- C88 H64 N8 O20 S4 -","4","1","FF2151","Dhanalakshmi, G.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.; Aravindhan, S.","Crystal structures of 1-benzene-sulfon-yl-2-methyl-3-(4-nitro-benzoyl)-2,3-di-hydro-1H-indole and 1-benzene-sulfon-yl-2-methyl-3-[(thio-phen-2-yl)carbon-yl]-2,3-di-hydro-1H-indole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1555","1559","10.1107/S2056989017012804","","","1.54178","CuKα","","0.0472","0.0422","","","0.1139","0.1177","","","","","","1.065","","","","has coordinates","245871","2020-10-21","18:00:00",""
"2311421","8.93","0.0002","10.8141","0.0003","18.6398","0.0005","90","","90","","90","","1800.04","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Benzenesulfonyl-2-methyl-3-[(thiophen-2-yl)carbonyl]-2,3-dihydro-1H-indole","","- C20 H15 N O3 S2 -","- C20 H15 N O3 S2 -","- C80 H60 N4 O12 S8 -","4","1","FF2151","Dhanalakshmi, G.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.; Aravindhan, S.","Crystal structures of 1-benzene-sulfon-yl-2-methyl-3-(4-nitro-benzoyl)-2,3-di-hydro-1H-indole and 1-benzene-sulfon-yl-2-methyl-3-[(thio-phen-2-yl)carbon-yl]-2,3-di-hydro-1H-indole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1555","1559","10.1107/S2056989017012804","","","1.54178","CuKα","","0.0422","0.0394","","","0.1038","0.1064","","","","","","1.061","","","","has coordinates","245871","2020-10-21","18:00:00",""
"2311422","7.6131","0.0005","11.7216","0.0007","27.7076","0.0017","90","","90","","90","","2472.6","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6aR,6 bR,8aS,9aR,12aR,14bR)-4,4,6a,6 b,8a,14b-Hexamethyl-12-methyleneicosahydro-3H-phenanthro[1',2':6,7]indeno[2,1-b]furan-3,11(2H)-dione","","- C30 H44 O3 -","- C30 H44 O3 -","- C120 H176 O12 -","4","1","LH4023","Herrera-España, Angel D; Mena-Rejón, Gonzalo J; Hernández-Ortega, Simón; Quijano, Leovigildo; Mirón-López, Gumersindo","Crystal structure of ochraceolide A isolated from Elaeodendron trichotomum (Turcz.) Lundell.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1475","1478","10.1107/S2056989017012816","","","1.54178","CuKα","","0.0668","0.0608","","","0.1565","0.1639","","","","","","1.088","","","","has coordinates","245872","2020-10-21","18:00:00",""
"2311423","9.8815","0.0006","14.0448","0.0009","21.2332","0.0013","90","","99.924","0.002","90","","2902.7","0.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{O-Ethyl N-(4-nitrophenyl)thiocarbamato-κS}(tri-4-tolylphosphane-κP)gold(I)","","- C30 H30 Au N2 O3 P S -","- C30 H30 Au N2 O3 P S -","- C120 H120 Au4 N8 O12 P4 S4 -","4","1","HB7703","Kuan, Fong Sheen; Jotani, Mukesh M.; Tiekink, Edward R. T.","New monoclinic form of {O-Ethyl N-(4-nitro-phen-yl)thio-carbamato-κS}(tri-4-tolyl-phosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1465","1471","10.1107/S2056989017012865","","","0.71069","MoKα","","0.0429","0.0307","","","0.0724","0.078","","","","","","0.947","","","","has coordinates","245873","2020-10-21","18:00:00",""
"2311424","9.2545","0.0009","21.7246","0.0019","9.4531","0.0009","90","","94.763","0.009","90","","1894","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N-Dimethyl-[2-(2,2-diphenyl)-2-prop-2-ynyloxyacetoxy]ethylamine","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","BQ2403","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Kumar, S. Madan; Byrappa, Kullaiah; Glidewell, Christopher","Crystal structures of N,N-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yloxy)acet-oxy)ethyl-amine and N,N-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yl‒oxy)acet-oxy)ethyl-ammonium 2,4,6-tri-nitro-phenolate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1488","1492","10.1107/S2056989017012968","","","0.71073","MoKα","","0.1288","0.064","","","0.152","0.1945","","","","","","1.038","","","","has coordinates,has disorder","245874","2020-10-21","18:00:00",""
"2311425","7.5208","0.0003","8.3919","0.0003","22.2282","0.0007","85.099","0.003","84.294","0.003","75.117","0.003","1346.5","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N,N-Dimethyl-[2-(2,2-diphenyl)-2-prop-2-ynyloxy\ acetoxy]ethylammonium 2,4,6-trinitrophenolate","","- C27 H26 N4 O10 -","- C27 H26 N4 O10 -","- C54 H52 N8 O20 -","2","1","BQ2403","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Kumar, S. Madan; Byrappa, Kullaiah; Glidewell, Christopher","Crystal structures of N,N-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yloxy)acet-oxy)ethyl-amine and N,N-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yl‒oxy)acet-oxy)ethyl-ammonium 2,4,6-tri-nitro-phenolate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1488","1492","10.1107/S2056989017012968","","","0.71073","MoKα","","0.0863","0.0529","","","0.1158","0.1359","","","","","","1.048","","","","has coordinates,has disorder","245874","2020-10-21","18:00:00",""
"2311426","7.4849","0.0002","16.2063","0.0004","20.0959","0.0007","90","","90","","90","","2437.68","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate","2-Methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate","","- C26 H25 N O8 -","- C26 H25 N O8 -","- C104 H100 N4 O32 -","4","1","ZS2388","Sivakumar, P.; Israel, S.; Chakkaravarthi, G.","Crystal structures of 2-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate and bis-[4-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate] penta-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1483","1487","10.1107/S2056989017012981","","","0.71073","MoKα","","0.1088","0.0526","","","0.104","0.1237","","","","","","1.013","","","","has coordinates","245875","2020-10-21","18:00:00",""
"2311427","7.5106","0.0002","10.0155","0.0003","18.5203","0.0005","75.646","0.002","88.438","0.002","86.344","0.002","1346.81","0.07","296","2","296","2","","","","","","","","4","P 1","P 1","1","Bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate","Bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate","","- C26 H30 N O10.5 -","- C26 H30 N O10.5 -","- C52 H60 N2 O21 -","2","2","ZS2388","Sivakumar, P.; Israel, S.; Chakkaravarthi, G.","Crystal structures of 2-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate and bis-[4-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate] penta-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1483","1487","10.1107/S2056989017012981","","","0.71073","MoKα","","0.0737","0.0436","","","0.106","0.1211","","","","","","1.023","","","","has coordinates","279947","2022-12-20","10:58:45",""
"2311428","8.726","0.0007","15.236","0.003","8.6642","0.0007","90","","98.046","0.008","90","","1140.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","α-Aminomethylidene-2,3-pentamethylenepyrido[2,3-d]pyrimidin-4-one","(E)-11-(Aminomethylene)-8,9,10,11-tetrahydropyrido[2',3':4,5]pyrimido[1,2-a]azepin-5(7H)-one","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","1","XU5905","Khodjaniyazov, Khamid U.; Makhmudov, Utkir S.; Turgunov, Kambarali K.; Elmuradov, Burkhon Z.","Unusual formation of (E)-11-(amino-methyl-ene)-8,9,10,11-tetra-hydro-pyrido[2',3':4,5]pyrimido[1,2-a]azepin-5(7H)-one and its crystal structure.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1497","1500","10.1107/S2056989017013093","","","1.54184","CuKα","","0.0865","0.0497","","","0.1154","0.1413","","","","","","1.038","","","","has coordinates","245876","2020-10-21","18:00:00",""
"2311429","22.5649","0.0016","12.6823","0.0009","14.9051","0.0011","90","","129.699","0.003","90","","3281.9","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","fipronil","5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethane)sulfinyl]-1H-pyrazole-3-carbonitrile","","- C12 H4 Cl2 F6 N4 O S -","- C12 H4 Cl2 F6 N4 O S -","- C96 H32 Cl16 F48 N32 O8 S8 -","8","1","","Park, Hyunjin; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of fipronil.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1472","1474","10.1107/S205698901701310X","","","0.71073","MoKα","","0.0796","0.0483","","","0.1055","0.1202","","","","","","1.032","","","","has coordinates,has disorder","245877","2020-10-21","18:00:00",""
"2311430","7.597","0.0007","11.6665","0.0012","7.6754","0.0008","90","","114.2","0.003","90","","620.49","0.11","295","","295","","","","","","","","","4","P 1 c 1","P -2yc","7","","4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C26 H28 N4 O4 -","2","1","SU5390","Fábry, Jan","4-Amino-benzoic acid 4-methyl-pyridine/4-methyl-pyridinium 4-amino-benzoate 0.58/0.42: a redetermination from the original data.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1508","1512","10.1107/S2056989017013226","","","0.71073","MoKα","","0.0712","0.0307","","","0.056","0.0668","","","","","","1.29","","","","has coordinates","245878","2020-10-21","18:00:00",""
"2311431","5.9168","0.0003","28.3733","0.0012","21.0782","0.0011","90","","97.836","0.005","90","","3505.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Benzhydryloxy)-1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidinium 3,5-dinitrobenzoate","","- C39 H43 N3 O8 -","- C39 H43 N3 O8 -","- C156 H172 N12 O32 -","4","1","SU5391","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Kumar, S. Madan; Glidewell, Christopher","Crystal structure of ebastinium 3,5-di-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1513","1516","10.1107/S205698901701324X","","","0.71073","MoKα","","0.1127","0.0651","","","0.1465","0.1794","","","","","","1.047","","","","has coordinates,has disorder","245879","2020-10-21","18:00:00",""
"2311432","8.2228","0.0009","18.1289","0.0019","9.945","0.001","90","","106.612","0.003","90","","1420.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-N-(piperidine-1-carbonothioyl)benzamide","","- C14 H18 N2 O2 S -","- C14 H18 N2 O2 S -","- C56 H72 N8 O8 S4 -","4","1","","Suhud, Khairi; Hasbullah, Siti Aishah; Ahmad, Musa; Heng, Lee Yook; Kassim, Mohammad B.","Crystal structure of 4-meth-oxy-N-(piperidine-1-carbono-thio-yl)benzamide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1530","1533","10.1107/S2056989017013317","","","0.71073","MoKα","","0.1009","0.0813","","","0.2239","0.2507","","","","","","1.027","","","","has coordinates","245880","2020-10-21","18:00:00",""
"2311433","3.9464","0.0002","11.5015","0.0005","19.297","0.0009","90","","90","","90","","875.88","0.07","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Di(thiophen-3-yl) ketone","Bis(thiophen-3-yl)methanone","","- C9 H6 O S2 -","- C9 H6 O S2 -","- C36 H24 O4 S8 -","4","0.5","QM2119","Hübscher, Jörg; Augustin, André U; Seichter, Wilhelm; Weber, Edwin","Crystal structure of a new polymorph of di(thio-phen-3-yl) ketone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1560","1562","10.1107/S2056989017013342","","","0.71073","MoKα","","0.0744","0.0472","","","0.1264","0.1608","","","","","","1.129","","","","has coordinates","245881","2020-10-21","18:00:00",""
"2311434","22.2362","0.0007","6.7922","0.0018","18.9098","0.0005","90","","103.989","0.003","90","","2771.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-2,6-Dibromo-4-{2-[1-(1H,1H,2H,2H-perfluorooctyl)pyridinium-4-yl]ethenyl}phenolate methanol disolvate","","- C23 H20 Br2 F13 N O3 -","- C23 H20 Br2 F13 N O3 -","- C92 H80 Br8 F52 N4 O12 -","4","1","LH5850","Fliri, Lukas; Partl, Gabriel; Gelbrich, Thomas; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","(E)-2,6-Di-bromo-4-{2-[1-(1H,1H,2H,2H-perfluoro-oct-yl)pyridinium-4-yl]ethen-yl}phenolate methanol disolvate, a fluoro-ponytailed solvatochromic dye.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1526","1529","10.1107/S2056989017013378","","","1.54184","CuKα","","0.0556","0.0401","","","0.0948","0.1059","","","","","","1.048","","","","has coordinates,has disorder","245882","2020-10-21","18:00:00",""
"2311435","11.42069","0.00019","7.23911","0.00012","21.699","0.0003","90","","103.154","0.0016","90","","1746.91","0.05","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Aqua[aqua/chlorido(0.49/0.51)](2-{[6-(dimethylamino)pyrimidin-4-yl]sulfanyl}pyrimidine-4,6-diamine)copper(II) 0.49-chloride 1.51-hydrate","","- C10 H19 Cl2 Cu N7 O3 S -","- C10 H19 Cl2 Cu N7 O3 S -","- C40 H76 Cl8 Cu4 N28 O12 S4 -","4","1","ZL2715","Moyaert, Tristen E.; Paul, Christina; Chen, Weibin; Sarjeant, Amy A.; Dawe, Louise N.","Aqua-chlorido-(2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine)-copper(II) chloride hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1534","1538","10.1107/S205698901701338X","","","1.54178","CuKα","","0.0386","0.0297","","","0.0742","0.079","","","","","","1.04","","","","has coordinates,has disorder","245883","2020-10-21","18:00:00",""
"2311436","9.899","0.0013","10.103","0.0016","28.961","0.006","90","","90","","90","","2896.4","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9α,11α-Epoxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-diacetate","","- C31 H48 O6 -","- C31 H48 O6 -","- C124 H192 O24 -","4","1","RZ5221","Piccialli, Vincenzo; Tuzi, Angela; Centore, Roberto","Crystal structure of an ep-oxy-sterol: 9α,11α-ep-oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di-acetate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1603","1606","10.1107/S2056989017013391","","","0.71073","MoKα","","0.1117","0.0577","","","0.1041","0.1212","","","","","","1.022","","","","has coordinates,has disorder","245884","2020-10-21","18:00:00",""
"2311437","7.9888","0.0003","12.7596","0.0006","13.2311","0.0005","111.037","0.001","104.075","0.001","99.628","0.002","1171.76","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","{[1'-(Diphenylphosphino)ferrocenyl]methyl}dimethylammonium chloride monohydrate","","- C25 H29 Cl Fe N O P -","- C25 H29 Cl Fe N O P -","- C50 H58 Cl2 Fe2 N2 O2 P2 -","2","1","IM2484","Zábranský, Martin; Štěpnička, Petr","Crystal structure of {[1'-(di-phenyl-phosphino)ferrocen-yl]meth-yl}di-methyl-ammonium chloride monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1539","1541","10.1107/S2056989017013408","","","0.71073","MoKα","","0.0331","0.0281","","","0.071","0.0735","","","","","","1.057","","","","has coordinates","245885","2020-10-21","18:00:00",""
"2311438","8.2456","0.001","13.7471","0.0017","9.6878","0.0012","90","","92.643","0.004","90","","1097","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethane","","- C6 H10 N8 S2 -","- C6 H10 N8 S2 -","- C24 H40 N32 S8 -","4","1","","Argibay-Otero, Saray; Gómez-Paz, Olaya; Carballo, Rosa","A monoclinic polymorph of 1,2-bis-[(1-methyl-1H-tetra-zol-5-yl)sulfan-yl]ethane (BMTTE).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1523","1525","10.1107/S205698901701341X","","","0.71073","MoKα","","0.0232","0.0222","","","0.0565","0.0569","","","","","","1.075","","","","has coordinates","245886","2020-10-21","18:00:00",""
"2311439","12.8997","0.0004","7.5361","0.0003","20.9747","0.0007","90","","102.99","0.0006","90","","1986.84","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[silver(I)-μ-N-(pyridin-3-ylmethyl)pyridine-3-amine-κ^2^N:N'] hexafluoridophosphate acetonitrile disolvate]","","- C15 H17 Ag F6 N5 P -","- C15 H17 Ag F6 N5 P -","- C60 H68 Ag4 F24 N20 P4 -","4","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","Crystal structure of an AgI inter-calation compound: catena-poly[[silver(I)-μ-N-(pyridin-3-ylmeth-yl)pyridin-3-amine-κ2N:N'] hexa-fluorido-phosphate aceto-nitrile disolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1542","1545","10.1107/S2056989017013421","","","0.71073","MoKα","","0.0431","0.0309","","","0.0707","0.0807","","","","","","1.096","","","","has coordinates,has disorder","245887","2020-10-21","18:00:00",""
"2311440","7.0528","0.0014","13.798","0.003","7.4792","0.0015","90","","93.02","0.03","90","","726.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium dihydrogen arsenate","","- As H2 Na O4 -","- As H2 Na O4 -","- As8 H16 Na8 O32 -","8","2","HB7706","Ring, Joseph; Lindenthal, Lorenz; Weil, Matthias; Stöger, Berthold","Crystal structure of sodium di-hydrogen arsenate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1520","1522","10.1107/S2056989017013470","","","0.71073","MoKα","","0.0571","0.0298","","","0.053","0.0588","","","","","","1.035","","","","has coordinates","245888","2020-10-21","18:00:00",""
"2311441","7.5235","0.0013","11.717","0.002","13.644","0.002","66.694","0.004","78.757","0.004","81.374","0.004","1079.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","fac-Tricarbonylchloridobis(4-hydroxypyridine)rhenium(I)‒\ pyridin-4(1H)-one (1/1)","","- C18 H15 Cl N3 O6 Re -","- C18 H15 Cl N3 O6 Re -","- C36 H30 Cl2 N6 O12 Re2 -","2","1","ZL2716","Argibay-Otero, Saray; Carballo, Rosa; Vázquez-López, Ezequiel M","Crystal structure of fac-tri-carbonyl-chlorido-bis-(4-hy-droxy-pyridine)-rhenium(I)-pyridin-4(1H)-one (1/1).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1551","1554","10.1107/S2056989017013512","","","0.71073","MoKα","","0.0303","0.0288","","","0.0755","0.0766","","","","","","1.347","","","","has coordinates","245889","2020-10-21","18:00:00",""
"2311442","11.9402","0.0007","3.7005","0.0002","21.7919","0.0013","90","","121.278","0.002","90","","822.92","0.08","120","1","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","bis(2-pyridone) chloranilic acid","Bis[pyridin-2(1H)-one] 2,5-dichloro-3,6-dihydroxy-1,4-bebzoquinone","","- C16 H12 Cl2 N2 O6 -","- C16 H12 Cl2 N2 O6 -","- C32 H24 Cl4 N4 O12 -","2","0.5","LH5855","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three hydrogen-bonded 1:2 compounds of chloranilic acid with 2-pyridone, 3-hy-droxy-pyridine and 4-hyroxypyridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1546","1550","10.1107/S2056989017013536","","","0.71075","MoKα","","0.0278","0.0271","","","0.0757","0.0763","","","","","","1.056","","","","has coordinates","245890","2020-10-21","18:00:00",""
"2311443","8.3659","0.0006","8.5492","0.0006","11.7087","0.0008","90","","106.968","0.003","90","","800.97","0.1","120","1","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-hyroxypyridinium) chloranilate","Bis(3-hyroxypyridinium) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate","","- C16 H12 Cl2 N2 O6 -","- C16 H12 Cl2 N2 O6 -","- C32 H24 Cl4 N4 O12 -","2","0.5","LH5855","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three hydrogen-bonded 1:2 compounds of chloranilic acid with 2-pyridone, 3-hy-droxy-pyridine and 4-hyroxypyridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1546","1550","10.1107/S2056989017013536","","","0.71075","MoKα","","0.0294","0.0275","","","0.0738","0.0751","","","","","","1.072","","","","has coordinates","245890","2020-10-21","18:00:00",""
"2311444","5.49136","0.00013","8.2195","0.0004","18.1382","0.0009","102.177","0.003","93.952","0.003","95.316","0.004","793.53","0.06","120","1","120","2","","","","","","","","5","P -1","-P 1","2","bis(4-hyroxypyridinium) chloranilate","Bis(4-hyroxypyridinium) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate","","- C16 H12 Cl2 N2 O6 -","- C16 H12 Cl2 N2 O6 -","- C32 H24 Cl4 N4 O12 -","2","1","LH5855","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three hydrogen-bonded 1:2 compounds of chloranilic acid with 2-pyridone, 3-hy-droxy-pyridine and 4-hyroxypyridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1546","1550","10.1107/S2056989017013536","","","0.71075","MoKα","","0.0399","0.0304","","","0.077","0.0798","","","","","","1.071","","","","has coordinates","245890","2020-10-21","18:00:00",""
"2311445","8.34","0.002","10.657","0.002","9.197","0.002","90","","109.37","0.03","90","","771.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium indium bis(hydrogen arsenate)","Potassium indium bis[hydrogen arsenate(V)]","","- As2 H2 In K O8 -","- As2 H2 In K O8 -","- As8 H8 In4 K4 O32 -","4","0.5","PJ2047","Schwendtner, Karolina; Kolitsch, Uwe","MIn(HAsO4)2 (M = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1580","1586","10.1107/S205698901701355X","","","0.71073","MoKα","","0.0227","0.0194","","","0.0452","0.046","","","","","","1.094","","","","has coordinates","245891","2020-10-21","18:00:00",""
"2311446","8.512","0.001","8.512","0.001","56.434","0.011","90","","90","","120","","3541.1","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","rubidium indium bis(hydrogen arsenate)","Rubidium indium bis[hydrogen arsenate(V)]","","- As2 H2 In O8 Rb -","- As2 H2 In O8 Rb0.999733 -","- As36 H36 In18 O144 Rb17.9952 -","18","0.5","","Schwendtner, Karolina; Kolitsch, Uwe","MIn(HAsO4)2 (M = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1580","1586","10.1107/S205698901701355X","","","0.71073","MoKα","","0.0251","0.0184","","","0.039","0.041","","","","","","1.116","","","","has coordinates","245891","2020-10-21","18:00:00",""
"2311447","8.629","0.001","8.629","0.001","56.986","0.011","90","","90","","120","","3674.7","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","caesium indium bis(hydrogen arsenate)","Caesium indium bis[hydrogen arsenate(V)]","","- As2 Cs H2 In O8 -","- As2 Cs H2 In O8 -","- As36 Cs18 H36 In18 O144 -","18","0.5","","Schwendtner, Karolina; Kolitsch, Uwe","MIn(HAsO4)2 (M = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1580","1586","10.1107/S205698901701355X","","","0.71073","MoKα","","0.0299","0.0217","","","0.0488","0.052","","","","","","1.073","","","","has coordinates","245891","2020-10-21","18:00:00",""
"2311448","8.2959","0.0003","10.3169","0.0004","27.7884","0.0009","92.969","0.001","98.241","0.001","109.62","0.001","2204.36","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Acetonitrile-κN)aqua[N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine-κ^4^N,N',N'',N''']zinc(II) perchlorate","","- C16 H23 Cl2 N5 O9 Zn -","- C16 H23 Cl2 N5 O9 Zn -","- C64 H92 Cl8 N20 O36 Zn4 -","4","2","IM2479","Okeke, Ugochukwu; Gultneh, Yilma; Butcher, Ray J.","(Aceto-nitrile-κN)aqua-[N,N'-bis-(pyridin-2-yl-methyl)ethane-1,2-di-amine-κ4N,N',N'',N''']zinc(II) perchlorate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1568","1571","10.1107/S2056989017013603","","","0.71073","MoKα","","0.0535","0.0415","","","0.1022","0.1073","","","","","","1.053","","","","has coordinates,has disorder","245892","2020-10-21","18:00:00",""
"2311449","11.0838","0.0004","18.0949","0.0007","10.661","0.0004","90","","101.474","0.002","90","","2095.44","0.14","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ~2~-Chlorido-dichlorido(μ~2~-2-{[2-(dimethylamino)ethyl]iminomethyl}phenolato)(N,N-dimethylethylenediamine)dicopper(II) 0.11-hydrate","","- C15 H27.22 Cl3 Cu2 N4 O1.11 -","- C15 H27 Cl3 Cu2 N4 O1.108 -","- C60 H108 Cl12 Cu8 N16 O4.432 -","4","1","WM5417","Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; de Carvalho, Marcos Alberto; Rodrigues Goulart Bergamini, Fernando; Corbi, Pedro Paulo","N,N',N'' versus N,N',O imine-containing coordination motifs: ligand-directed synthesis of mononuclear and binuclear CuII compounds.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1563","1567","10.1107/S2056989017013652","","","1.54178","CuKα","","0.0256","0.022","","","0.0545","0.0562","","","","","","1.03","","","","has coordinates","245893","2020-10-21","18:00:00",""
"2311450","6.9667","0.0005","24.735","0.002","7.9294","0.0006","90","","103.693","0.004","90","","1327.57","0.18","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido[N,N-dimethyl-N'-(pyridin-2-ylmethylidene)ethane-1,2-diamine]copper(II) monohydrate","","- C10 H17 Cl2 Cu N3 O -","- C10 H17 Cl2 Cu N3 O -","- C40 H68 Cl8 Cu4 N12 O4 -","4","1","WM5417","Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; de Carvalho, Marcos Alberto; Rodrigues Goulart Bergamini, Fernando; Corbi, Pedro Paulo","N,N',N'' versus N,N',O imine-containing coordination motifs: ligand-directed synthesis of mononuclear and binuclear CuII compounds.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1563","1567","10.1107/S2056989017013652","","","1.54178","CuKα","","0.0418","0.0399","","","0.1067","0.1082","","","","","","1.101","","","","has coordinates","245893","2020-10-21","18:00:00",""
"2311451","10.1437","0.0008","10.1437","0.0008","21.4664","0.0015","90","","90","","90","","2208.8","0.3","296","2","296.15","","","","","","","","","6","P 43","P 4cw","78","","Poly[diaquabis(μ~5~-benzene-1,3-dicarboxylato)(N,N-dimethylformamide)cadmium(II)disodium(I)]","","- C19 H19 Cd N Na2 O11 -","- C19 H19 Cd N Na2 O11 -","- C76 H76 Cd4 N4 Na8 O44 -","4","1","PJ2046","Sangsawang, Matimon; Chainok, Kittipong; Wannarit, Nanthawat","Crystal structure of poly[di-aqua-bis-(μ5-benzene-1,3-di-carboxyl-ato)(N,N-di-methyl-formamide)-cadmium(II)disodium(I)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1599","1602","10.1107/S2056989017013871","","","0.71073","MoKα","","0.0321","0.0277","","","0.0661","0.0677","","","","","","1.031","","","","has coordinates,has disorder","245894","2020-10-21","18:00:00",""
"2311452","22.432","0.003","8.1656","0.0012","15.036","0.002","90","","98.636","0.003","90","","2722.9","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[silver(I)-μ~3~-bis(pyridin-3-ylmethyl)sulfane-κ^3^N:N':S] nitrate]","","- C12 H12 Ag N3 O3 S -","- C12 H12 Ag N3 O3 S -","- C96 H96 Ag8 N24 O24 S8 -","8","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","Crystal structure of a twisted-ribbon type double-stranded AgI coordination polymer: catena-poly[[silver(I)-μ3-bis-(pyridin-3-ylmeth-yl)sulfane-κ3N:N':S] nitrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1587","1589","10.1107/S2056989017013925","","","0.71073","MoKα","","0.0811","0.0436","","","0.0935","0.1087","","","","","","0.972","","","","has coordinates,has disorder","245895","2020-10-21","18:00:00",""
"2311453","7.1755","0.0005","10.7013","0.0008","16.2586","0.0011","86.072","0.003","78.868","0.002","73.222","0.003","1172.71","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(E)-7-[(4-Nitrophenyl)diazenyl]-3a-(p-tolyl)-2,3,3a,4-tetrahydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-1-one 0.58-dimethyl sulfoxide 0.42-acetonitrile solvate","","- C25 H23.75 N5.41 O3.59 S0.59 -","- C25 H23.755 N5.415 O3.585 S0.585 -","- C50 H47.51 N10.83 O7.17 S1.17 -","2","1","YK2109","Grinev, Vyacheslav S.; Babkina, Natalya V.; Yegorova, Alevtina Yu","(E)-7-[(4-Nitro-phen-yl)diazen-yl]-3a-(p-tol-yl)-2,3,3a,4-tetra-hydro-1H-benzo[d]pyrrolo-[1,2-a]imidazol-1-one 0.58-dimethyl sulfoxide 0.42-aceto-nitrile solvate: crystal structure, Hirshfeld analysis and DFT estimation of the energy of inter-molecular inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1590","1594","10.1107/S2056989017013937","","","0.71073","MoKα","","0.0716","0.0495","","","0.121","0.1344","","","","","","1.002","","","","has coordinates,has disorder","245896","2020-10-21","18:00:00",""
"2311454","8.1346","0.0003","8.2092","0.0003","17.234","0.0006","92.4728","0.0012","91.3245","0.0013","107.041","0.0012","1098.54","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Bis(2-amino-4-methoxy-6-methylpyrimidinium) isophthalate","Bis(2-amino-4-methoxy-6-methylpyrimidinium) benzene-1,3-dicarboxylate","","- C20 H24 N6 O6 -","- C20 H24 N6 O6 -","- C40 H48 N12 O12 -","2","1","ZS2389","Jeevaraj, Muthaiah; Sivajeyanthi, Palaniyappan; Edison, Bellarmin; Thanigaimani, Kaliyaperumal; Balasubramani, Kasthuri; Razak, Ibrahim Abdul","Supra-molecular patterns and Hirshfeld surface analysis in the crystal structure of bis-(2-amino-4-meth-oxy-6-methyl-pyrimidinium) isophthalate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1595","1598","10.1107/S2056989017013950","","","0.71073","MoKα","","0.0666","0.0471","","","0.129","0.1506","","","","","","1.093","","","","has coordinates","245897","2020-10-21","18:00:00",""
"2311455","7.942","0.002","9.453","0.003","10.226","0.002","67.706","0.015","72.228","0.016","86.41","0.02","675.2","0.3","93","","93","","","","","","","","","3","P -1","-P 1","2","","Diethyl 2-(3-oxo-1,3-dihydro-2-benzofuran-1-ylidene)propanedioate","","- C15 H14 O6 -","- C15 H14 O6 -","- C30 H28 O12 -","2","1","HB7700","Tyumentsev, Mikhail S.; Foreman, Mark R StJ; Steenari, Britt-Marie; Slawin, Alexandra M. Z.","Crystal structure and identification of resonance forms of diethyl 2-(3-oxoiso-1,3-di-hydro-benzo-furan-1-yl-idene)malonate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1576","1579","10.1107/S2056989017013962","","","0.71075","MoKα","","0.0297","0.0279","","","0.0762","0.0776","","","","","","1.072","","","","has coordinates","245898","2020-10-21","18:00:00",""
"2311456","8.5797","0.0007","14.745","0.0013","16.772","0.0014","90","","90","","90","","2121.8","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3',8-Dibenzylidene-4a,5,6,7,8,8a-hexahydro-2'H-spiro[chromene-2,1'-cyclohexan]-2'-one","","- C28 H28 O2 -","- C28 H28 O2 -","- C112 H112 O8 -","4","1","RK2438","Anis'kov, Alexander; Grinev, Vyacheslav; Klochkova, Irina","Crystal structure and features of 3',8-di-benzyl-idene-4a,5,6,7,8,8a-hexa-hydro-2'H-spiro-[chromene-2,1'-cyclo-hexa-n]-2'-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1622","1625","10.1107/S2056989017014165","","","0.71073","MoKα","","0.0763","0.0557","","","0.1196","0.1319","","","","","","1.047","","","","has coordinates","245899","2020-10-21","18:00:00",""
"2311457","21.292","0.003","10.1837","0.0012","24.867","0.004","90","","102.668","0.005","90","","5260.7","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetato-κO){5,6-dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-\ 1H-benzimidazole-κ^2^N^2^,N^3^}copper(II) acetonitrile monosolvate","","- C26 H27 Cu N5 O4 -","- C26 H27 Cu N5 O4 -","- C208 H216 Cu8 N40 O32 -","8","1","ZL2717","Geiger, David K.; DeStefano, Matthew R.; Lewis, Robert A.","Structural characterization of two solvates of a luminescent copper(II) bis-(pyridine)-substituted benzimidazole complex.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1616","1621","10.1107/S2056989017014232","","","0.71073","MoKα","","0.0809","0.0594","","","0.1617","0.1778","","","","","","1.016","","","","has coordinates","245900","2020-10-21","18:00:00",""
"2311458","11.2595","0.0011","14.013","0.0015","16.5004","0.0018","81.873","0.004","77.126","0.004","80.348","0.004","2487.4","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κO){5,6-dimethyl-2-(pyridin-2-yl)-1-[pyridin-2-yl)methyl]-\ 1H-benzimidazole-κ^2^N^2^,N^3^}copper(II) ethanol hemisolvate","","- C50 H54 Cu2 N8 O9 -","- C50 H54 Cu2 N8 O9 -","- C100 H108 Cu4 N16 O18 -","2","1","","Geiger, David K.; DeStefano, Matthew R.; Lewis, Robert A.","Structural characterization of two solvates of a luminescent copper(II) bis-(pyridine)-substituted benzimidazole complex.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1616","1621","10.1107/S2056989017014232","","","0.71073","MoKα","","0.0681","0.0447","","","0.1098","0.1213","","","","","","1.036","","","","has coordinates,has disorder","245900","2020-10-21","18:00:00",""
"2311459","14.2201","0.0012","9.9787","0.0007","19.4205","0.0013","90","","90.2","0.002","90","","2755.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-iodido-bis({2-[(benzylamino-κN)methyl]phenyl-κC^1^}palladium(II))","","- C28 H28 I2 N2 Pd2 -","- C28 H28 I2 N2 Pd2 -","- C112 H112 I8 N8 Pd8 -","4","1","WM5411","Bautista, Delia; Benitez-Benitez, Sergio J","Synthesis and crystal structure of [Pd{C6H4(CH2NHCH2Ph)-2-κ2C,N}(μ-I)]2.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1612","1615","10.1107/S2056989017014281","","","0.71073","MoKα","","0.0366","0.031","","","0.0796","0.0836","","","","","","1.028","","","","has coordinates","245901","2020-10-21","18:00:00",""
"2311460","9.0982","0.0002","9.9556","0.0003","10.5071","0.0003","66.772","0.001","74.572","0.001","77.706","0.001","836.76","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Z)-2-[(Z)-3-Methyl-2-({(E)-1-[(R*)-4-methylcyclohex-3-en-1-yl]ethylidene}hydrazinylidene)-4-oxothiazolidin-5-ylidene]acetate","","- C16 H21 N3 O3 S -","- C16 H21 N3 O3 S -","- C32 H42 N6 O6 S2 -","2","1","","Fawzi, Mourad; Auhmani, Aziz; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Ketatni, El Mostafa","Crystal structure of methyl (Z)-2-[(Z)-3-methyl-2-({(E)-1-[(R*)-4-methyl-cyclo-hex-3-en-1-yl]ethyl-idene}hydrazinyl-idene)-4-oxo-thia-zolidin-5-yl-idene]acetate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1626","1629","10.1107/S2056989017014311","","","1.54178","CuKα","","0.0397","0.0376","","","0.1","0.1017","","","","","","1.06","","","","has coordinates","245902","2020-10-21","18:00:00",""
"2311461","33.6032","0.0008","6.0235","0.0001","28.0229","0.0007","90","","121.007","0.001","90","","4861.57","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ammonium hexamethylenetetraminium bis(2-chloro-4-nitro-benzoate)","","- C20 H23 Cl2 N7 O8 -","- C20 H23 Cl2 N7 O8 -","- C160 H184 Cl16 N56 O64 -","8","1","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0604","0.0385","","","0.084","0.0926","","","","","","0.951","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311462","8.2777","0.0002","19.7942","0.0005","13.5331","0.0004","90","","90","","90","","2217.4","0.1","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Hexamethylenetetraminium hydrogen bis(2-chloro-4-nitro-benzoate)","","- C20 H20 Cl2 N6 O8 -","- C20 H20 Cl2 N6 O8 -","- C80 H80 Cl8 N24 O32 -","4","0.5","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0389","0.0305","","","0.0796","0.0841","","","","","","1.057","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311463","5.9049","0.0001","21.933","0.0004","12.0194","0.0002","90","","103.445","0.001","90","","1514","0.05","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Hexamethylenetetraminium 2-chloro-4-nitro-benzoate","","- C13 H16 Cl N5 O4 -","- C13 H16 Cl N5 O4 -","- C52 H64 Cl4 N20 O16 -","4","1","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0269","0.0256","","","0.0651","0.0659","","","","","","1.067","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311464","12.0663","0.0002","19.5741","0.0004","6.6473","0.0001","90","","105.82","0.001","90","","1510.54","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexamethylenetetraminium 2-chloro-4-nitro-benzoate","","- C13 H16 Cl N5 O4 -","- C13 H16 Cl N5 O4 -","- C52 H64 Cl4 N20 O16 -","4","1","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0478","0.0392","","","0.1045","0.1093","","","","","","1.052","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311465","9.3594","0.0007","10.1143","0.0007","15.807","0.0012","106.704","0.005","92.432","0.007","106.777","0.005","1359.31","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(E)-N'-(3-Cyanobenzylidene)-N-methyl-2-(thiophen-2-yl)acetohydrazide","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C60 H52 N12 O4 S4 -","4","2","VM2205","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Crystal structures and Hirshfeld surfaces of differently substituted (E)-N'-benzyl-idene-N-methyl-2-(thio-phen-2-yl)acetohydrazides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1636","1641","10.1107/S2056989017014384","","","0.71075","MoKα","","0.0477","0.0384","","","0.0989","0.1037","","","","","","1.043","","","","has coordinates","245904","2020-10-21","18:00:00",""
"2311466","7.2148","0.0005","8.8307","0.0005","24.112","0.0017","80.025","0.006","87.601","0.007","76.097","0.006","1468.67","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(E)-N'-(4-Methoxybenzylidene)-N-methyl-2-(thiophen-2-yl)acetohydrazide","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","2","VM2205","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Crystal structures and Hirshfeld surfaces of differently substituted (E)-N'-benzyl-idene-N-methyl-2-(thio-phen-2-yl)acetohydrazides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1636","1641","10.1107/S2056989017014384","","","0.71073","MoKα","","0.0516","0.0443","","","0.1216","0.1266","","","","","","1.059","","","","has coordinates,has disorder","245904","2020-10-21","18:00:00",""
"2311467","22.418","0.005","11.501","0.002","25.094","0.005","90","","105.5","0.03","90","","6235","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4,4'-Bipyridyl-κN)bis[N-(2-hydroxyethyl)-N-isopropyldithiocarbamato-κ^2^S,S']zinc(II)‒4,4'-bipyridyl (2/1)","","- C27 H36 N5 O2 S4 Zn -","- C27 H36 N5 O2 S4 Zn -","- C216 H288 N40 O16 S32 Zn8 -","8","1","HB7712","Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of (4,4'-bipyridyl-κN)bis-[N-(2-hydroxy-ethyl)-N-iso-propyl-dithio-carbamato-κ2S,S']zinc(II)-4,4'-bipyridyl (2/1) and its isostructural cadmium(II) analogue.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1642","1646","10.1107/S2056989017014396","","","0.71073","MoKα","","0.0773","0.0409","","","0.0812","0.0964","","","","","","0.996","","","","has coordinates","245905","2020-10-21","18:00:00",""
"2311468","22.7028","0.0012","11.595","0.0006","24.8196","0.0013","90","","103.385","0.001","90","","6356","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4,4'-Bipyridyl-κN)bis(N-2-hydroxyethyl-N-isopropyldithiocarbamato-κ^2^S,S')cadmium(II)‒4,4'-bipyridyl (2/1)","","- C27 H36 Cd N5 O2 S4 -","- C27 H36 Cd N5 O2 S4 -","- C216 H288 Cd8 N40 O16 S32 -","8","1","HB7712","Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of (4,4'-bipyridyl-κN)bis-[N-(2-hydroxy-ethyl)-N-iso-propyl-dithio-carbamato-κ2S,S']zinc(II)-4,4'-bipyridyl (2/1) and its isostructural cadmium(II) analogue.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1642","1646","10.1107/S2056989017014396","","","0.71073","MoKα","","0.0217","0.0186","","","0.0474","0.0492","","","","","","0.993","","","","has coordinates","245905","2020-10-21","18:00:00",""
"2311469","21.802","0.015","4.597","0.003","12.742","0.009","90","","97.598","0.011","90","","1265.8","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzyl(benzylidene)azane oxide peroxosolvate","(Z)-N-Benzylidene-1-phenylmethanamine oxide hydrogen peroxide monosolvate","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","ZS2391","Churakov, Andrei V.; Prikhodchenko, Petr V.; Medvedev, Alexander G.; Mikhaylov, Alexey A.","Crystal structure of (Z)-N-benzyl-idene-1-phenyl-methanamine oxide hydrogen peroxide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1666","1669","10.1107/S2056989017014499","","","0.71073","MoKα","","0.1624","0.0766","","","0.1867","0.2182","","","","","","1.046","","","","has coordinates","245906","2020-10-21","18:00:00",""
"2311470","14.5323","0.0004","23.3731","0.0006","19.1883","0.0004","90","","93.653","0.001","90","","6504.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ~2~-Bis(diphenylphosphanyl)hexane]bis[undecacarbonyl-triangulo-triruthenium(3 Ru—Ru)] hexane monosolvate","","- C58 H46 O22 P2 Ru6 -","- C58 H46 O22 P2 Ru6 -","- C232 H184 O88 P8 Ru24 -","4","1","HB7713","Shawkataly, Omar Bin; Sirat, Siti Syaida; Jotani, Mukesh M.; Tiekink, Edward R. T.","[μ2-Bis(di-phenyl-phosphan-yl)hexa-ne]bis-[undeca-carbonyl-triangulo-triruthenium(3 Ru-Ru)] hexane monosolvate: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1652","1657","10.1107/S2056989017014517","","","0.71073","MoKα","","0.0679","0.0431","","","0.0862","0.0969","","","","","","1.014","","","","has coordinates,has disorder","245907","2020-10-21","18:00:00",""
"2311471","7.475","0.0007","7.7067","0.0006","14.6585","0.0009","104.696","0.006","92.637","0.006","94.548","0.007","812.33","0.11","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","2","DX2001","Yahyazadeh, Mahdi; Jerz, Gerold; Selmar, Dirk; Winterhalter, Peter; Jones, Peter G.","Crystal structure of akuammicine, an indole alkaloid from Catharanthus roseus.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1658","1661","10.1107/S2056989017014529","","","1.54184","CuKα","","0.0465","0.0408","","","0.0957","0.1008","","","","","","1.04","","","","has coordinates","245908","2020-10-21","18:00:00",""
"2311472","6.1368","0.0004","13.9799","0.0009","11.4609","0.0007","90","","100.193","0.002","90","","967.73","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Benzothiazol-2-yl)thiophene","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C44 H28 N4 S8 -","4","1","TX2001","Nguyen Ngoc, Linh; Vu Quoc, Trung; Duong Quoc, Hoan; Vu Quoc, Manh; Truong Minh, Luong; Thang Pham, Chien; Van Meervelt, Luc","Green synthesis and crystal structure of 3-(benzo-thia-zol-2-yl)thio-phene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1647","1651","10.1107/S2056989017014530","","","0.71073","MoKα","","0.0788","0.0762","","","0.1702","0.1715","","","","","","1.222","","","","has coordinates,has disorder","245909","2020-10-21","18:00:00",""
"2311473","15.7473","0.0014","7.3042","0.0005","22.7257","0.0019","90","","90","","90","","2613.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-{(1E)-[(4-Hydroxyphenyl)iminio]methyl}naphthalen-2-olate","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","EX2001","Devika, Bhai R.; Girija, C. R.; Shalini, Suresh; Jotani, Mukesh M.; Tiekink, Edward R. T.","Zwitterionic 1-{(1E)-[(4-hy-droxy-phen-yl)iminio]meth-yl}naphthalen-2-olate: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1674","1678","10.1107/S205698901701458X","","","0.71073","MoKα","","0.0704","0.0407","","","0.0968","0.115","","","","","","1.043","","","","has coordinates","245910","2020-10-21","18:00:00",""
"2311474","10.319","0.0003","20.6009","0.0007","15.8756","0.0005","90","","91.64","0.003","90","","3373.46","0.18","100","1","100","1","","","","","","","","4","I 1 a 1","I -2ya","9","4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman","4-(1,3,3-Trimethyl-2,3-dihydro-1H-4-thiaphenanthren-1-yl)phenol","","- C22 H22 O S -","- C22 H22 O S -","- C176 H176 O8 S8 -","8","2","HB7711","Frampton, Christopher S.; McKendrick, Joseph J.; MacNicol, David D.","4-(4-Hy-droxy-phenyl)-2,2,4-trimethyl-7,8-benzo-thia-chroman, a fused-ring counterpart of thia-Dianin's compound.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1662","1665","10.1107/S2056989017014608","","","1.54184","CuKα","","0.0386","0.0369","","","0.102","0.103","","","","","","1.019","","","","has coordinates","245911","2020-10-21","18:00:00",""
"2311475","9.8233","0.0009","12.4719","0.0012","16.4432","0.0016","90","","100.184","0.007","90","","1982.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua(1H-imidazole-κN^3^)(nitrato-κ^2^O,O')bis(4-oxopent-2-en-2-olato-κ^2^O,O')lanthanum(III)","","- C13 H22 La N3 O9 -","- C13 H22 La N3 O9 -","- C52 H88 La4 N12 O36 -","4","1","VN2131","Koizumi, Atsuya; Hasegawa, Takuya; Itadani, Atsushi; Toda, Kenji; Zhu, Taoyun; Sato, Mineo","A new lanthanum(III) complex containing acetyl-acetone and 1H-imidazole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1739","1742","10.1107/S205698901701461X","","","0.71073","MoKα","","0.0173","0.016","","","0.0396","0.0402","","","","","","1.069","","","","has coordinates","245912","2020-10-21","18:00:00",""
"2311476","6.2464","0.0003","13.5674","0.0006","17.4584","0.0008","90","","100.128","0.001","90","","1456.5","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1R,5S)-endo-(8-Methyl-8-azoniabicyclo[3.2.1]oct-\ 3-yl)ammonium aquatrichloridonitratocopper(II)","","- C8 H20 Cl3 Cu N3 O4 -","- C8 H20 Cl3 Cu N3 O4 -","- C32 H80 Cl12 Cu4 N12 O16 -","4","1","CQ2021","Britvin, Sergey N.; Rumyantsev, Andrey M.","Crystal structure of (1R,5S)-endo-(8-methyl-8-azoniabi-cyclo-[3.2.1]oct-3-yl)ammonium aqua-tri-chlorido-nitratocopper(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1712","1715","10.1107/S2056989017014633","","","0.71073","MoKα","","0.0189","0.0179","","","0.0487","0.0492","","","","","","1.052","","","","has coordinates","245913","2020-10-21","18:00:00",""
"2311477","8.3515","0.0009","10.5778","0.0009","13.673","0.001","107.609","0.007","98.954","0.008","106.505","0.008","1064.57","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-4-Methyl-N-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide N,N-dimethylformamide monosolvate","","- C19 H23 N5 O6 S -","- C19 H23 N5 O6 S -","- C38 H46 N10 O12 S2 -","2","1","RZ5222","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structure of (E)-4-methyl-N-{2-[2-(4-nitro-benzyl-idene)hydrazin-1-yl]-2-oxoeth-yl}benzene-sulfonamide N,N-di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1683","1686","10.1107/S2056989017014669","","","0.71073","MoKα","","0.0495","0.0389","","","0.1014","0.1079","","","","","","1.038","","","","has coordinates","245914","2020-10-21","18:00:00",""
"2311478","16.08","0.002","7.9997","0.0012","14.308","0.002","90","","114.094","0.002","90","","1680.2","0.4","125","2","125","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,4,6-Trimethylbenzoic anhydride","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","0.5","HB7710","Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.","Crystal structure of 2,4,6-tri-methyl-benzoic anhydride.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1735","1738","10.1107/S2056989017014670","","","0.71073","MoKα","","0.042","0.0373","","","0.1026","0.1069","","","","","","1.052","","","","has coordinates","245915","2020-10-21","18:00:00",""
"2311479","9.51872","0.00015","10.88545","0.00017","27.8353","0.0005","90","","93.8563","0.0015","90","","2877.64","0.08","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2,6-Bis[(dimethylamino)methyl]phenyl-κ^3^N,C^1^,N'}\ [bromido/chlorido(0.30/0.70)]mercury(II)‒{2,6-bis[(dimethylamino)methyl]phenyl- κ^3^N,C^1^,N'}[bromido/chlorido(0.24/0.76)]mercury(II) (1/1)","","- C24 H38 Br0.54 Cl1.46 Hg2 N4 -","- C24 H38 Br0.538 Cl1.462 Hg2 N4 -","- C96 H152 Br2.152 Cl5.848 Hg8 N16 -","4","1","HG5496","Gupta, Anand; Singh, Harkesh B.; Butcher, Ray J.","Crystal structure of {2,6-bis-[(di-methyl-amino)-meth-yl]phenyl-κ3N,C1,N'}(bromido/chlorido)-mercury(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1679","1682","10.1107/S2056989017014682","","","1.54184","CuKα","","0.0388","0.0326","","","0.0711","0.0747","","","","","","1.056","","","","has coordinates,has disorder","245916","2020-10-21","18:00:00",""
"2311480","7.4829","0.0004","16.8867","0.0008","24.2649","0.0013","90","","98.18","0.003","90","","3035","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua(perchlorato)bis[μ-(E)-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato-κ^4^N,N',O:O]dicopper(II) perchlorate","","- C28 H28 Cl2 Cu2 N4 O11 -","- C28 H28 Cl2 Cu2 N4 O11 -","- C112 H112 Cl8 Cu8 N16 O44 -","4","1","HG5497","Okeke, Ugochukwu; Gultneh, Yilma; Butcher, Ray J.","Crystal structure of aqua-(perchlorato)bis-[μ-(E)-2-({[2-(pyridin-2-yl)eth-yl]imino}-meth-yl)phenolato-κ4N,N',O:O]dicopper(II) perchlorate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1708","1711","10.1107/S2056989017014694","","","0.71073","MoKα","","0.0524","0.0361","","","0.0773","0.084","","","","","","1.023","","","","has coordinates,has disorder","245917","2020-10-21","18:00:00",""
"2311481","8.216","0.0011","9.8605","0.0013","10.741","0.0014","95.999","0.002","90.181","0.002","113.774","0.002","790.99","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Dihydroxy-2-propoxyanthraquinone acetonitrile monosolvate","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C38 H34 N2 O10 -","2","1","PK2605","Bosch, Eric; McClain, Emily N.","Synthesis and crystal structures of two purpurin derivatives: 1,4-dihy-droxy-2-propoxyanthra-quinone and 2-but-oxy-1,4-di-hydroxy-anthra-quinone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1687","1691","10.1107/S2056989017014724","","","0.71073","MoKα","","0.0649","0.0517","","","0.14","0.153","","","","","","1.058","","","","has coordinates","245918","2020-10-21","18:00:00",""
"2311482","4.773","0.0009","44.272","0.008","13.807","0.003","90","","95.164","0.002","90","","2905.7","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Butoxy-1,4-dihydroxyanthraquinone","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","2","PK2605","Bosch, Eric; McClain, Emily N.","Synthesis and crystal structures of two purpurin derivatives: 1,4-dihy-droxy-2-propoxyanthra-quinone and 2-but-oxy-1,4-di-hydroxy-anthra-quinone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1687","1691","10.1107/S2056989017014724","","","0.71073","MoKα","","0.1202","0.0626","","","0.1419","0.1657","","","","","","1.04","","","","has coordinates","245918","2020-10-21","18:00:00",""
"2311483","5.1962","0.0001","10.7814","0.0003","24.0067","0.0006","90","","90.256","0.002","90","","1344.9","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzyl-1-(4-nitrophenyl)-1H-1,2,3-triazole","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C60 H48 N16 O8 -","4","1","HG5498","Zukerman-Schpector, Julio; Dallasta Pedroso, Sofia; Sousa Madureira, Lucas; Weber Paixão, Márcio; Ali, Akbar; Tiekink, Edward R. T.","4-Benzyl-1-(4-nitro-phen-yl)-1H-1,2,3-triazole: crystal structure and Hirshfeld analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1716","1720","10.1107/S2056989017014748","","","0.71073","MoKα","","0.053","0.0397","","","0.0964","0.1057","","","","","","1.059","","","","has coordinates","245919","2020-10-21","18:00:00",""
"2311484","10.455","0.0013","17.662","0.002","7.9653","0.001","90","","108.16","0.003","90","","1397.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[bis(nitrato-κ^2^O,O')cobalt(II)]-μ-N-(pyridin-2-ylmethyl)pyridine-3-amine-κ^3^N,N':N'']","","- C11 H11 Co N5 O6 -","- C11 H11 Co N5 O6 -","- C44 H44 Co4 N20 O24 -","4","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","Crystal structure of a CoII coordination polymer with a dipyridyl ligand: catena-poly[[bis-(nitrato-κ2O,O')cobalt(II)]-μ-N-(pyridin-2-ylmeth-yl)pyridine-3-amine-κ3N,N':N''].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1696","1699","10.1107/S205698901701475X","","","0.71073","MoKα","","0.088","0.0405","","","0.0736","0.0868","","","","","","0.962","","","","has coordinates","245920","2020-10-21","18:00:00",""
"2311485","9.4","0.02","10.3","0.02","12.81","0.03","92.05","0.06","99.67","0.07","114.3","0.06","1107","4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","Poly[tetra-μ-cyanido-ethanolbis(2-iodopyrazine)digold(I)iron(II)]","","- C14 H12 Au2 Fe I2 N8 O -","- C14 H12 Au2 Fe I2 N8 O -","- C28 H24 Au4 Fe2 I4 N16 O2 -","2","1","XU5907","Fei, Bin; Kucheriv, Olesia I.; Tokmenko, Inna I.; Terebilenko, Kateryna V.; Gural'skiy, Il'ya A.","Crystal structure of poly[tetra-μ-cyanido-ethanol-bis(2-iodo-pyrazine)-digold(I)iron(II)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1755","1758","10.1107/S2056989017014785","","","0.71073","MoKα","","0.0484","0.0384","","","0.0746","0.0773","","","","","","0.923","","","","has coordinates","245921","2020-10-21","18:00:00",""
"2311486","9.366","0.005","15.203","0.005","23.07","0.005","90","","90","","90","","3285","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(4-4'-diammonio-diphenyl)sulfone tetra(nitrate) monohydrate","Bis[bis(4-azaniumylphenyl) sulfone] tetranitrate monohydrate","","- C12 H15 N8 O8.5 S -","- C12 H15 N4 O8.5 S -","- C96 H120 N32 O68 S8 -","8","2","ZS2390","Benahsene, Amani Hind; Bendjeddou, Lamia; Merazig, Hocine","Crystal structure of bis[bis(4-azaniumylphenyl) sulfone] tetranitrate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1721","1725","10.1107/S2056989017014803","","","0.71073","MoKα","","0.1241","0.0632","","","0.1613","0.2008","","","","","","0.979","","","","has coordinates","279947","2022-12-20","10:58:45",""
"2311487","8.8963","0.0008","9.4701","0.0009","9.5839","0.0009","115.356","0.003","106.876","0.003","94.119","0.003","680.03","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","VII","3,5-Dibromo-4-cyanobenzoic acid‒anthracene (2/1)","","- C15 H8 Br2 N O2 -","- C15 H8 Br2 N O2 -","- C30 H16 Br4 N2 O4 -","2","1","LH5854","Noland, Wayland E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J.","A 2:1 co-crystal of 3,5-di-bromo-4-cyano-benzoic acid and anthracene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1743","1746","10.1107/S2056989017014815","","","1.54178","CuKα","","0.0277","0.0264","","","0.0668","0.0681","","","","","","1.055","","","","has coordinates","245923","2020-10-21","18:00:00",""
"2311488","26.404","0.005","7.9303","0.0016","30.72","0.006","90","","95.09","0.03","90","","6407","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3RS,3aSR,8RS,8aRS)-Methyl 5,6-dimethoxy-3a,10-dimethyl-1-phenyl-3,3a,8,8a-tetrahydro-3,8-(epiminomethano)cyclopenta[a]indene-2-carboxylate","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C300 H324 N12 O48 -","12","3","YK2110","Anh, Le Tuan; Titov, Alexander A.; Kobzev, Maxim S.; Voskressensky, Leonid G.; Varlamov, Alexey V.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Unusual thermolysis of aza-cyclic allene under microwave conditions: crystal structure of (3RS,3aSR,8RS,8aRS)-methyl 5,6-dimeth-oxy-3a,10-dimethyl-1-phenyl-3,3a,8,8a-tetra-hydro-3,8-(epimino-methano)-cyclo-penta-[a]indene-2-carboxyl-ate from synchrotron X-ray diffraction.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1770","1773","10.1107/S2056989017014864","","","0.9699","synchrotron","","0.0759","0.0529","","","0.1291","0.1458","","","","","","1.068","","","","has coordinates","245924","2020-10-21","18:00:00",""
"2311489","20.8869","0.0016","22.4197","0.0013","9.6352","0.0006","90","","90","","90","","4512","0.5","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","1,3,6,8-Tetraazatricyclo[4.4.1.1^3,8^]dodecane‒4-iodophenol (1/2)","","- C20 H26 I2 N4 O2 -","- C20 H26 I2 N4 O2 -","- C160 H208 I16 N32 O16 -","8","0.5","SJ5537","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of the co-crystalline adduct 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.13,8]dodecane (TATD)-4-iodo-phenol (1/2): supra-molecular assembly mediated by halogen and hydrogen bonding.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1692","1695","10.1107/S2056989017014943","","","0.71073","MoKα","","0.025","0.0246","","","0.0645","0.0647","","","","","","1.057","","","","has coordinates","245925","2020-10-21","18:00:00",""
"2311490","8.162","0.0007","8.8158","0.0008","9.5078","0.0008","98.531","0.002","109.218","0.002","92.062","0.002","636.22","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[bis(nitrato-κO)cobalt(II)]bis[μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^N:N']]","","- C24 H24 Co N6 O6 S2 -","- C24 H24 Co N6 O6 S2 -","- C24 H24 Co N6 O6 S2 -","1","0.5","","Moon, Suk-Hee; Seo, Joobeom; Park, Ki-Min","Crystal structure of a looped-chain CoII coordination polymer: catena-poly[[bis-(nitrato-κO)cobalt(II)]bis-[μ-bis-(pyridin-3-ylmeth-yl)sulfane-κ2N:N']].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1700","1703","10.1107/S2056989017014980","","","0.71073","MoKα","","0.0409","0.0328","","","0.0834","0.0877","","","","","","1.037","","","","has coordinates","245926","2020-10-21","18:00:00",""
"2311491","9.3136","0.0003","12.4532","0.0005","16.1799","0.0006","70.584","0.003","89.453","0.003","74.996","0.003","1703.51","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridine-4-carbothioamide-κN^1^)bis(thiocyanato-κN)cobalt(II) methanol monosolvate","","- C27 H28 Co N10 O S6 -","- C27 H28 Co N10 O S6 -","- C54 H56 Co2 N20 O2 S12 -","2","1","WM5421","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of bis-(pyridine-4-carbo-thio-amide-κN1)bis-(thio-cyanato-κN)cobalt(II) methanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1786","1789","10.1107/S2056989017015055","","","0.71073","MoKα","","0.0398","0.0311","","","0.077","0.0795","","","","","","1.068","","","","has coordinates","245927","2020-10-21","18:00:00",""
"2311492","7.2739","0.0007","11.2713","0.0011","14.6909","0.0015","87.562","0.001","78.341","0.001","71.624","0.001","1119.16","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-(3-Phenylisothiazol-5-yl)-1,3,4-oxathiazol-2-one","","- C11 H6 N2 O2 S2 -","- C11 H6 N2 O2 S2 -","- C44 H24 N8 O8 S8 -","4","2","","Zhu, Shuguang; Schriver, Melbourne J.; Hendsbee, Arthur D.; Masuda, Jason D.","The crystal structures of two isomers of 5-(phenyl-iso-thia-zol-yl)-1,3,4-oxa-thia-zol-2-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1726","1731","10.1107/S2056989017015067","","","0.71073","MoKα","","0.0349","0.0314","","","0.1015","0.106","","","","","","1.036","","","","has coordinates","245928","2020-10-21","18:00:00",""
"2311493","9.7202","0.0006","9.9723","0.0006","11.2165","0.0007","90","","90.399","0.001","90","","1087.22","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(3-Phenylisothiazol-4-yl)-1,3,4-oxathiazol-2-one","","- C11 H6 N2 O2 S2 -","- C11 H6 N2 O2 S2 -","- C44 H24 N8 O8 S8 -","4","1","","Zhu, Shuguang; Schriver, Melbourne J.; Hendsbee, Arthur D.; Masuda, Jason D.","The crystal structures of two isomers of 5-(phenyl-iso-thia-zol-yl)-1,3,4-oxa-thia-zol-2-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1726","1731","10.1107/S2056989017015067","","","0.71073","MoKα","","0.0309","0.0297","","","0.0814","0.0831","","","","","","1.016","","","","has coordinates","245928","2020-10-21","18:00:00",""
"2311494","7.5701","0.0003","14.1261","0.0004","14.9018","0.0005","97.351","0.003","102.335","0.003","91.206","0.003","1542.03","0.09","293","2","293","","","","","","","","","6","P -1","-P 1","2","","Bis(1H-benzo[d][1,2,3]triazole-κN^2^){2,2'-[N-(phenylphosphorylmethyl-κO)azanediyl]diacetato-κ^3^O,N,O'}cobalt(II)‒1H-benzo[d][1,2,3]triazole (1/1)","","- C29 H27 Co N10 O6 P -","- C29 H27 Co N10 O6 P -","- C58 H54 Co2 N20 O12 P2 -","2","1","XU5906","Du, Chao-Jun; Zhao, Xiao-Na","Synthesis and crystal structure of bis-(1H-benzo[d][1,2,3]triazole-κN2){2,2'-[N-(phenyl-phospho-r-yl-methyl-κO)aza-nedi-yl]di-acetato-κ3O,N,O'}cobalt(II)-1H-benzo[d][1,2,3]triazole (1/1).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1704","1707","10.1107/S2056989017015079","","","0.71073","MoKα","","0.0519","0.0379","","","0.0886","0.0971","","","","","","1.019","","","","has coordinates","245929","2020-10-21","18:00:00",""
"2311495","7.2782","0.0004","14.0016","0.0007","15.7852","0.0008","90","","99.546","0.001","90","","1586.34","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Acetyl-11-methoxy-5,6-dihydro[1,3]dioxolo[4,5-g]pyrrolo[2,1-a]isoquinolin-1-yl)propan-2-one","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","HB7707","Anh, Le Tuan; Titov, Alexander A.; Samavati, Reza; Voskressensky, Leonid G.; Varlamov, Alexey V.; Khrustalev, Victor N.","A new approach to alkaloid-like systems: synthesis and crystal structure of 1-(2-acetyl-11-meth-oxy-5,6-di-hydro-[1,3]dioxolo[4,5-g]pyrrolo-[2,1-a]isoquinolin-1-yl)propan-2-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1732","1734","10.1107/S2056989017015110","","","0.71073","MoKα","","0.064","0.0482","","","0.1228","0.133","","","","","","1.03","","","","has coordinates","245930","2020-10-21","18:00:00",""
"2311496","19.4627","0.0004","13.8181","0.0004","7.7343","0.0002","90","","90","","90","","2080.04","0.09","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","catena-Poly[bis(1,2,3-benzotriazolium) [[tetrachloridobismuth(III)]-μ-chlorido] dihydrate]","","- C12 H16 Bi Cl5 N6 O2 -","- C12 H16 Bi Cl5 N6 O2 -","- C48 H64 Bi4 Cl20 N24 O8 -","4","0.5","","Boukoum, Chaima; Aloui, Zouhaier; Ferretti, Valeria; Abid, Sonia","Synthesis, crystal structure and Hirshfeld surface analysis of a polymeric bis-muthate(III) halide complex, (C6H6N3)2[BiCl5]·2H2O.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1759","1763","10.1107/S2056989017015134","","","0.71073","MoKα","","0.0384","0.038","","","0.0953","0.0955","","","","","","1.111","","","","has coordinates","245931","2020-10-21","18:00:00",""
"2311497","7.2449","0.0011","9.6102","0.0014","17.196","0.003","98.58","0.002","94.54","0.002","103.409","0.002","1143.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","N,N,N',N'-Tetrakis(2-methylpropyl)disulfane-1,2-dicarbothioamide","","- C18 H36 N2 S4 -","- C18 H36 N2 S4 -","- C36 H72 N4 S8 -","2","1","LH5851","Fontenot, Patricia R.; Wang, Bo; Chen, Yueli; Donahue, James P.","Crystal structure of tetra-iso-butyl-thiuram di-sulfide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1764","1769","10.1107/S2056989017015158","","","0.71073","MoKα","","0.0716","0.0516","","","0.1347","0.1462","","","","","","1.071","","","","has coordinates","245932","2020-10-21","18:00:00",""
"2311498","12.3538","0.0006","18.7727","0.001","23.4056","0.0012","90","","90","","90","","5428.1","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(Dimethylamino)pyridine‒4-methoxyphenylborane (1/1)","","- C14 H19 B N2 O -","- C14 H19 B N2 O -","- C224 H304 B16 N32 O16 -","16","2","LH5853","Shooter, Jesse; Allen, Caleb J.; Tinsley, Colby W. K.; Zakharov, Lev N.; Abbey, Eric R.","Crystal structure and Hirshfield analysis of the 4-(di-methyl-amino)-pyridine adduct of 4-meth-oxy-phenyl-borane.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1747","1750","10.1107/S2056989017015171","","","1.54178","CuKα","","0.0569","0.0467","","","0.1327","0.1443","","","","","","1.084","","","","has coordinates","245933","2020-10-21","18:00:00",""
"2311499","7.9407","0.0014","12.293","0.002","18.0684","0.0019","90","","90","","90","","1763.7","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trisodium Zinc Cadmium Pentaborate","Trisodium zinc cadmium pentaborate","","- B5 Cd0.09 Na3 O10 Zn0.91 -","- B5 Cd0.088 Na3 O10 Zn0.912 -","- B40 Cd0.704 Na24 O80 Zn7.296 -","8","1","WM5422","Chen, Xue-An; Zhang, Ya-Hua; Chang, Xin-An; Xiao, Wei-Qiang","Crystal structures of the solid solutions Na3Zn0.912Cd0.088B5O10 and Na3Zn0.845Mg0.155B5O10.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1774","1778","10.1107/S2056989017015249","","","0.71073","MoKα","","0.0943","0.0374","","","0.0673","0.0723","","","","","","0.911","","","","has coordinates","245935","2020-10-21","18:00:00",""
"2311500","7.8931","0.0012","12.2555","0.0012","18.0874","0.0011","90","","90","","90","","1749.7","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trisodium Zinc Magnesium Pentaborate","Trisodium zinc magnesium pentaborate","","- B5 Mg0.155 Na3 O10 Zn0.845 -","- B5 Mg0.155 Na3 O10 Zn0.845 -","- B40 Mg1.24 Na24 O80 Zn6.76 -","8","1","WM5422","Chen, Xue-An; Zhang, Ya-Hua; Chang, Xin-An; Xiao, Wei-Qiang","Crystal structures of the solid solutions Na3Zn0.912Cd0.088B5O10 and Na3Zn0.845Mg0.155B5O10.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1774","1778","10.1107/S2056989017015249","","","0.71073","MoKα","","0.109","0.0441","","","0.1047","0.113","","","","","","0.872","","","","has coordinates","245935","2020-10-21","18:00:00",""
"2311501","19","0.007","7.382","0.003","20.212","0.007","90","","114.271","0.005","90","","2584.3","1.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate","","- C24 H25.5 N6 O9.5 -","- C24 H25.5 N6 O9.5 -","- C96 H102 N24 O38 -","4","1","PK2607","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Crystal structure of 2,3,5,6-tetra-kis-(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1793","1796","10.1107/S2056989017015328","","","0.71073","MoKα","","0.1016","0.0897","","","0.185","0.1908","","","","","","1.168","","","","has coordinates,has disorder","245936","2020-10-21","18:00:00",""
"2311502","6.5825","0.0005","9.0574","0.0012","13.9842","0.0012","74.214","0.001","84.69","0.002","82.303","0.001","793.69","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ~3~-3-carboxybenzoato)[μ~2~-5-(pyridin-4-yl)-1H,2'H-3,3'-bi[1,2,4-triazole]]cobalt(II)]","","- C17 H11 Co N7 O4 -","- C17 H11 Co N7 O4 -","- C34 H22 Co2 N14 O8 -","2","1","KQ2016","Du, Chao-Jun; Zhao, Xiao-Na; Chen, Bao-Yong","Synthesis and crystal structure of a two-dimensional CoII coordination polymer: poly[(μ3-3-carb-oxy-benzoato)[μ2-5-(pyridin-4-yl)-1H,2'H-3,3'-bi[1,2,4-triazole]]cobalt(II)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1779","1781","10.1107/S205698901701533X","","","0.71073","MoKα","","0.1049","0.0608","","","0.0895","0.1126","","","","","","1.093","","","","has coordinates","245937","2020-10-21","18:00:00",""
"2311503","8.5922","0.0003","9.1285","0.0003","21.5629","0.0006","90","","96.754","0.001","90","","1679.53","0.09","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Poly[bis{μ~2~-1-[2-(cyclohexylsulfanyl)ethyl]pyridin-2(1H)-one}tetra-μ~3~-iodidotetracopper(I)]","","- C26 H38 Cu4 I4 N2 O2 S2 -","- C26 H38 Cu4 I4 N2 O2 S2 -","- C52 H76 Cu8 I8 N4 O4 S4 -","2","1","","Park, Hyunjin; Kim, Jineun; Im, Hansu; Kim, Tae Ho","A two-dimensional copper(I) coordination polymer based on 1-[2-(cyclo-hexyl-sulfan-yl)eth-yl]pyridin-2(1H)-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1782","1785","10.1107/S2056989017015377","","","0.71073","MoKα","","0.0323","0.0313","","","0.0714","0.0722","","","","","","1.101","","","","has coordinates","245938","2020-10-21","18:00:00",""
"2311504","10.3615","0.0003","13.8916","0.0006","20.2121","0.0008","90","","90","","90","","2909.29","0.19","295","2","295","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-1-(3-phenoxypropyl)pyridinium bromide","","- C15 H18 Br N O -","- C15 H18 Br N O -","- C120 H144 Br8 N8 O8 -","8","1","","Said, Musa A.; Aouad, Mohamed R.; Hughes, David L.; Almehmadi, Meshal A.; Messali, Mouslim","Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen-oxy-prop-yl)pyridinium bromide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1831","1834","10.1107/S2056989017015481","","","0.71073","Mo-Kα","","0.0561","0.045","","","0.0827","0.0865","","","","","","1.199","","","","has coordinates","245939","2020-10-21","18:00:00",""
"2311505","8.8","0.0018","9.661","0.0019","15.369","0.003","75.68","0.03","85.44","0.03","83.68","0.03","1256.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 3,3'-[(2-fluorophenyl)methylidene]bis(1H-indole-2-carboxylate)","","- C29 H25 F N2 O4 -","- C29 H25 F N2 O4 -","- C58 H50 F2 N4 O8 -","2","1","XU5908","Lu, Xin-Hua; Sun, Hong-Shun; Cai, Yuan; Chen, Lu-Lu; Chen, Yang-Feng","Crystal structure of diethyl 3,3'-[(2-fluoro-phen-yl)methyl-idene]bis-(1H-indole-2-carboxyl-ate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1790","1792","10.1107/S2056989017015523","","","0.71073","MoKα","","0.1222","0.0689","","","0.1622","0.1859","","","","","","1","","","","has coordinates","245940","2020-10-21","18:00:00",""
"2311506","13.6751","0.0006","16.0733","0.0007","19.5889","0.0009","98.6919","0.0018","109.424","0.0016","90.5484","0.0016","4005.8","0.3","105","2","105","2","","","","","","","","3","P -1","-P 1","2","","(η^5^,η^1^-Adamantylidenepentafulvene)bis(η^5^-cyclopentadienyl)zirconium(IV)‒toluene‒n-hexane (8/1/1)","","- C26.62 H30.75 Zr -","- C26.625 H30.75 Zr -","- C213 H246 Zr8 -","8","4","WM5418","Fischer, Malte; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structure of the formal 20 electron zirconocene penta-fulvene complex Cp2Zr(η5,η1-adamantyl-idene-penta-fulvene):toluene:n-hexane = 1:0.125:0.125.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1823","1826","10.1107/S2056989017015560","","","0.71073","MoKα","","0.0767","0.0439","","","0.0957","0.11","","","","","","1.013","","","","has coordinates,has disorder","245941","2020-10-21","18:00:00",""
"2311507","10.914","0.0004","12.1104","0.0005","12.2394","0.0005","95.62","0.002","116.098","0.002","114.545","0.002","1241.05","0.1","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","Bis(μ~2~-4-bromo-2-[({2-[({2-[(5-bromo-2-oxidobenzylidene)amino]ethyl}sulfanyl)sulfonyl]ethyl}imino)methyl]phenolato)dicopper(II) dimethylformamide disolvate","","- C42 H46 Br4 Cu2 N6 O10 S4 -","- C42 H46 Br4 Cu2 N6 O10 S4 -","- C42 H46 Br4 Cu2 N6 O10 S4 -","1","0.5","LH5856","Rusanova, Julia A.; Bederak, Dmytro","Crystal structure of bis(μ2-4-bromo-2-[({2-[({2-[(5-bromo-2-oxidobenzylidene)amino]ethyl}sulfanyl)sulfonyl]ethyl}imino)methyl]phenolato)dicopper(II) dimethylformamide disolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1797","1800","10.1107/S2056989017015584","","","0.71073","MoKα","","0.1343","0.0588","","","0.1083","0.1349","","","","","","0.971","","","","has coordinates","245942","2020-10-21","18:00:00",""
"2311508","8.8965","0.0002","18.0995","0.0004","19.0103","0.0006","90","","94.572","0.002","90","","3051.34","0.14","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Poly[[aqua{μ~4~-2,2'-[(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(methylidene)]bis(4-oxo-4H-pyran-3-olato)}perchloratocobaltbarium] perchlorate]","","- C22 H30 Ba Cl2 Co N4 O15 -","- C22 H30 Ba Cl2 Co N4 O15 -","- C88 H120 Ba4 Cl8 Co4 N16 O60 -","4","1","BQ2404","Paoli, Paola; Macedi, Eleonora; Rossi, Patrizia; Giorgi, Luca; Formica, Mauro; Fusi, Vieri","Crystal structure of the BaII-based CoII-containing one-dimensional coordination polymer poly[[aqua{μ4-2,2'-[(4,10-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane-1,7-di-yl)bis(methylidene)]bis-(4-oxo-4H-pyran-3-olato)}-perchloratocobaltbarium] perchlorate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1806","1811","10.1107/S2056989017015638","","","0.71073","MoKα","","0.062","0.0411","","","0.0894","0.1031","","","","","","1.057","","","","has coordinates,has disorder","245943","2020-10-21","18:00:00",""
"2311509","12.19","0.006","5.972","0.003","38.17","0.02","90","","98.013","0.01","90","","2752","2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E,2'E)-3,3'-(1,4-Phenylene)bis[1-(2,4-difluorophenyl)prop-2-en-1-one]","","- C24 H14 F4 O2 -","- C24 H14 F4 O2 -","- C144 H84 F24 O12 -","6","1.5","HB7696","Kwong, Huey Chong; Sim, Aijia; Chidan Kumar, C. S.; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of (2E,2'E)-3,3'-(1,4-phenyl-ene)bis-[1-(2,4-di-fluoro-phen-yl)prop-2-en-1-one].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1812","1816","10.1107/S205698901701564X","","","0.71073","MoKα","","0.1193","0.0763","","","0.1874","0.2329","","","","","","1.088","","","","has coordinates","245944","2020-10-21","18:00:00",""
"2311510","18.31","0.008","5.2661","0.001","9.2792","0.001","90","","96.07","0.004","90","","889.7","0.4","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","(1S,2R)-(+)-2-Amino-1,2-diphenylethanol, L-(S)-Aspartic acid, monohydrate","(1S,2R)-2-Hydroxy-1,2-diphenylethan-1-aminium (S)-2-azaniumylbutanedioate monohydrate","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","1","SU5398","Fujii, Isao","Crystal structure of (1S,2R)-2-hy-droxy-1,2-di-phenyl-ethan-1-aminium (S)-2-aza-niumyl-butane-dioate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1827","1830","10.1107/S2056989017015729","","","1.54178","CuKα","","0.0316","0.0282","","","0.0759","0.0788","","","","","","1.059","","","","has coordinates","245945","2020-10-21","18:00:00",""
"2311511","9.776","0.002","15.939","0.003","17.581","0.004","90","","101.94","0.03","90","","2680.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl 3,3'-[(2,4-dichlorophenyl)methylidene]bis(1H-indole-2-carboxylate)","","- C29 H24 Cl2 N2 O4 -","- C29 H24 Cl2 N2 O4 -","- C116 H96 Cl8 N8 O16 -","4","1","SJ5539","Li, Yu-Long; Sun, Hong-Shun; Jiang, Hong; Chen, Yu-Liang; Chen, Yang-Feng","Crystal structure of diethyl 3,3'-[(2,4-di-chloro-phen-yl)methyl-idene]bis-(1H-indole-2-carboxyl-ate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1817","1819","10.1107/S2056989017015730","","","0.71073","MoKα","","0.1192","0.0666","","","0.1653","0.1918","","","","","","1","","","","has coordinates","245946","2020-10-21","18:00:00",""
"2311512","9.9916","0.0005","11.7805","0.0006","11.9776","0.0006","88.809","0.004","79.159","0.004","67.245","0.005","1274.8","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-[6-Amino-5-(benzo[d]thiazol-2-yl)-3-cyano-4-methylsulfanyl-2-oxo-1,2-dihydropyridin-1-yl]-4-methylbenzenesulfonamide dimethylformamide monosolvate","","- C24 H24 N6 O4 S3 -","- C24 H24 N6 O4 S3 -","- C48 H48 N12 O8 S6 -","2","1","HG5500","Azzam, Rasha A.; Elgemeie, Galal H.; Elsayed, Rasha E.; Jones, Peter G.","Crystal structure of N-[6-amino-5-(benzo[d]thia-zol-2-yl)-3-cyano-4-methyl-sulfanyl-2-oxo-1,2-di-hydro-pyridin-1-yl]-4-methyl-benzene-sulfonamide di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1820","1822","10.1107/S2056989017015778","","","0.71073","MoKα","","0.0401","0.033","","","0.0785","0.0824","","","","","","1.04","","","","has coordinates","245947","2020-10-21","18:00:00",""
"2311513","13.856","0.001","14.909","0.002","16.357","0.002","63.224","0.002","73.137","0.002","88.093","0.002","2868.2","0.6","190","2","190","2","","","","","","","","8","P -1","-P 1","2","","Nitrosonium tetrafluoridoborate–5,11,17,23-tetramethyl-6,10:12,16:18,22:24,4-tetrakis(phenylphosphonato-κ^2^O,O)resorcin(4)arene–dichloromethane (1/1/1)","","- C57 H46 B Cl2 F4 N O13 P4 -","- C56 H44 B F4 N O13 P4 -","- C112 H88 B2 F8 N2 O26 P8 -","2","1","","Pinalli, Roberta; Massera, Chiara","Nitro-sonium complexation by the tetra-phospho-nate cavitand 5,11,17,23-tetra-methyl-6,10:12,16:18,22:24,4-tetra-kis-(phenyl-phospho-nato-κ2O,O)resorcin(4)arene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1801","1805","10.1107/S2056989017015857","","","0.71069","MoKα","","0.067","0.0417","","","0.1188","0.1276","","","","","","1.003","","","","has coordinates,has disorder","279105","2022-11-08","14:41:09",""
"2311514","9.7298","0.0006","11.8643","0.0005","14.4933","0.0007","90","","90","","90","","1673.07","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1S,4S-2,5-diazabicyclo[2.2.1]heptane dihydrobromode","(1S,4S)-2,5-Diazoniabicyclo[2.2.1]heptane dibromide","","- C5 H12 Br2 N2 -","- C5 H12 Br2 N2 -","- C40 H96 Br16 N16 -","8","2","LH5858","Britvin, Sergey N.; Rumyantsev, Andrey M.","Crystal structure of (1S,4S)-2,5-diazo-niabi-cyclo[2.2.1]heptane dibromide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1861","1865","10.1107/S2056989017015870","","","0.71073","MoKα","","0.0147","0.0143","","","0.0351","0.0353","","","","","","1.023","","","","has coordinates","245949","2020-10-21","18:00:00",""
"2311515","7.2599","0.0005","10.5614","0.0005","16.7351","0.0008","78.863","0.004","87.472","0.005","85.238","0.005","1254.13","0.12","295","1","295","1","","","","","","","","4","P -1","-P 1","2","r-1,c-2-Dibenzoyl-t-3,t-4-bis(2-nitrophenyl)cyclobutane","[3,4-Bis(2-nitrophenyl)cyclobutane-1,2-diyl]bis[(phenyl)methanone]","","- C30 H22 N2 O6 -","- C30 H22 N2 O6 -","- C60 H44 N4 O12 -","2","1","EX2002","Velasco Ximello, Manuel; Bernès, Sylvain; Pérez-Benítez, Aarón; Hernández Pareja, Ulises; Mendoza, Angel; Juárez Posadas, Jorge R; Vázquez Bravo, Jaime","Crystal structure of r-1,c-2-dibenzoyl-t-3,t-4-bis-(2-nitro-phen-yl)cyclo-butane.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1866","1870","10.1107/S2056989017015936","","","0.71073","MoKα","","0.0881","0.0533","","","0.1348","0.1642","","","","","","1.037","","","","has coordinates,has disorder","245950","2020-10-21","18:00:00",""
"2311516","4.7354","0.0003","25.9882","0.0017","11.0671","0.0009","90","","102.268","0.007","90","","1330.87","0.17","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Hydroxy-4-propyloxy-9,10-anthraquinone","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","NR2068","Nakagawa, Hidemi; Kitamura, Chitoshi","Crystal structures of 1-hy-droxy-4-prop-yloxy-9,10-anthra-quinone and its acetyl derivative.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1845","1849","10.1107/S2056989017015973","","","0.71073","MoKα","","0.079","0.0471","","","0.1087","0.1227","","","","","","1.024","","","","has coordinates","245951","2020-10-21","18:00:00",""
"2311517","11.773","0.0012","15.514","0.002","8.9609","0.001","90","","111.153","0.008","90","","1526.4","0.3","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Acetyloxy-4-propyloxy-9,10-anthraquinone","","- C19 H16 O5 -","- C19 H16 O5 -","- C76 H64 O20 -","4","1","NR2068","Nakagawa, Hidemi; Kitamura, Chitoshi","Crystal structures of 1-hy-droxy-4-prop-yloxy-9,10-anthra-quinone and its acetyl derivative.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1845","1849","10.1107/S2056989017015973","","","0.71073","MoKα","","0.1579","0.0701","","","0.1454","0.1803","","","","","","0.961","","","","has coordinates","245951","2020-10-21","18:00:00",""
"2311518","14.9527","0.0005","5.5152","0.0002","16.6918","0.0005","90","","114.739","0.002","90","","1250.19","0.07","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-1-{3-[(5-Fluoro-2-hydroxybenzylidene)amino]phenyl}ethanone","","- C15 H12 F N O2 -","- C15 H12 F N O2 -","- C60 H48 F4 N4 O8 -","4","1","SU5402","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of (E)-1-{3-[(5-fluoro-2-hy-droxy-benzyl-idene)amino]-phen-yl}ethanone and of a fourth polymorph of (E)-1-{3-[(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-phen-yl}ethanone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1835","1839","10.1107/S2056989017015985","","","1.54178","CuKα","","0.0677","0.0463","","","0.1076","0.1216","","","","","","1.035","","","","has coordinates","245952","2020-10-21","18:00:00",""
"2311519","19.1904","0.0004","5.33856","0.00012","26.5678","0.0006","90","","90","","90","","2721.85","0.1","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-1-{3-[(2-Hydroxy-3-methoxybenzylidene)amino]phenyl}ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","SU5402","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of (E)-1-{3-[(5-fluoro-2-hy-droxy-benzyl-idene)amino]-phen-yl}ethanone and of a fourth polymorph of (E)-1-{3-[(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-phen-yl}ethanone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1835","1839","10.1107/S2056989017015985","","","1.54184","CuKα","","0.0761","0.0476","","","0.0997","0.1132","","","","","","1.021","","","","has coordinates","245952","2020-10-21","18:00:00",""
"2311520","15.1028","0.001","3.6851","0.0003","17.5689","0.0013","90","","101.871","0.003","90","","956.89","0.12","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-carboxypyridinium) chloranilate dihydrate‒bis(pyridinium-2-carboxylate) chloranilic acid dihydrate (1/1)","","- C18 H16 Cl2 N2 O10 -","- C18 H16 Cl2 N2 O10 -","- C36 H32 Cl4 N4 O20 -","2","0.5","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of two 1:2 dihydrate compounds of chloranilic acid with 2-carb-oxy-pyridine and 2-carb-oxy-quinoline.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1840","1844","10.1107/S2056989017015997","","","0.71075","MoKα","","0.0332","0.0297","","","0.0775","0.0793","","","","","","1.108","","","","has coordinates,has disorder","245953","2020-10-21","18:00:00",""
"2311521","4.4745","0.0002","10.5448","0.0008","13.6111","0.0006","96.652","0.004","94.109","0.003","99.009","0.004","627.37","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","chloranilic acid‒2-carboxyquinoline (1/2) dihydrate","","- C26 H20 Cl2 N2 O10 -","- C26 H20 Cl2 N2 O10 -","- C26 H20 Cl2 N2 O10 -","1","0.5","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of two 1:2 dihydrate compounds of chloranilic acid with 2-carb-oxy-pyridine and 2-carb-oxy-quinoline.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1840","1844","10.1107/S2056989017015997","","","0.71075","MoKα","","0.0722","0.0524","","","0.1388","0.1493","","","","","","1.005","","","","has coordinates","245953","2020-10-21","18:00:00",""
"2311522","11.628","0.011","9.057","0.006","11.525","0.012","90","","101.13","0.08","90","","1190.9","1.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-N-(4-Methoxyphenyl)-2-(4-oxothiazolidin-2-ylidene)acetamide","","- C12 H12 N2 O3 S -","- C12 H12 N2 O3 S -","- C48 H48 N8 O12 S4 -","4","1","","Galushchinskiy, Aleksei; Slepukhin, Pavel; Obydennov, Konstantin","Crystal structures of two (Z)-2-(4-oxo-1,3-thia-zolidin-2-yl-idene)acetamides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1850","1854","10.1107/S2056989017016061","","","1.54184","CuKα","","0.0559","0.0429","","","0.1023","0.1045","","","","","","1.01","","","","has coordinates","245954","2020-10-21","18:00:00",""
"2311523","9.974","0.0004","11.2175","0.0004","9.3155","0.0004","90","","100.389","0.004","90","","1025.16","0.07","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-[2-(Morpholin-4-yl)-2-oxoethylidene]thiazolidin-4-one","","- C9 H12 N2 O3 S -","- C9 H12 N2 O3 S -","- C36 H48 N8 O12 S4 -","4","1","","Galushchinskiy, Aleksei; Slepukhin, Pavel; Obydennov, Konstantin","Crystal structures of two (Z)-2-(4-oxo-1,3-thia-zolidin-2-yl-idene)acetamides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1850","1854","10.1107/S2056989017016061","","","0.7107","MoKα","","0.0617","0.0461","","","0.1374","0.1543","","","","","","1.005","","","","has coordinates","245954","2020-10-21","18:00:00",""
"2311524","6.9341","0.0008","8.9597","0.0013","12.303","0.0016","110.217","0.005","91.06","0.005","93.28","0.005","715.49","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[[di-μ~3~-acetato-tetraaquabis(μ~2~-cyclohexane-1,4-dicarboxylato)dilanthanum(III)] dihydrate]","","- C20 H38 La2 O18 -","- C20 H38 La2 O18 -","- C20 H38 La2 O18 -","1","0.5","VN2132","Drisya, R.; Mol, U. S. Soumya; Chandran, P. R. Satheesh; Sithambaresan, M.; Sudarsankumar, M. R.","Crystal structure of poly[[di-μ3-acetato-tetra-aqua-bis-(μ2-cyclo-hexane-1,4-di-carboxyl-ato)dilanth-an-um(III)] dihydrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1926","1930","10.1107/S2056989017016103","","","0.71073","MoKα","","0.0733","0.041","","","0.1134","0.1455","","","","","","1.068","","","","has coordinates","245955","2020-10-21","18:00:00",""
"2311525","5.7981","0.0012","7.0938","0.0014","9.817","0.002","109.75","0.03","100.42","0.03","98.4","0.03","364.28","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Barium dimanganese(II) bis(arsenate)","","- As2 Ba Mn2 O8 -","- As2 Ba Mn2 O8 -","- As4 Ba2 Mn4 O16 -","2","1","WM5420","Alcantar, Salvador; Ledbetter, Hollis R.; Ranmohotti, Kulugammana G. S.","Crystal structure of BaMn2(AsO4)2 containing discrete [Mn4O18]28- units.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1855","1860","10.1107/S2056989017016152","","","0.71073","MoKα","","0.0407","0.0385","","","0.0951","0.0968","","","","","","1.144","","","","has coordinates","245956","2020-10-21","18:00:00",""
"2311526","11.594","0.004","17.072","0.005","4.4739","0.0012","90","","90","","90","","885.5","0.5","150.01","","150.01","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","Poly[[μ~3~-(S)-2-amino-3-hydroxypropanoato]-cis-di-μ-chlorido-caesiumpalladium(II)]","","- C3 H6 Cl2 Cs N O3 Pd -","- C3 H6 Cl2 Cs N O3 Pd -","- C12 H24 Cl8 Cs4 N4 O12 Pd4 -","4","1","IM2483","Bhadbhade, Mohan Madhav; Charlson, Alexander J.","Crystal structure of poly[[μ3-(S)-2-amino-3-hydroxy-propano-ato]-cis-di-μ-chlorido-caesium-palladium(II)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1898","1902","10.1107/S2056989017016164","","","0.71073","MoKα","","0.0642","0.0387","","","0.0655","0.0758","","","","","","0.834","","","","has coordinates","245957","2020-10-21","18:00:00",""
"2311527","10.4724","0.0011","13.1128","0.0014","10.8914","0.0012","90","","100.117","0.0018","90","","1472.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[dichloridomercury(II)]-μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^N:N']","","- C12 H12 Cl2 Hg N2 S -","- C12 H12 Cl2 Hg N2 S -","- C48 H48 Cl8 Hg4 N8 S4 -","4","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","A one-dimensional HgII coordination polymer based on bis-(pyridin-3-ylmeth-yl)sulfane.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1871","1874","10.1107/S205698901701619X","","","0.71073","MoKα","","0.0536","0.0328","","","0.0694","0.0761","","","","","","1.027","","","","has coordinates","245958","2020-10-21","18:00:00",""
"2311528","5.2171","0.0009","8.9249","0.0016","15.309","0.003","105.289","0.008","94.523","0.008","93.295","0.009","683.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Aqua(1H-pyrazole-κN^2^)(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)copper(II) dihydrate","","- C10 H13 Cu N3 O7 -","- C10 H13 Cu N3 O7 -","- C20 H26 Cu2 N6 O14 -","2","1","IS5480","Kim, Daeyoung; Kang, Sung Kwon","Crystal structure of aqua-(1H-pyrazole-κN2)(pyridine-2,6-di-carboxyl-ato-κ3O2,N,O6)copper(II) dihydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1875","1877","10.1107/S2056989017016231","","","0.71073","MoKα","","0.0372","0.0349","","","0.0874","0.0883","","","","","","1.153","","","","has coordinates","245959","2020-10-21","18:00:00",""
"2311529","14.3999","0.0005","7.0388","0.0003","19.9725","0.0007","90","","91.727","0.003","90","","2023.45","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(3-Methylphenyl)ethoxycarbothioamide","","- C10 H13 N O S -","- C10 H13 N O S -","- C80 H104 N8 O8 S8 -","8","2","HB7715","Jotani, Mukesh M.; Yeo, Chien Ing; Tiekink, Edward R. T.","A new monoclinic polymorph of N-(3-methyl-phen-yl)eth-oxy-carbo-thio-amide: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1889","1897","10.1107/S2056989017016280","","","0.71073","MoKα","","0.0666","0.0473","","","0.1147","0.1247","","","","","","1.034","","","","has coordinates","245960","2020-10-21","18:00:00",""
"2311530","12.8126","0.0007","7.0224","0.0003","12.8169","0.0006","90","","117.207","0.003","90","","1025.61","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(1E)-({1-(3-Chlorophenyl)-2-[(E)-(2-hydroxybenzylidene)amino]propyl}imino)methyl]phenol","","- C23 H21 Cl N2 O2 -","- C23 H21 Cl N2 O2 -","- C46 H42 Cl2 N4 O4 -","2","1","ZQ2239","Gayathri, A.; Rajeswari, K.; Vidhyasagar, T.; Selvanayagam, S.","Crystal structures of salen-type ligands 2-[(1E)-({1-(3-chloro-phen-yl)-2-[(E)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol and 2-[(1E)-({1-(4-chloro-phen-yl)-2-[(E)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1878","1881","10.1107/S2056989017016292","","","0.71073","MoKα","","0.1121","0.0439","","","0.0717","0.0873","","","","","","0.982","","","","has coordinates","245961","2020-10-21","18:00:00",""
"2311531","6.7923","0.0002","20.8261","0.0008","14.1744","0.0006","90","","92.435","0.002","90","","2003.26","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(1E)-({1-(4-Chlorophenyl)-2-[(E)-(2-hydroxybenzylidene)amino]propyl}imino)methyl]phenol","","- C23 H21 Cl N2 O2 -","- C23 H21 Cl N2 O2 -","- C92 H84 Cl4 N8 O8 -","4","1","ZQ2239","Gayathri, A.; Rajeswari, K.; Vidhyasagar, T.; Selvanayagam, S.","Crystal structures of salen-type ligands 2-[(1E)-({1-(3-chloro-phen-yl)-2-[(E)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol and 2-[(1E)-({1-(4-chloro-phen-yl)-2-[(E)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1878","1881","10.1107/S2056989017016292","","","0.71073","MoKα","","0.0951","0.0471","","","0.11","0.1402","","","","","","1.076","","","","has coordinates","245961","2020-10-21","18:00:00",""
"2311532","20.9091","0.0015","15.7423","0.0007","19.8734","0.0016","90","","112.451","0.006","90","","6045.7","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(tetra-n-butylammonium) dichloride decachlorocyclopentasilane dichloromethane disolvate","","- C34 H76 Cl16 N2 Si5 -","- C34 H76 Cl16 N2 Si5 -","- C136 H304 Cl64 N8 Si20 -","4","0.5","HB7717","Moxter, Maximilian; Teichmann, Julian; Lerner, Hans-Wolfram; Bolte, Michael; Wagner, Matthias","Deca-chloro-cyclo-penta-silanes coordinated by pairs of chloride anions, with different cations, but the same solvent mol-ecules.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1903","1907","10.1107/S2056989017016310","","","0.71073","MoKα","","0.1298","0.1033","","","0.1884","0.199","","","","","","1.153","","","","has coordinates","245962","2020-10-21","18:00:00",""
"2311533","10.3596","0.0004","13.9612","0.0005","16.0205","0.0006","89.959","0.003","72.484","0.003","79.534","0.003","2169.29","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetraethylammonium) dichloride decachlorocyclopentasilane dichloromethane disolvate","","- C18 H44 Cl16 N2 Si5 -","- C18 H44 Cl16 N2 Si5 -","- C36 H88 Cl32 N4 Si10 -","2","1","HB7717","Moxter, Maximilian; Teichmann, Julian; Lerner, Hans-Wolfram; Bolte, Michael; Wagner, Matthias","Deca-chloro-cyclo-penta-silanes coordinated by pairs of chloride anions, with different cations, but the same solvent mol-ecules.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1903","1907","10.1107/S2056989017016310","","","0.71073","MoKα","","0.0525","0.0483","","","0.1268","0.1308","","","","","","1.078","","","","has coordinates,has disorder","245962","2020-10-21","18:00:00",""
"2311534","14.6731","0.0005","14.6731","0.0005","3.9727","0.0001","90","","90","","90","","855.32","0.05","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","RCN","3,5-Dibromo-4-methylbenzonitrile","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C32 H20 Br8 N4 -","4","0.5","LH5859","Noland, Wayland E.; Shudy, Jessica E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J.","Crystal structures of 2,6-di-bromo-4-methyl-benzo-nitrile and 2,6-di-bromo-4-methyl-phenyl isocyanide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1913","1916","10.1107/S2056989017016395","","","1.54178","CuKα","","0.0201","0.0201","","","0.0571","0.0571","","","","","","1.27","","","","has coordinates","245963","2020-10-21","18:00:00",""
"2311535","14.69","0.005","14.69","0.005","4.0703","0.0015","90","","90","","90","","878.4","0.5","173","2","173","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","RNC","2,6-Dibromo-4-methylphenyl isocyanide","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C32 H20 Br8 N4 -","4","0.5","","Noland, Wayland E.; Shudy, Jessica E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J.","Crystal structures of 2,6-di-bromo-4-methyl-benzo-nitrile and 2,6-di-bromo-4-methyl-phenyl isocyanide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1913","1916","10.1107/S2056989017016395","","","0.71073","MoKα","","0.0267","0.0232","","","0.05","0.0508","","","","","","1.141","","","","has coordinates","245963","2020-10-21","18:00:00",""
"2311536","21.577","0.011","3.5533","0.0018","16.096","0.008","90","","90","","90","","1234.1","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1H-Imidazol-3-ium 2,4,6-trinitrophenolate monohydrate","","- C9 H9 N5 O8 -","- C9 H9 N5 O8 -","- C36 H36 N20 O32 -","4","1","LH5861","Liu, Ling-Li","Stoichiometric and polymorphic salt of imidazolium picrate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1885","1888","10.1107/S2056989017016401","","","0.71073","MoKα","","0.0429","0.0346","","","0.0817","0.0863","","","","","","1.036","","","","has coordinates","245964","2020-10-21","18:00:00",""
"2311537","11.419","0.002","13.363","0.002","12.119","0.002","90","","106.226","0.004","90","","1775.6","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Poly[[dichloridobis(methanol-κO)cobalt(II)]-μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^N:N']","","- C14 H20 Cl2 Co N2 O2 S -","- C14 H20 Cl2 Co N2 O2 S -","- C56 H80 Cl8 Co4 N8 O8 S4 -","4","0.5","","Moon, Suk-Hee; Seo, Joobeom; Park, Ki-Min","Crystal structure of a zigzag CoII coordination polymer: catena-poly[[di-chlorido-bis-(methanol-κO)cobalt(II)]-μ-bis-(pyridin-3-ylmeth-yl)sulfane-κ2N:N'].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1882","1884","10.1107/S2056989017016449","","","0.71073","MoKα","","0.1278","0.0467","","","0.0772","0.0951","","","","","","0.919","","","","has coordinates","245965","2020-10-21","18:00:00",""
"2311538","19.5319","0.0004","26.6614","0.0004","19.8681","0.0003","90","","90","","90","","10346.3","0.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(3,5-diisopropyl-1H-pyrazole)[hydrotris(3,5-diisopropylpyrazolyl)borato]iodidoeuropium(II)","","- C45 H78 B Eu I N10 -","- C45 H78 B Eu I N10 -","- C360 H624 B8 Eu8 I8 N80 -","8","1","ZL2718","Liebing, Phil; Kühling, Marcel; Takats, Josef; Hilfert, Liane; Edelmann, Frank T.","Formation and structural characterization of a europium(II) mono(scorpionate) complex and a sterically crowded pyraza-bole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1921","1925","10.1107/S2056989017016498","","","0.71073","MoKα","","0.0455","0.0313","","","0.0592","0.0631","","","","","","1.04","","","","has coordinates,has disorder","245966","2020-10-21","18:00:00",""
"2311539","25.7646","0.0011","11.2134","0.0003","15.0968","0.0007","90","","118.792","0.003","90","","3822.4","0.3","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","trans-4,8-Bis(3,5-diisopropylpyrazoly-1-yl)-1,3,5,7-tetraisopropylpyrazabole","","- C36 H62 B2 N8 -","- C36 H62 B2 N8 -","- C144 H248 B8 N32 -","4","0.5","","Liebing, Phil; Kühling, Marcel; Takats, Josef; Hilfert, Liane; Edelmann, Frank T.","Formation and structural characterization of a europium(II) mono(scorpionate) complex and a sterically crowded pyraza-bole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1921","1925","10.1107/S2056989017016498","","","0.71073","MoKα","","0.065","0.0435","","","0.096","0.1038","","","","","","1.021","","","","has coordinates,has disorder","245966","2020-10-21","18:00:00",""
"2311540","8.7271","0.0006","11.6521","0.0004","12.54","0.0008","90","","96.539","0.002","90","","1266.88","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Buthalital (Bayinal, Baytinal, Thialbutal, Transithal, Ulbreval)","5-(2-Methylpropyl)-5-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione","","- C11 H16 N2 O2 S -","- C11 H16 N2 O2 S -","- C44 H64 N8 O8 S4 -","4","1","DX2002","Gelbrich, Thomas; Griesser, Ulrich J.","Buthalital and methitural - 5,5-substituted derivatives of 2-thio-barbituric acid forming the same type of hydrogen-bonded chain.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1908","1912","10.1107/S205698901701653X","","","0.71073","MoKα","","0.0736","0.0452","","","0.0968","0.1076","","","","","","1.042","","","","has coordinates","245967","2020-10-21","18:00:00",""
"2311541","15.1873","0.0002","9.092","0.0001","20.8684","0.0003","90","","96.083","0.001","90","","2865.34","0.06","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Methitural (Neraval, Thiogenal)","5-(1-Methylbutyl)-5-[2-(methylsulfanyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","- C12 H20 N2 O2 S2 -","- C12 H20 N2 O2 S2 -","- C96 H160 N16 O16 S16 -","8","1","DX2002","Gelbrich, Thomas; Griesser, Ulrich J.","Buthalital and methitural - 5,5-substituted derivatives of 2-thio-barbituric acid forming the same type of hydrogen-bonded chain.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1908","1912","10.1107/S205698901701653X","","","0.71073","MoKα","","0.0417","0.0384","","","0.0818","0.0836","","","","","","1.142","","","","has coordinates","245967","2020-10-21","18:00:00",""
"2311542","8.8803","0.0007","10.0871","0.0008","11.7586","0.001","97.298","0.002","98.464","0.002","98.234","0.002","1019.21","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","cis-1-Phenyl-8-(pyridin-2-ylmethyl)dibenzo[1,2-c:2,1-h]-2,14-dioxa-8-aza-1-borabicyclo[4.4.0]deca-3,8-diene","","- C26 H23 B N2 O2 -","- C26 H23 B N2 O2 -","- C52 H46 B2 N4 O4 -","2","1","RZ5224","Ledesma, Gabriela; Signorella, Sandra; Back, Davi; Schulz Lang, Ernesto","Crystal structure of cis-1-phenyl-8-(pyridin-2-ylmeth-yl)dibenzo[1,2-c:2,1-h]-2,14-dioxa-8-aza-1-borabi-cyclo-[4.4.0]deca-3,8-diene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1917","1920","10.1107/S2056989017016553","","","0.71073","MoKα","","0.1478","0.0591","","","","0.1153","","","","","","0.924","","","","has coordinates","245968","2020-10-21","18:00:00",""
"2311543","13.5411","0.0004","7.7421","0.0002","19.2457","0.0005","90","","130.493","0.002","90","","1534.4","0.09","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,6,6-Trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-aminium chloride","","- C15 H19 Cl N4 O -","- C15 H19 Cl N4 O -","- C60 H76 Cl4 N16 O4 -","4","1","EB2002","Mishnev, Anatoly; Mengots, Alvis; Turks, Māris","Crystal structure of 3,6,6-trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetra-hydro-1H-indazol-7-aminium chloride and its monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1931","1936","10.1107/S205698901701667X","","","0.71073","MoKα","","0.0623","0.0427","","","0.093","0.1012","","","","","","1.032","","","","has coordinates","245969","2020-10-21","18:00:00",""
"2311544","10.1855","0.0002","7.4951","0.0002","20.7961","0.0004","90","","100.545","0.001","90","","1560.79","0.06","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,6,6-Trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-aminium chloride monohydrate","","- C15 H21 Cl N4 O2 -","- C15 H21 Cl N4 O2 -","- C60 H84 Cl4 N16 O8 -","4","1","EB2002","Mishnev, Anatoly; Mengots, Alvis; Turks, Māris","Crystal structure of 3,6,6-trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetra-hydro-1H-indazol-7-aminium chloride and its monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1931","1936","10.1107/S205698901701667X","","","0.71073","MoKα","","0.0529","0.0387","","","0.0941","0.1022","","","","","","1.059","","","","has coordinates","245969","2020-10-21","18:00:00",""
"2311545","8.9799","0.0004","8.9799","0.0004","32.555","0.003","90","","90","","90","","2625.2","0.3","100","2","100","2","","","","","","","","7","I -4","I -4","82","","Bis{μ~2~-2,2'-[(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(methylene)]bis(4-oxo-4H-pyran-3-olato)}dicobaltcalcium bis(perchlorate) 1.36-hydrate","","- C44 H60 Ca Cl2 Co2 N8 O21.36 -","- C44 H60 Ca Cl2 Co2 N8 O21.36 -","- C88 H120 Ca2 Cl4 Co4 N16 O42.72 -","2","0.25","XI2003","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Giorgi, Luca; Formica, Mauro; Fusi, Vieri","Crystal structure of bis-{μ2-2,2'-[(4,10-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane-1,7-di-yl)bis(meth-yl-ene)]bis-(4-oxo-4H-pyran-3-olato)}dicobalt-calcium bis-(perchlorate) 1.36-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1959","1965","10.1107/S2056989017016693","","","0.71073","MoKα","","0.0888","0.0427","","","0.073","0.0814","","","","","","0.858","","","","has coordinates","245970","2020-10-21","18:00:00",""
"2311546","12.5753","0.0002","14.4054","0.0003","14.8668","0.0003","117.068","0.0005","101.934","0.0006","97.2102","0.0006","2270.58","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","mer-Tris{2,6-difluoro-3-[5-(2-fluorophenyl)pyridin-2-yl-κN]pyridin-4-yl-κC^4^}iridium(III) dichloromethane hemisolvate n-hexane hemisolvate","","- C54.5 H41 Cl F6 Ir N6 -","- C54.5 H41 Cl F6 Ir N6 -","- C109 H82 Cl2 F12 Ir2 N12 -","2","1","","Kang, Youngjin; Park, Ki-Min; Kim, Jinho","Crystal structure of mer-tris-{2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)pyridin-2-yl-κN]pyridin-4-yl-κC4}iridium(III) di-chloro-methane hemisolvate n-hexane hemisolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1952","1955","10.1107/S2056989017016759","","","0.71073","MoKα","","0.0342","0.0302","","","0.0778","0.0801","","","","","","1.038","","","","has coordinates","245971","2020-10-21","18:00:00",""
"2311547","12.9597","0.0012","31.548","0.003","3.8219","0.0004","90","","90","","90","","1562.6","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O6 -","- C20 H14 O6 -","- C80 H56 O24 -","4","0.5","SU5407","Solomos, Marina A.; Bertke, Jeffery A.; Swift, Jennifer A.","Crystal structure of a di-aryl carbonate: 1,3-phenyl-ene bis-(phenyl carbonate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1942","1945","10.1107/S2056989017016772","","","0.71073","MoKα","","0.0476","0.0395","","","0.0891","0.0925","","","","","","1.164","","","","has coordinates","245972","2020-10-21","18:00:00",""
"2311548","6.689","0.005","13.809","0.005","10.62","0.005","90","","101.271","0.005","90","","962","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,2':6',2''-Terpyridine-1,1',1''-triium tetrachloridonickelate(II) chloride","","","- C15 H14 Cl5 N3 Ni -","- C15 H14 Cl5 N3 Ni -","- C30 H28 Cl10 N6 Ni2 -","2","1","ZS2392","Zeghouan, Ouahida; Bendjeddou, Lamia; Merazig, Hocine; Daran, Jean Claude","Crystal structure, thermal and fluorescence properties of 2,2':6',2''-terpyridine-1,1',1''-triium tetra-chlorido-nickelate(II) chloride.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1937","1941","10.1107/S2056989017016784","","","0.71073","MoKα","","0.0899","0.0585","","","0.1309","0.1495","","","","","","1.148","","","","has coordinates","245973","2020-10-21","18:00:00",""
"2311549","7.867","0.001","10.34","0.001","10.997","0.002","84.96","0.01","75.46","0.01","81.13","0.01","854.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(E)-N-{2-[2-(2-Chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H16 Cl N3 O3 S -","- C16 H16 Cl N3 O3 S -","- C32 H32 Cl2 N6 O6 S2 -","2","1","RZ5225","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structures of three ortho-substituted N-acyl-hydrazone derivatives.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1946","1951","10.1107/S2056989017016814","","","0.71073","MoKα","","0.0873","0.0624","","","0.1174","0.1312","","","","","","1.293","","","","has coordinates","245974","2020-10-21","18:00:00",""
"2311550","7.984","0.001","10.32","0.002","11.081","0.002","85.17","0.01","74.89","0.01","81.14","0.01","870","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-N-{2-[2-(2-Methylbenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C17 H19 N3 O3 S -","- C17 H19 N3 O3 S -","- C34 H38 N6 O6 S2 -","2","1","RZ5225","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structures of three ortho-substituted N-acyl-hydrazone derivatives.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1946","1951","10.1107/S2056989017016814","","","0.71073","MoKα","","0.0941","0.0533","","","0.1195","0.1411","","","","","","1.048","","","","has coordinates","245974","2020-10-21","18:00:00",""
"2311551","8.006","0.001","10.229","0.001","11.181","0.002","83.76","0.01","72.86","0.01","82.13","0.01","864.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-N-{2-[2-(2-Nitrobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H16 N4 O5 S -","- C16 H16 N4 O5 S -","- C32 H32 N8 O10 S2 -","2","1","RZ5225","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structures of three ortho-substituted N-acyl-hydrazone derivatives.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1946","1951","10.1107/S2056989017016814","","","0.71073","MoKα","","0.0897","0.0566","","","0.1151","0.131","","","","","","1.155","","","","has coordinates,has disorder","245974","2020-10-21","18:00:00",""
"2311552","21.7698","0.0004","10.7768","0.0002","22.2272","0.0004","90","","90","","90","","5214.7","0.17","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Hexakis(μ-benzoato-κ^2^O:O')bis(pyridine-3-carbonitrile-κN^1^)trizinc(II)","","- C54 H38 N4 O12 Zn3 -","- C54 H38 N4 O12 Zn3 -","- C216 H152 N16 O48 Zn12 -","4","0.5","NK2240","Hökelek, Tuncer; Özbek, Elif; Sertçelik, Mustafa; Şahin Yenice, Çiğdem; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of hexa-kis-(μ-benzoato-κ2O:O')bis-(pyridine-3-carbo-nitrile-κN1)trizinc(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1966","1970","10.1107/S2056989017016899","","","0.71073","MoKα","","0.0836","0.0605","","","0.1219","0.1357","","","","","","1.252","","","","has coordinates","245975","2020-10-21","18:00:00",""
"2311553","8.804","0.0018","15.804","0.003","18.266","0.004","90","","98.78","0.03","90","","2511.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diethyl 3,3'-[(4-nitrophenyl)methylene]bis(1H-indole-2-carboxylate)","","- C29 H25 N3 O6 -","- C29 H25 N3 O6 -","- C116 H100 N12 O24 -","4","1","XU5911","Sun, Hong-Shun; Li, Yu-Long; Jiang, Hong; Chen, Yu-Liang; Hu, Ya-Di","Crystal structure of diethyl 3,3'-[(4-nitro-phen-yl)methyl-ene]bis-(1H-indole-2-carboxyl-ate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1956","1958","10.1107/S2056989017016929","","","0.71073","MoKα","","0.0957","0.0591","","","0.1454","0.1643","","","","","","1","","","","has coordinates","245976","2020-10-21","18:00:00",""
"2311554","7.9474","0.0003","27.3202","0.0009","6.3886","0.0002","90","","103.903","0.003","90","","1346.48","0.08","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4,4-Difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacen-3-yl)propanoic acid","","- C14 H15 B F2 N2 O2 -","- C14 H15 B F2 N2 O2 -","- C56 H60 B4 F8 N8 O8 -","4","1","IS5481","Kato, Takuma; Doi, Mitsunobu","Crystal structure of 3-(4,4-di-fluoro-5,7-dimethyl-4-bora-3a,4a-di-aza-s-indacen-3-yl)propanoic acid.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1974","1976","10.1107/S2056989017016942","","","1.54184","CuKα","","0.0376","0.0352","","","0.0917","0.093","","","","","","1.055","","","","has coordinates","245977","2020-10-21","18:00:00",""
"2311555","10.06","0.002","8.2538","0.0017","13.536","0.003","90","","104.479","0.01","90","","1088.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[5-(2-hydroxyphenyl)-2H-tetrazol-2-yl]acetate","","- C10 H10 N4 O3 -","- C10 H10 N4 O3 -","- C40 H40 N16 O12 -","4","1","","Lee, Seul Gi; Ryu, Ji Yeon; Lee, Junseong","Crystal structure of methyl 2-[5-(2-hy-droxy-phen-yl)-2H-tetra-zol-2-yl]acetate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1971","1973","10.1107/S205698901701698X","","","0.71073","MoKα","","0.1242","0.0565","","","0.11","0.1367","","","","","","1.015","","","","has coordinates,has disorder","245978","2020-10-21","18:00:00",""
"2311556","13.8416","0.0009","7.7686","0.0004","16.4076","0.0013","90","","111.845","0.009","90","","1637.6","0.2","200.05","0.1","200.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[tetraaquairon(II)]-trans-μ-1,2-bis(pyridin-4-yl)ethene-κ^2^N:N'] bis(p-toluenesulfonate) methanol disolvate]","","- C28 H40 Fe N2 O12 S2 -","- C28 H40 Fe N2 O12 S2 -","- C56 H80 Fe2 N4 O24 S4 -","2","0.5","XU5910","Hiiuk, Volodymyr M.; Barakhty, Diana D.; Shova, Sergiu; Polunin, Ruslan A.; Gural'skiy, Il'ya A.","Crystal structure of catena-poly[[[tetra-aqua-iron(II)]-trans-μ-1,2-bis-(pyridin-4-yl)ethene-κ2N:N'] bis-(p-toluene-sulfonate) methanol disolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1977","1980","10.1107/S2056989017017054","","","0.71073","MoKα","","0.0523","0.0407","","","0.091","0.0973","","","","","","1.063","","","","has coordinates","245979","2020-10-21","18:00:00",""
"2311557","20.0633","0.0004","20.0633","0.0004","16.8156","0.0004","90","","90","","90","","6768.9","0.2","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","(Diphenylamido-κN){3-methyl-6-[(4-methylphenyl)(phenylazanidyl)methylidene]cyclohexa-2,4-dien-1-yl-κ^2^N,C^1^}(η^5^-pentamethylcyclopentadienyl)titanium(IV)","","- C43 H44 N2 Ti -","- C43 H44 N2 Ti -","- C344 H352 N16 Ti8 -","8","1","WM5424","Fischer, Malte; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structure of the η4-ketimine titanium complex (di-phenyl-amido-κN){3-methyl-6-[(4-methyl-phen-yl)(phenyl-aza-nid-yl)methyl-idene]cyclo-hexa-2,4-dien-1-yl-κ2N,C1}(η5-penta-methyl-cyclo-penta-dien-yl)titanium(IV).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 1","34","37","10.1107/S2056989017017455","","","0.71073","MoKα","","0.0546","0.0432","","","0.1031","0.1104","","","","","","1.07","","","","has coordinates","245980","2020-10-21","18:00:00",""
"2311558","24.2353","0.0004","5.608","0.0002","24.9702","0.0004","90","","118.027","0.011","90","","2995.7","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis(nicotinamide-κN)bis(4-sulfamoylbenzoato-κO^1^)copper(II)","","- C26 H26 Cu N6 O11 S2 -","- C26 H26 Cu N6 O11 S2 -","- C104 H104 Cu4 N24 O44 S8 -","4","0.5","XU5914","Hökelek, Tuncer; Yavuz, Vijdan; Dal, Hakan; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κN)bis-(4-sulfamoylbenzoato-κO1)copper(II).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 1","45","50","10.1107/S2056989017017765","","","0.71073","MoKα","","0.0652","0.0477","","","0.0958","0.1087","","","","","","1.099","","","","has coordinates","245981","2020-10-21","18:00:00",""
"2311559","12.3596","0.0005","8.3442","0.0003","19.5002","0.0007","90","","95.156","0.002","90","","2002.94","0.13","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis{μ-2,2'-[(3,4-dithiahexane-1,6-diyl)bis(nitrilomethanylylidene)]bis(4-bromophenolato)-κ^4^O,N,N',O'}dicopper(II)","","- C36 H32 Br4 Cu2 N4 O4 S4 -","- C36 H32 Br4 Cu2 N4 O4 S4 -","- C72 H64 Br8 Cu4 N8 O8 S8 -","2","0.5","LH5862","Rusanova, Julia A.; Bederak, Dmytro; Kokozay, Vladimir N.","Bis{μ-2,2'-[(3,4-di-thia-hexane-1,6-di-yl)bis-(nitrilo-methanylyl-idene)]bis-(4-bromo-phenolato)-κ4O,N,N',O'}dicopper(II).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 1","38","40","10.1107/S2056989017017790","","","0.71073","MoKα","","0.0869","0.0456","","","0.0896","0.0983","","","","","","1.047","","","","has coordinates","245982","2020-10-21","18:00:00",""
"2311560","11.1574","0.0005","14.6104","0.0007","10.8342","0.0005","90","","110.454","0.002","90","","1654.78","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bromido(η^6^-1-isopropyl-4-methylbenzene)(7-oxocyclohepta-1,3,5-trien-\ 1-olato-κ^2^O,O')osmium","","- C17 H19 Br O2 Os -","- C17 H19 Br O2 Os -","- C68 H76 Br4 O8 Os4 -","4","1","HB7721","Clayton, Hadley S.; Tapala, Kgaugelo C.; Lemmerer, Andreas","Crystal structure of bromido(η6-1-isopropyl-4-methylbenzene)(7-oxocyclohepta-1,3,5-trien-1-olato-κ2O,O')osmium.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","275","277","10.1107/S2056989018001391","","","0.71073","MoKα","","0.0581","0.0526","","","0.1152","0.118","","","","","","1.151","","","","has coordinates,has disorder","245983","2020-10-21","18:00:00",""
"2311561","8.78","0.0018","11.443","0.002","16.573","0.003","90","","90","","90","","1665.1","0.5","260","2","260","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Silver [(propane-1,3-diyldinitrilo-κ^2^N,N')tetraacetato-κ^4^O,O',O'',O''']chromate(III)","","- C11 H20 Ag Cr N2 O11 -","- C11 H20 Ag Cr N2 O11 -","- C44 H80 Ag4 Cr4 N8 O44 -","4","1","NK2244","Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha","Crystal structure of silver [(propane-1,3-diyl-dinitrilo-κ2N,N')-tetra-acetato-κ4O,O',O'',O''']chromate(III) from synchrotron X-ray data.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","278","281","10.1107/S2056989018001743","","","0.61","synchrotron","","0.0246","0.0198","","","0.0505","0.051","","","","","","1.072","","","","has coordinates","245984","2020-10-21","18:00:00",""
"2311562","25.8819","0.0017","7.1272","0.0004","16.4146","0.0011","90","","97.282","0.006","90","","3003.5","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[N,N-bis(2-methoxyethyl)dithiocarbamato-κ^2^S,S']di-n-butyltin(IV)","","- C22 H46 N2 O4 S4 Sn -","- C22 H46 N2 O4 S4 Sn -","- C88 H184 N8 O16 S16 Sn4 -","4","0.5","HB7731","Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structures and Hirshfeld surface analyses of bis-[N,N-bis-(2-meth-oxy-eth-yl)di-thio-carbamato-κ2S,S']di-n-butyl-tin(IV) and [N-(2-meth-oxy-eth-yl)-N-methyl-dithio-carbamato-κ2S,S']tri-phenyl-tin(IV).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","302","308","10.1107/S2056989018001901","","","0.71073","MoKα","","0.0665","0.0483","","","0.1143","0.1282","","","","","","1.046","","","","has coordinates","245985","2020-10-21","18:00:00",""
"2311563","7.6258","0.0003","10.2178","0.0003","14.8621","0.0006","91.976","0.003","90.655","0.003","107.875","0.003","1101.19","0.07","148","2","148","2","","","","","","","","6","P -1","-P 1","2","","[N-(2-Methoxyethyl)-N-methyldithiocarbamato-κ^2^S,S']triphenyltin(IV)","","- C23 H25 N O S2 Sn -","- C23 H25 N O S2 Sn -","- C46 H50 N2 O2 S4 Sn2 -","2","1","HB7731","Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structures and Hirshfeld surface analyses of bis-[N,N-bis-(2-meth-oxy-eth-yl)di-thio-carbamato-κ2S,S']di-n-butyl-tin(IV) and [N-(2-meth-oxy-eth-yl)-N-methyl-dithio-carbamato-κ2S,S']tri-phenyl-tin(IV).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","302","308","10.1107/S2056989018001901","","","0.71073","MoKα","","0.0427","0.0397","","","0.1108","0.1138","","","","","","1.088","","","","has coordinates","245985","2020-10-21","18:00:00",""
"2311564","9.6074","0.0002","25.4943","0.0006","17.4326","0.0003","90","","95.152","0.002","90","","4252.59","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[4-tert-Butyl-2,6-bis(1-pentyl-1H-benzimidazol-2-yl-κN^3^)phenyl-κC^1^]tellurium(II) (1,4-dioxane)triiodidomercurate(II)","","- C38 H49 Hg I3 N4 O2 Te -","- C38 H49 Hg I3 N4 O2 Te -","- C152 H196 Hg4 I12 N16 O8 Te4 -","4","1","ZS2398","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of an aryl-tellurenium(II) cation; [4-tert-butyl-2,6-bis-(1-pentyl-1H-benz-imidazol-2-yl-κN3)phenyl-κC1]tellurium(II) (1,4-dioxane)tri-iodido-mercurate(II).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","390","393","10.1107/S2056989018002645","","","0.71073","MoKα","","0.0491","0.0414","","","0.077","0.0795","","","","","","1.137","","","","has coordinates","245986","2020-10-21","18:00:00",""
"2311565","9.217","0.002","9.217","0.002","22.646","0.002","90","","90","","120","","1666.1","0.5","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Sodium chromium/aluminium molybdenum/aluminium dodecaoxide","","- Al1.762 Cr0.476 Mo2.763 Na0.72 O12 -","- Al1.762 Cr0.476 Mo2.763 Na0.724 O12 -","- Al10.572 Cr2.856 Mo16.578 Na4.344 O72 -","6","0.166667","VN2134","Sonni, Manel; Jendoubi, Imen; Zid, Mohamed Faouzi","Elaboration, structural study and validation of a new NASICON-type structure, Na0.72(Cr0.48,Al1.52)(Mo2.77,Al0.23)O12.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","406","409","10.1107/S2056989018003031","","","0.71073","MoKα","","0.0135","0.0127","","","0.0236","0.0239","","","","","","1.254","","","","has coordinates","245987","2020-10-21","18:00:00",""
"2311566","13.75102","0.00008","9.50887","0.00005","9.06168","0.00005","90","","90","","90","","1184.88","0.011","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Calcium perchlorate anhydrate","Calcium bis(perchlorate)","","- Ca Cl2 O8 -","- Ca Cl2 O8 -","- Ca8 Cl16 O64 -","8","1","WM5437","Lee, Dongmin; Bu, Hyeri; Kim, Dohwan; Hyoung, Jooeun; Hong, Seung-Tae","Crystal structure of calcium perchlorate anhydrate, Ca(ClO4)2, from laboratory powder X-ray diffraction data.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 4","514","517","10.1107/S2056989018003936","powder diffraction","","1.5405","Cukα~1~","","","","","","","","","","1.9","","","","","","","has coordinates","245988","2020-10-21","18:00:00",""
"2311567","35.297","0.003","9.3902","0.0006","8.3603","0.0005","90","","90","","90","","2771","0.3","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","","2,2'-{(1E,1'E)-[1,2-Phenylenebis(azanylylidene)]bis(methanylylidene)}bis(5-benzyloxy)phenol","","- C34 H28 N2 O4 -","- C34 H28 N2 O4 -","- C136 H112 N8 O16 -","4","0.5","","Ghichi, Nadir; Benboudiaf, Ali; DJebli, Yacine; Bensouici, Chawki; Merazig, Hocine","Crystal structure, Hirshfeld surface analysis and anti-oxidant capacity of 2,2'-{(1E,1'E)-[1,2-phenyl-enebis(aza-nylyl-idene)]bis-(methanylyl-idene)}bis-(5-benz-yloxy)phenol.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 5","682","686","10.1107/S2056989018005832","","","0.71073","MoKα","","0.0857","0.0527","","","0.1367","0.1582","","","","","","1.015","","","","has coordinates","245989","2020-10-21","18:00:00",""
"2311568","7.4028","0.0005","7.4432","0.0005","22.4616","0.0015","97.255","0.005","90.274","0.005","114.784","0.005","1112.36","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","N,N-Bis[(5-chloro-2-oxo-2,3-dihydrobenzo[d]oxazol-3-yl)methyl]-2-phenylethanamine","","- C24 H19 Cl2 N3 O4 -","- C24 H19 Cl2 N3 O4 -","- C48 H38 Cl4 N6 O8 -","2","1","WM5440","Aydın, Abdullah; Soyer, Zeynep; Akkurt, Mehmet; Büyükgüngör, Orhan","Crystal structure and theoretical study of N,N-bis-[(5-chloro-2-oxo-2,3-di-hydro-benzo[d]oxazol-3-yl)meth-yl]-2-phenyl-ethanamine.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 5","757","760","10.1107/S2056989018005984","","","0.71073","MoKα","","0.1163","0.0433","","","0.0724","0.089","","","","","","0.87","","","","has coordinates","245990","2020-10-21","18:00:00",""
"2311569","15.3991","0.001","7.9078","0.0005","15.7645","0.001","90","","113.037","0.001","90","","1766.6","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl]-3-methyl-1,4-dihydropyridin-4-iminium bromide","","- C20 H19 Br N2 O -","- C20 H19 Br N2 O -","- C80 H76 Br4 N8 O4 -","4","1","XU5923","Sheshadri, S. N.; Kwong, Huey Chong; Chidan Kumar, C. S.; Quah, Ching Kheng; Siddaraju, B. P.; Veeraiah, M. K.; Hamid, Muhammad Aiman Bin Abd; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1'-biphen-yl]-4-yl)-2-oxoeth-yl]-3-methyl-1,4-di-hydro-pyridin-4-iminium bromide.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 5","752","756","10.1107/S2056989018006217","","","0.71073","MoKα","","0.0407","0.0295","","","0.0696","0.075","","","","","","1.031","","","","has coordinates","245991","2020-10-21","18:00:00",""
"2311570","8.2706","0.0004","8.7726","0.0004","13.6433","0.0007","76.091","0.002","74.61","0.002","87.97","0.002","925.98","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1-(2,4-Dichlorobenzyl)-5-methyl-N-(thiophene-2-sulfonyl)-1H-pyrazole-3-carboxamide","","- C16 H13 Cl2 N3 O3 S2 -","- C16 H13 Cl2 N3 O3 S2 -","- C32 H26 Cl4 N6 O6 S4 -","2","1","RZ5232","Aydin, Abdullah; Akkurt, Mehmet; Gur, Zehra Tugce; Banoğlu, Erden","Crystal structure and Hirshfeld surface analysis of 1-(2,4-di-chloro-benz-yl)-5-methyl-N-(thio-phene-2-sulfon-yl)-1H-pyrazole-3-carboxamide.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 5","747","751","10.1107/S2056989018006242","","","0.71073","MoKα","","0.061","0.0561","","","0.15","0.1554","","","","","","1.03","","","","has coordinates,has disorder","245992","2020-10-21","18:00:00",""
"2311571","6.0569","0.0005","9.5801","0.0005","11.9941","0.0008","72.867","0.002","84.649","0.002","86.71","0.002","661.86","0.08","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(2E,2'E)-3,3'-(1,4-phenylene)bis[1-(4-hydroxyphenyl)prop-2-en-1-one] N,N-dimethylformamide disolvate","","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","1","0.5","XU5924","Kwong, Huey Chong; Sim, Ai Jia; Chidan Kumar, C. S.; Quah, Ching Kheng; Chantrapromma, Suchada; Naveen, S.; Warad, Ismail","Synthesis, spectroscopic and Hirshfeld surface analysis and fluorescence studies of (2E,2'E)-3,3'-(1,4-phenyl-ene)bis-[1-(4-hy-droxy-phen-yl)prop-2-en-1-one] N,N-di-methyl-formamide disolvate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 6","835","839","10.1107/S2056989018007429","","","0.71073","MoKα","","0.0927","0.0573","","","0.156","0.1771","","","","","","1.072","","","","has coordinates","245993","2020-10-21","18:00:00",""
"2311572","14.156","0.005","5.0111","0.0016","15.535","0.005","90","","104.316","0.005","90","","1067.8","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TrifluoroBromoacetophenone","1-[3,5-Bis(trifluoromethyl)phenyl]-2-bromoethan-1-one","","- C10 H5 Br F6 O -","- C10 H5 Br F6 O -","- C40 H20 Br4 F24 O4 -","4","1","DS2250","Chandrashekharappa, Sandeep; Bairagi, Keshab M.; Mohan, Mahendra K.; Mohanlall, Viresh; Kasumbwe, Kabange; Venugopala, Katharigatta N.; Nayak, Susanta K.","Crystal structure of 1-[3,5-bis-(tri-fluoro-meth-yl)phen-yl]-2-bromo-ethan-1-one.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 6","868","870","10.1107/S2056989018007478","","","0.71073","MoKα","","0.0719","0.0413","","","0.0916","0.1033","","","","","","1.031","","","","has coordinates","245994","2020-10-21","18:00:00",""
"2311573","11.3566","0.0004","12.3251","0.0002","23.7557","0.0008","90","","93.273","0.003","90","","3319.69","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetonitrile-κN)tris(pyridine-4-thioamide-κN)bis(thiocyanato-κN)cobalt(II) acetonitrile disolvate","","- C26 H27 Co N11 S5 -","- C26 H27 Co N11 S5 -","- C104 H108 Co4 N44 S20 -","4","1","WM5443","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of (aceto-nitrile-κN)tris-(pyridine-4-thio-amide-κN)bis-(thio-cyanate-κN)cobalt(II) aceto-nitrile disolvate and tetra-kis-(pyridine-4-thio-amide-κN)bis-(thio-cyanate-κN)nickel(II) methanol penta-solvate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","964","969","10.1107/S2056989018007612","","","0.71073","MoKα","","0.0433","0.0321","","","0.0757","0.0795","","","","","","1.037","","","","has coordinates,has disorder","245995","2020-10-21","18:00:00",""
"2311574","10.452","0.0003","14.5934","0.0004","15.058","0.0005","101.553","0.002","97.105","0.002","106.417","0.002","2118.43","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(pyridine-4-thioamide-κN)bis(thiocyanato-κN)nickel(II) methanol pentasolvate","","- C31 H44 N10 Ni O5 S6 -","- C31 H44 N10 Ni O5 S6 -","- C62 H88 N20 Ni2 O10 S12 -","2","1","","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of (aceto-nitrile-κN)tris-(pyridine-4-thio-amide-κN)bis-(thio-cyanate-κN)cobalt(II) aceto-nitrile disolvate and tetra-kis-(pyridine-4-thio-amide-κN)bis-(thio-cyanate-κN)nickel(II) methanol penta-solvate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","964","969","10.1107/S2056989018007612","","","0.71073","MoKα","","0.0469","0.0393","","","0.1058","0.1094","","","","","","1.064","","","","has coordinates","245995","2020-10-21","18:00:00",""
"2311575","9.0491","0.0004","8.3257","0.0004","20.2857","0.0009","90","","99.484","0.001","90","","1507.44","0.12","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E)-3-(3-Chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C68 H60 Cl4 O12 -","4","1","XU5927","Sheshadri, S. N.; Atioğlu, Zeliha; Akkurt, Mehmet; Chidan Kumar, C. S.; Quah, Ching Kheng; Siddaraju, B. P.; Veeraiah, M. K.","Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-chloro-phen-yl)-1-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","935","938","10.1107/S205698901800837X","","","0.71073","MoKα","","0.074","0.0485","","","0.1352","0.1579","","","","","","1.006","","","","has coordinates","245996","2020-10-21","18:00:00",""
"2311576","9.4939","0.0005","18.5548","0.001","9.5068","0.0005","90","","96.788","0.003","90","","1662.95","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2E)-1-[4-Hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-(thiophen-2-yl)prop-2-en-1-one","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","RZ5238","Yesilyurt, Fatma; Aydin, Abdullah; Gul, Halise Inci; Akkurt, Mehmet; Ozcelik, Nefise Dilek","Crystal structure and theoretical study of (2E)-1-[4-hy-droxy-3-(morpholin-4-ylmeth-yl)phen-yl]-3-(thio-phen-2-yl)prop-2-en-1-one.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","960","963","10.1107/S2056989018008459","","","0.71073","MoKα","","0.0609","0.0495","","","0.1274","0.1379","","","","","","1.031","","","","has coordinates","245997","2020-10-21","18:00:00",""
"2311577","6.047","0.003","6.047","0.003","16.479","0.009","90","","90","","120","","521.8","0.5","298","2","298","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Dibarium dipotassium nonaoxidoditellurate","","- Ba2 K2 O9 Te2 -","- Ba2 K2 O9 Te2 -","- Ba4 K4 O18 Te4 -","2","0.0833333","PJ2054","Weil, Matthias","Crystal structures of the triple perovskites Ba2K2Te2O9 and Ba2KNaTe2O9, and redetermination of the double perovskite Ba2CaTeO6.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","1006","1009","10.1107/S2056989018009064","","","0.71073","MoKα","","0.0186","0.0153","","","0.0348","0.0359","","","","","","1.15","","","","has coordinates","245998","2020-10-21","18:00:00",""
"2311578","5.9625","0.0003","5.9625","0.0003","14.9396","0.0008","90","","90","","120","","459.97","0.04","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Dibarium potassium sodium nonaoxidoditellurate","","- Ba2 K Na O9 Te2 -","- Ba2 K Na O9 Te2 -","- Ba4 K2 Na2 O18 Te4 -","2","0.0833333","PJ2054","Weil, Matthias","Crystal structures of the triple perovskites Ba2K2Te2O9 and Ba2KNaTe2O9, and redetermination of the double perovskite Ba2CaTeO6.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","1006","1009","10.1107/S2056989018009064","","","0.71073","MoKα","","0.0192","0.0177","","","0.0335","0.0339","","","","","","1.491","","","","has coordinates","245998","2020-10-21","18:00:00",""
"2311579","8.3536","0.0014","8.3536","0.0014","8.3536","0.0014","90","","90","","90","","582.94","0.17","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dibarium calcium hexaoxidotellurate","","- Ba2 Ca O6 Te -","- Ba2 Ca O6 Te -","- Ba8 Ca4 O24 Te4 -","4","0.0208333","PJ2054","Weil, Matthias","Crystal structures of the triple perovskites Ba2K2Te2O9 and Ba2KNaTe2O9, and redetermination of the double perovskite Ba2CaTeO6.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","1006","1009","10.1107/S2056989018009064","","","0.71073","MoKα","","0.0194","0.0194","","","0.0486","0.0486","","","","","","1.325","","","","has coordinates","245998","2020-10-21","18:00:00",""
"2311580","3.9564","0.0008","13.367","0.002","25.173","0.005","90","","93.363","0.004","90","","1329","0.4","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-3-(2-Chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","","- C13 H6 Cl3 F O S -","- C13 H6 Cl3 F O S -","- C52 H24 Cl12 F4 O4 S4 -","4","1","XU5930","Sanjeeva Murthy, T. N.; Naveen, S.; Chidan Kumar, C. S.; Veeraiah, M. K.; Quah, Ching Kheng; Siddaraju, B. P.; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-4-fluoro-phen-yl)-1-(2,5-di-chloro-thio-phen-3-yl)prop-2-en-1-one.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 8","1134","1137","10.1107/S2056989018010216","","","0.71073","MoKα","","0.1109","0.0756","","","0.1984","0.2176","","","","","","1.036","","","","has coordinates","245999","2020-10-21","18:00:00",""
"2311581","11.006","0.0006","20.7269","0.0011","7.6213","0.0004","90","","97.468","0.002","90","","1723.83","0.16","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Diamino-6-phenyl-1,3,5-triazin-1-ium 4-methylbenzenesulfonate","","- C16 H17 N5 O3 S -","- C16 H17 N5 O3 S -","- C64 H68 N20 O12 S4 -","4","1","JJ2200","Sangeetha, Ramalingam; Balasubramani, Kasthuri; Thanigaimani, Kaliyaperumal; Jose Kavitha, Savaridasson","Crystal structure and Hirshfeld surface analysis of 2,4-di-amino-6-phenyl-1,3,5-triazin-1-ium 4-methyl-benzene-sulfonate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 8","1159","1162","10.1107/S2056989018010368","","","0.71073","MoKα","","0.0661","0.0487","","","0.136","0.151","","","","","","1.014","","","","has coordinates","246000","2020-10-21","18:00:00",""
"2311582","8.0279","0.0005","10.8496","0.0005","15.1239","0.0008","102.228","0.002","96.148","0.002","102.764","0.002","1239.11","0.12","293","","293","","","","","","","","","5","P -1","-P 1","2","","Tetraaquatrinitratoneodymium(III)‒3-amino-1,2,4-triazine (1:3)","","- C9 H20 N15 Nd O13 -","- C9 H20 N15 Nd O13 -","- C18 H40 N30 Nd2 O26 -","2","1","CQ2026","Sangeetha, Ramalingam; Balasubramani, Kasthuri; Jose Kavitha, Savaridasson; Hemamalini, Madhukumar","Crystal structure and Hirshfeld surface analysis of the 1:3 adduct of tetra-aqua-trinitrato-neodymium(III) with 3-amino-1,2,4-triazine.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 9","1309","1313","10.1107/S2056989018011714","","","0.71073","MoKα","","0.0213","0.019","","","0.0461","0.047","","","","","","1.051","","","","has coordinates","246001","2020-10-21","18:00:00",""
"2311583","6.7083","0.0004","7.2414","0.0005","17.2768","0.0013","90","","92.153","0.006","90","","838.67","0.1","298","1","298","1","","","","","","","","6","P 1 21 1","P 2yb","4","trans-Aqua[N,N'-bis(salicylidene)ethane-1,2-diamine-κ^4^O,N,N',O']chloridomanganese(III) monohydrate","trans-Aquachlorido{2,2'[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^O,N,N',O'}manganese(III) monohydrate","","- C16 H18 Cl Mn N2 O4 -","- C16 H18 Cl Mn N2 O4 -","- C32 H36 Cl2 Mn2 N4 O8 -","2","1","VN2136","Reyes Perea, Juan Alberto; Bernès, Sylvain; Quintero Téllez, Ma Guadalupe","Packing polymorphism in the structure of trans-aqua-[N,N'-bis-(salicyl-idene)ethane-1,2-di-amine-κ4O,N,N',O']chlorido-manganese(III) monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 12","1778","1782","10.1107/S2056989018015694","","x-ray","0.71073","MoKα","","0.0447","0.0368","","","0.0672","0.0721","","","","","","1.063","","","","has coordinates","246002","2020-10-21","18:00:00",""
"2311584","10.1879","0.0005","11.6149","0.0005","8.779","0.0004","90","","113.48","0.006","90","","952.82","0.09","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-Amino-4,4,7,7-tetramethyl-3a,5,6,7a-tetrahydrobenzothiazol-3-ium 4-methylbenzoate","","- C19 H26 N2 O2 S -","- C19 H26 N2 O2 S -","- C38 H52 N4 O4 S2 -","2","1","MW2140","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Hydrogen-bonded mol-ecular salts of reduced benzo-thia-zole derivatives with carboxyl-ates: a robust (8) supra-molecular motif (even when disordered).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","167","174","10.1107/S2056989018018224","","x-ray","0.71073","MoKα","","0.0497","0.0377","","","0.0848","0.0892","","","","","","1.027","","","","has coordinates,has disorder","246003","2020-10-21","18:00:00",""
"2311585","10.2506","0.0005","11.5855","0.0004","8.8269","0.0004","90","","113.807","0.006","90","","959.07","0.08","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","2-Amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium 4-bromobenzoate","","- C18 H23 Br N2 O2 S -","- C18 H23 Br N2 O2 S -","- C36 H46 Br2 N4 O4 S2 -","2","1","MW2140","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Hydrogen-bonded mol-ecular salts of reduced benzo-thia-zole derivatives with carboxyl-ates: a robust (8) supra-molecular motif (even when disordered).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","167","174","10.1107/S2056989018018224","","x-ray","0.71073","MoKα","","0.0432","0.0323","","","0.0793","0.0826","","","","","","1.061","","","","has coordinates","246003","2020-10-21","18:00:00",""
"2311586","17.3232","0.0006","5.84087","0.00017","21.0876","0.0008","90","","109.875","0.004","90","","2006.61","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium 3,5-dinitrobenzoate","","- C18 H22 N4 O6 S -","- C18 H22 N4 O6 S -","- C72 H88 N16 O24 S4 -","4","1","MW2140","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Hydrogen-bonded mol-ecular salts of reduced benzo-thia-zole derivatives with carboxyl-ates: a robust (8) supra-molecular motif (even when disordered).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","167","174","10.1107/S2056989018018224","","x-ray","0.71073","MoKα","","0.0565","0.042","","","0.1079","0.1155","","","","","","1.053","","","","has coordinates","246003","2020-10-21","18:00:00",""
"2311587","9.0259","0.0006","14.7314","0.0011","11.1993","0.0008","90","","101.943","0.006","90","","1456.87","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium) fumarate","","- C26 H40 N4 O4 S2 -","- C26 H40 N4 O4 S2 -","- C52 H80 N8 O8 S4 -","2","1","MW2140","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Hydrogen-bonded mol-ecular salts of reduced benzo-thia-zole derivatives with carboxyl-ates: a robust (8) supra-molecular motif (even when disordered).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","167","174","10.1107/S2056989018018224","","x-ray","0.71073","MoKα","","0.1297","0.0624","","","0.1099","0.1275","","","","","","1.002","","","","has coordinates,has disorder","246003","2020-10-21","18:00:00",""
"2311588","8.9437","0.0003","14.7253","0.0004","11.2676","0.0004","90","","100.493","0.003","90","","1459.11","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium) succinate‒2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium hydrogen succinate 4,4,7,7-tetramethyl-3a,5,6,7a-tetrahydrobenzothiazol-2-ylamine (1/1)","","- C26 H42 N4 O4 S2 -","- C26 H42 N4 O4 S2 -","- C52 H84 N8 O8 S4 -","2","1","MW2140","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Hydrogen-bonded mol-ecular salts of reduced benzo-thia-zole derivatives with carboxyl-ates: a robust (8) supra-molecular motif (even when disordered).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","167","174","10.1107/S2056989018018224","","x-ray","0.71073","MoKα","","0.0466","0.0391","","","0.0906","0.0939","","","","","","1.041","","","","has coordinates,has disorder","246003","2020-10-21","18:00:00",""
"2311589","12.4283","0.0004","4.84866","0.00009","20.6944","0.0005","90","","105.823","0.003","90","","1199.8","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Bis[2-(1H-benzotriazol-1-yl)acetato-κO]bis(ethanolamine-κ^2^N,O)copper(II)","","- C20 H26 Cu N8 O6 -","- C20 H26 Cu N8 O6 -","- C40 H52 Cu2 N16 O12 -","2","0.5","WM5481","Alieva, Guloy K.; Ashurov, Jamshid M.; Kadirova, Shahnoza A.; Ibragimov, Bakhtiyar T.; Zakhidov, Kasim A.","Crystal structure of trans-bis-[2-(1H-benzotriazol-1-yl)acetato-κO]bis-(ethano-lamine-κ2N,O)copper(II).","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 2","233","236","10.1107/S2056989019000744","","","1.54184","CuKα","","0.0382","0.0329","","","0.0904","0.0957","","","","","","1.064","","","","has coordinates","246004","2020-10-21","18:00:00",""
"2311590","13.9953","0.0008","10.0081","0.0006","13.733","0.0008","90","","116.43","0.0014","90","","1722.48","0.18","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(6-carboxypicolinato)zinc(II) trihydrate","","- C14 H14 N2 O11 Zn -","- C14 H13.95 N2 O10.975 Zn -","- C56 H55.8 N8 O43.9 Zn4 -","4","1","WM5493","Kremer, Marius; Englert, Ulli","Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","903","911","10.1107/S2056989019007461","","","0.71073","MoKα","","0.0596","0.0373","","","0.0926","0.105","","","","","","1.036","","","","has coordinates,has disorder","246005","2020-10-21","18:00:00",""
"2311591","13.6651","0.0015","10.0207","0.0011","13.7696","0.0015","90","","115.109","0.002","90","","1707.3","0.3","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(6-carboxypicolinato)nickel(II) trihydrate","","- C14 H14 N2 Ni O11 -","- C14 H13.934 N2 Ni O10.967 -","- C56 H55.736 N8 Ni4 O43.868 -","4","1","WM5493","Kremer, Marius; Englert, Ulli","Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","903","911","10.1107/S2056989019007461","","","0.71073","MoKα","","0.0621","0.0392","","","0.1163","0.1284","","","","","","1.027","","","","has coordinates,has disorder","246005","2020-10-21","18:00:00",""
"2311592","10.0293","0.0005","10.0293","0.0005","16.8924","0.0009","90","","90","","90","","1699.15","0.15","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","Poly[(4-chloropyridine-2,6-dicarboxylato)zinc(II)]","","- C7 H2 Cl N O4 Zn -","- C7 H2 Cl N O4 Zn -","- C56 H16 Cl8 N8 O32 Zn8 -","8","1","WM5493","Kremer, Marius; Englert, Ulli","Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","903","911","10.1107/S2056989019007461","","","0.71073","MoKα","","0.0353","0.0264","","","0.0617","0.064","","","","","","1.068","","","","has coordinates","246005","2020-10-21","18:00:00",""
"2311593","10.05","0.001","10.05","0.001","16.506","0.0016","90","","90","","90","","1667.1","0.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","Poly[[(4-hydroxypyridine-2,6-dicarboxylato)zinc(II)] monohydrate]","","- C14 H10 N2 O12 Zn2 -","- C14 H10 N2 O12 Zn2 -","- C56 H40 N8 O48 Zn8 -","4","0.5","WM5493","Kremer, Marius; Englert, Ulli","Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","903","911","10.1107/S2056989019007461","","","0.71073","MoKα","","0.0382","0.0334","","","0.0774","0.0787","","","","","","1.074","","","","has coordinates","246005","2020-10-21","18:00:00",""
"2311594","9.544","0.002","9.544","0.002","23.361","0.005","90","","90","","90","","2127.9","0.8","250","2","250","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Triaqua(4-chloropyridine-2,6-dicarboxylato)nickel(II)","","- C7 H8 Cl N Ni O7 -","- C7 H8 Cl N Ni O7 -","- C56 H64 Cl8 N8 Ni8 O56 -","8","0.5","WM5493","Kremer, Marius; Englert, Ulli","Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","903","911","10.1107/S2056989019007461","","","0.71073","MoKα","","0.0577","0.0501","","","0.1245","0.1274","","","","","","1.143","","","","has coordinates,has disorder","246005","2020-10-21","18:00:00",""
"2311595","14.7249","0.0011","6.8538","0.0005","22.351","0.0016","90","","90.355","0.001","90","","2255.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Triaqua(4-hydroxypyridine-2,6-dicarboxylato)nickel(II) 1.7-hydrate","","- C7 H12.4 N Ni O9.7 -","- C7 H12.398 N Ni O9.699 -","- C56 H99.184 N8 Ni8 O77.592 -","8","1","WM5493","Kremer, Marius; Englert, Ulli","Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","903","911","10.1107/S2056989019007461","","","0.71073","MoKα","","0.0447","0.0389","","","0.1036","0.1056","","","","","","1.165","","","","has coordinates,has disorder","246005","2020-10-21","18:00:00",""
"2311596","14.4477","0.0004","14.5325","0.0004","17.9076","0.0005","71.266","0.002","75.725","0.002","70.506","0.002","3315.42","0.17","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","μ-Oxido-bis[(5,10,15,20-tetraphenylporphyrinato)iron(III)]","","- C88 H56 Fe2 N8 O -","- C87.99 H55.99 Fe2 N8 O -","- C175.98 H111.98 Fe4 N16 O2 -","2","1","WM5503","Peters, Morten K.; Näther, Christian; Herges, Rainer","Crystal structure of a polymorph of μ-oxido-bis-[(5,10,15,20-tetra-phenyl-porphyrinato)iron(III)].","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 6","930","933","10.1107/S2056989019007576","","","0.71073","MoKα","","0.0879","0.0753","","","0.206","0.2137","","","","","","1.053","","","","has coordinates,has disorder","246006","2020-10-21","18:00:00",""
"2311597","15.982","0.003","15.982","0.003","29.74","0.005","90","","90","","120","","6579","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","[Co(NH3)6][ReF6]","Tris[hexaamminecobalt(III)] tetraoxidorhenate(VII) tetrakis[hexafluoridorhenate(IV)] hexahydrate","","- Co3 F24 H54 N18 O10 Re5 -","- Co3 F24 H54 N18 O10 Re5 -","- Co18 F144 H324 N108 O60 Re30 -","6","0.333333","HB7830","Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Hagenbach, Adelheid; Poineau, Frederic","An unexpected rhenium(IV)-rhenium(VII) salt: [Co(NH3)6]3[ReVIIO4][ReIVF6]4·6H2O.","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 8","1158","1161","10.1107/S2056989019009757","","","0.71073","MoKα","","0.0417","0.0392","","","0.1122","0.1144","","","","","","1.084","","","","has coordinates","246007","2020-10-21","18:00:00",""
"2311598","7.5981","0.0006","37.411","0.003","6.1991","0.0005","90","","90","","90","","1762.1","0.2","90","","90","","","","","","","","","4","A e m 2","A 2 -2b","39","","4,4'-Bis(4-bromophenyl)-1,1',3,3'-tetrathiafulvalene","","- C18 H10 Br2 S4 -","- C18 H10 Br2 S4 -","- C72 H40 Br8 S16 -","4","0.5","EB2019","Rigin, Sergei; Fonari, Marina","Crystal structure of 4,4'-bis-(4-bromo-phen-yl)-1,1',3,3'-tetra-thia-fulvalene.","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 8","1195","1198","10.1107/S2056989019009952","","","0.71073","MoKα","","0.0182","0.0171","","","0.0404","0.0407","","","","","","1.09","","","","has coordinates","246008","2020-10-21","18:00:00",""
"2311599","7.3371","0.0004","21.0051","0.0011","8.3069","0.0004","90","","102.711","0.001","90","","1248.86","0.11","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Nitrophenyl)-2-oxoethyl benzoate","","- C15 H11 N O5 -","- C15 H11 N O5 -","- C60 H44 N4 O20 -","4","1","SU5520","Sheshadri, S. N.; Chidan Kumar, C. S.; Naveen, S.; Veeraiah, M. K.; Raghava Reddy, Kakarla; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of 2-(4-nitro-phen-yl)-2-oxoethyl benzoate.","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 11","1719","1723","10.1107/S2056989019013975","","x-ray","0.71073","MoKα","","0.0497","0.0414","","","0.1121","0.1204","","","","","","1.055","","","","has coordinates","246009","2020-10-21","18:00:00",""
"2311600","4.6292","0.0004","10.6563","0.0009","13.3592","0.0011","99.136","0.001","93.426","0.001","100.556","0.001","636.95","0.09","297","","297","","","","","","","","see text","4","P -1","-P 1","2","","2-(4-Nitrophenyl)-2-oxoethyl picolinate","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C28 H20 N4 O10 -","2","1","JJ2216","Sanjeeva Murthy, T. N.; Chidan Kumar, C. S.; Naveen, S.; Veeraiah, M. K.; Raghava Reddy, Kakarla; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of 2-(4-nitro-phen-yl)-2-oxoethyl picolinate.","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 11","1763","1767","10.1107/S2056989019014105","","x-ray","0.71073","MoKα","","0.0624","0.0457","","","0.1214","0.1355","","","","","","1.066","","","","has coordinates","246011","2020-10-21","18:00:00",""
"2311601","12.6646","0.0018","12.4099","0.0018","9.0902","0.0013","90","","99.947","0.002","90","","1407.2","0.3","294","","294","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Nitrophenyl)-2-oxoethyl 2-chlorobenzoate","","- C15 H10 Cl N O5 -","- C15 H10 Cl N O5 -","- C60 H40 Cl4 N4 O20 -","4","1","SU5521","Sheshadri, S. N.; Chidan Kumar, C. S.; Naveen, S.; Veeraiah, M. K.; Raghava Reddy, Kakarla; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of 2-(4-nitro-phen-yl)-2-oxoethyl 2-chloro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2019","75","Pt 11","1792","1796","10.1107/S2056989019014336","","x-ray","0.71073","MoKα","","0.1016","0.0544","","","0.1136","0.1405","","","","","","1.056","","","","has coordinates","246012","2020-10-21","18:00:00",""
"2312016","5.4475","0.0005","22.545","0.002","5.5411","0.0005","90","","95.446","0.002","90","","677.45","0.11","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","Silver(I) L-valine","catena-Poly[silver(I)-μ-L-valinato-κ^2^N:O]","","- C5 H10 Ag N O2 -","- C5 H10 Ag N O2 -","- C20 H40 Ag4 N4 O8 -","4","2","IS5463","Takagi, Yoshitaka; Okamoto, Youhei; Inoue, Chisato; Kasuga, Noriko Chikaraishi; Nomiya, Kenji","Crystal structure of catena-poly[silver(I)-μ-l-valinato-κ2N:O].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","354","357","10.1107/S2056989017001815","","","0.71073","MoKα","","0.0222","0.022","","","0.0539","0.054","","","","","","1.154","","","","has coordinates","246243","2020-10-21","18:00:00",""
"2312017","12.9336","0.0004","14.5249","0.0004","19.9141","0.0005","90","","90","","90","","3741.05","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis{(S)-2-[(2-hydroxybenzyl)amino]-4-methylpentanoato-κ^2^N,O}(1,10-phenanthroline-κ^2^N,N')nickel(II)","","- C38 H44 N4 Ni O6 -","- C38 H44 N4 Ni O6 -","- C152 H176 N16 Ni4 O24 -","4","1","IM2482","Faizi, Md Serajul Haque; Dege, Necmi; Malinkin, Sergey","Crystal structure and DFT study of bis-{(S)-2-[(2-hy-droxy-benzyl)-amino]-4-methyl-penta-noato-κ2N,O}(1,10-phenanthroline-κ2N,N')nickel(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1393","1397","10.1107/S2056989017012014","","","0.71073","MoKα","","0.0702","0.0432","","","0.1177","0.133","","","","","","0.948","","","","has coordinates,has Fobs","246247","2020-10-21","18:00:00",""
"2312018","9.0998","0.0008","9.3544","0.001","15.508","0.002","84.176","0.001","75.54","0.008","61.067","0.006","1118.4","0.2","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","{μ~2~-N,N'-bis[(pyridin-3-yl)methyl]ethanediamide}tetrakis(dimethylcarbamodithioato)dizinc(II) dimethylformamide disolvate","","- C32 H52 N10 O4 S8 Zn2 -","- C32 H52 N10 O4 S8 Zn2 -","- C32 H52 N10 O4 S8 Zn2 -","1","0.5","HB7704","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","Crystal structures of {μ2-N,N'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-methyl-carbamodi-thio-ato)dizinc(II) di-methyl-formamide disolvate and {μ2-N,N'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-n-propyl-carbamodi-thio-ato)dizinc(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1501","1507","10.1107/S2056989017012956","","","0.71073","MoKα","","0.0323","0.031","","","0.0824","0.0839","","","","","","1.049","","","","has coordinates,has Fobs","246248","2020-10-21","18:00:00",""
"2312019","31.048","0.004","16.923","0.002","10.3453","0.0014","90","","100.361","0.002","90","","5347","1.2","98","2","98","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{μ~2~-N,N'-Bis[(pyridin-3-yl)methyl]ethanediamide}tetrakis(di-n-propylcarbamodithioato)dizinc(II)","","- C42 H70 N8 O2 S8 Zn2 -","- C42 H70 N8 O2 S8 Zn2 -","- C168 H280 N32 O8 S32 Zn8 -","4","0.5","HB7704","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","Crystal structures of {μ2-N,N'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-methyl-carbamodi-thio-ato)dizinc(II) di-methyl-formamide disolvate and {μ2-N,N'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-n-propyl-carbamodi-thio-ato)dizinc(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1501","1507","10.1107/S2056989017012956","","","0.71073","MoKα","","0.0362","0.0329","","","0.0755","0.0773","","","","","","1.087","","","","has coordinates,has Fobs","246248","2020-10-21","18:00:00",""
"2312020","6.2899","0.0013","15.167","0.003","17.938","0.004","90","","90","","90","","1711.3","0.6","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(Dibenzofuran-4-yl)-2'-deoxyuridine","","- C21 H18 N2 O6 -","- C21 H18 N2 O6 -","- C84 H72 N8 O24 -","4","1","DS2247","Gayakhe, Vijay; Kapdi, Anant Ramakant; Borozdina, Yulia; Schulzke, Carola","Crystal structure of 5-(dibenzo-furan-4-yl)-2'-deoxy-uridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1493","1496","10.1107/S2056989017013111","","","0.71073","MoKα","","0.0848","0.057","","","0.1291","0.1434","","","","","","0.962","","","","has coordinates,has Fobs","246249","2020-10-21","18:00:00",""
"2312021","5.95","0.0002","6.765","0.0002","8.4363","0.0003","90","","96.746","0.002","90","","337.225","0.019","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-Bipyrrole","","- C8 H8 N2 -","- C8 H8 N2 -","- C16 H16 N4 -","2","0.5","HB7692","Michaels, Christopher A.; Zakharov, Lev N.; Lamm, Ashley N.","Crystal structure of 2,2'-bi-pyrrole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1517","1519","10.1107/S2056989017013433","","","1.54178","CuKα","","0.0367","0.0337","","","0.0947","0.0981","","","","","","1.078","","","","has coordinates,has Fobs","246250","2020-10-21","18:00:00",""
"2312022","11.0965","0.0011","19.12","0.002","7.5453","0.0008","90","","91.0813","0.0019","90","","1600.6","0.3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Dimethylaminopyridinium dimethylammonium tetrachloridolead(II)","","- C9 H19 Cl4 N3 Pb -","- C9 H19 Cl4 N3 Pb -","- C36 H76 Cl16 N12 Pb4 -","4","0.5","NR2065","Benson, Cassidy A.; Bateman, Gage; Cox, Jordan M.; Benedict, Jason B.","Hybrid organic-inorganic crystal structure of 4-(di-methyl-amino)-pyridinium di-methyl-ammonium tetra-chlorido-lead(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1670","1673","10.1107/S2056989017014062","","","0.71073","MoKα","","0.0136","0.013","","","0.0332","0.0335","","","","","","1.036","","","","has coordinates,has Fobs","246251","2020-10-21","18:00:00",""
"2312023","7.66978","0.00018","8.7286","0.00013","23.7524","0.0004","90","","98.7356","0.0016","90","","1571.69","0.05","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","","4,6-Dimethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-\ 2H-pyran-2-yl]sulfanyl}nicotinonitrile","","- C14 H18 N2 O5 S -","- C14 H18 N2 O5 S -","- C56 H72 N8 O20 S4 -","4","1","QM2120","Masoud, Doaa M.; Hammad, Sherif F.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 4,6-dimethyl-2-{[3,4,5-trihy-droxy-6-(hy-droxy-meth-yl)tetra-hydro-2H-pyran-2-yl]sulfan-yl}nicotino-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1751","1754","10.1107/S2056989017015213","","","0.71073","MoKα","","0.0256","0.0241","","","0.0621","0.0631","","","","","","1.054","","","","has coordinates,has Fobs","246252","2020-10-21","18:00:00",""
"2312024","13.8058","0.0004","13.8058","0.0004","13.8058","0.0004","90","","90","","90","","2631.39","0.13","297","2","297","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","Sodium pentarubidium bis[tris(oxalato)ferrate(III)]","","- C12 Fe2 Na O24 Rb5 -","- C12 Fe2 Na O24 Rb5 -","- C48 Fe8 Na4 O96 Rb20 -","4","0.166667","HB7735","Piro, O. E.; Echeverría, G A; Baran, E. J.","Spontaneous enanti-omorphism in poly-phased alkaline salts of tris-(oxalato)ferrate(III): crystal structure of cubic NaRb5[Fe(C2O4)3]2.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","905","909","10.1107/S2056989018008022","","","0.71073","MoKα","","0.0536","0.0345","","","0.0582","0.0641","","","","","","1.003","","","","has coordinates,has Fobs","246253","2020-10-21","18:00:00",""
"2312025","13.7995","0.0003","13.7995","0.0003","13.7995","0.0003","90","","90","","90","","2627.79","0.1","293","2","293","2","","","","","","","","5","P 41 3 2","P 4bd 2ab 3","213","","sodium and rubidium tris(oxalate)ferrate(III)","","- C12 Fe2 Na O24 Rb5 -","- C12 Fe2 Na O24 Rb5 -","- C48 Fe8 Na4 O96 Rb20 -","4","0.166667","HB7735","Piro, O. E.; Echeverría, G A; Baran, E. J.","Spontaneous enanti-omorphism in poly-phased alkaline salts of tris-(oxalato)ferrate(III): crystal structure of cubic NaRb5[Fe(C2O4)3]2.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","905","909","10.1107/S2056989018008022","","","0.71073","MoKα","","0.0478","0.0316","","","0.0612","0.0681","","","","","","1.023","","","","has coordinates,has Fobs","246253","2020-10-21","18:00:00",""
"2312026","13.104","0.0004","10.8828","0.0003","15.7167","0.0004","90","","111.57","0.002","90","","2084.37","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(N,N-diethylnicotinamide-κN^1^)bis(2,4,6-trimethylbenzoato-κO)manganese(II)","","- C40 H54 Mn N4 O8 -","- C40 H54 Mn N4 O8 -","- C80 H108 Mn2 N8 O16 -","2","0.5","XU5920","Hökelek, Tuncer; Özkaya, Safiye; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of di-aqua-bis-(N,N-di-ethyl-nicotinamide-κN1)bis-(2,4,6-tri-methyl-benzoato-κO)manganese(II).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 4","422","427","10.1107/S2056989018003377","","","0.71073","MoKα","","0.0634","0.0477","","","0.1254","0.144","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","258514","2020-10-21","05:09:05",""
"2312051","8.6965","0.0003","8.7974","0.0004","9.5574","0.0004","88.6165","0.0017","79.3644","0.0016","73.0017","0.0015","686.9","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","Di-μ-chlorido-bis({(E)-5-(ethylamino)-4-methyl-2-[(pyridin-2-\ yl)diazenyl]phenolato}copper(II))","","- C28 H30 Cl2 Cu2 N8 O2 -","- C28 H30 Cl2 Cu2 N8 O2 -","- C28 H30 Cl2 Cu2 N8 O2 -","1","0.5","ZV2019","Meier, Alex; Mian, Mohammad Rasel; Ou, Siyu; Lovell, Scott; Mure, Minae","Crystal structures of di-μ-chlorido-bis-({(E)-5-(ethyl-amino)-4-methyl-2-[(pyridin-2-yl)diazen-yl]phen-o-lato}copper(II)) and chlorido-bis-(1,10-phen-anthroline)copper(II) chloride tetra-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","201","206","10.1107/S205698902300138X","","","0.71073","MoKα","","0.0474","0.035","","","0.0822","0.09","","","","","","1.025","","","","has coordinates,has Fobs","282417","2023-04-05","15:59:24",""
"2312052","23.1874","0.0007","30.2708","0.0009","7.2839","0.0002","90","","97.235","0.001","90","","5071.9","0.3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chloridobis(1,10-phenanthroline)copper(II) chloride tetrahydrate","","- C24 H24 Cl2 Cu N4 O4 -","- C24 H18 Cl2 Cu N4 O4.05 -","- C192 H144 Cl16 Cu8 N32 O32.4 -","8","1","ZV2019","Meier, Alex; Mian, Mohammad Rasel; Ou, Siyu; Lovell, Scott; Mure, Minae","Crystal structures of di-μ-chlorido-bis-({(E)-5-(ethyl-amino)-4-methyl-2-[(pyridin-2-yl)diazen-yl]phen-o-lato}copper(II)) and chlorido-bis-(1,10-phen-anthroline)copper(II) chloride tetra-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","201","206","10.1107/S205698902300138X","","","0.71073","MoKα","","0.0471","0.0451","","","0.128","0.1296","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","282417","2023-04-05","15:59:25",""
"2312053","6.8584","0.0019","25.487","0.007","19.008","0.005","90","","94.669","0.007","90","","3311.6","1.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-Diphenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazine-1,1,4-trione","","- C19 H14 N2 O3 S -","- C19 H14 N2 O3 S -","- C152 H112 N16 O24 S8 -","8","2","","Yennawar, Hemant P.; Mal, Tapas K.; Pacheco, Carlos N.; Lagalante, Anthony F.; Olsen, Mark A.; Russell, Michael W.; Muench, Grace C.; Moyer, Quentin J.; Silverberg, Lee J.","Crystal structures of the sulfones of 2,3-diphenyl-2,3-di-hydro-4H-1,3-benzo-thia-zin-4-one and 2,3-diphenyl-2,3-di-hydro-4H-pyrido[3,2-e][1,3]thia-zin-4-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","221","225","10.1107/S2056989023001524","","","0.71073","MoKα","","0.0773","0.051","","","0.1226","0.1382","","","","","","1.035","","","","has coordinates,has Fobs","282418","2023-04-05","16:00:26",""
"2312054","6.853","0.0006","25.7472","0.0015","19.024","0.0012","90","","97.394","0.007","90","","3328.8","0.4","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-Diphenyl-2,3-dihydro-4H-1,3-benzothiazine-1,1,4-trione","","- C20 H15 N O3 S -","- C20 H15 N O3 S -","- C160 H120 N8 O24 S8 -","8","2","","Yennawar, Hemant P.; Mal, Tapas K.; Pacheco, Carlos N.; Lagalante, Anthony F.; Olsen, Mark A.; Russell, Michael W.; Muench, Grace C.; Moyer, Quentin J.; Silverberg, Lee J.","Crystal structures of the sulfones of 2,3-diphenyl-2,3-di-hydro-4H-1,3-benzo-thia-zin-4-one and 2,3-diphenyl-2,3-di-hydro-4H-pyrido[3,2-e][1,3]thia-zin-4-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","221","225","10.1107/S2056989023001524","","x-ray","1.54184","CuKα","","0.1275","0.0916","","","0.2487","0.2997","","","","","","1.098","","","","has coordinates,has Fobs","282418","2023-04-05","16:00:29",""
"2312055","9.221","0.0005","12.1902","0.0008","13.4982","0.0007","94.413","0.005","95.172","0.004","111.561","0.005","1395.4","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(±,E)-N'-[5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-ylidene]-2-(naphthalen-1-yl)acetohydrazide ethyl acetate monosolvate","","- C31 H30 N2 O7 -","- C31 H30 N2 O7 -","- C62 H60 N4 O14 -","2","1","JY2026","Yennawar, Hemant P.; Sigmon, Anna; Margulis, Eleanora","Crystal structures of three newly synthesized flavanone hydrazones.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","236","240","10.1107/S2056989023001184","","x-ray","1.54184","CuKα","","0.0908","0.0615","","","0.1799","0.2115","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","282419","2023-04-05","16:01:26",""
"2312056","10.0964","0.0009","10.157","0.0008","12.3628","0.001","84.557","0.007","68.169","0.008","82.529","0.007","1165.39","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(±,E)-N'-[5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-ylidene]-4-hydroxybenzohydrazide ethanol monosolvate","","- C24 H24 N2 O7 -","- C24 H24 N2 O7 -","- C48 H48 N4 O14 -","2","1","JY2026","Yennawar, Hemant P.; Sigmon, Anna; Margulis, Eleanora","Crystal structures of three newly synthesized flavanone hydrazones.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","236","240","10.1107/S2056989023001184","","x-ray","1.54184","CuKα","","0.1186","0.0855","","","0.2521","0.3006","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","282419","2023-04-05","16:01:26",""
"2312057","5.0681","0.0006","13.4993","0.0015","17.1144","0.0018","74.392","0.009","86.34","0.01","88.416","0.01","1125.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(±,E)-N'-(6-Methoxy-2-phenylchroman-4-ylidene)-2-(naphthalen-1-yloxy)-acetohydrazide","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C56 H48 N4 O8 -","2","1","JY2026","Yennawar, Hemant P.; Sigmon, Anna; Margulis, Eleanora","Crystal structures of three newly synthesized flavanone hydrazones.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","236","240","10.1107/S2056989023001184","","x-ray","1.54184","CuKα","","0.1618","0.077","","","0.2043","0.2852","","","","","","0.988","","","","has coordinates,has Fobs","282419","2023-04-05","16:01:27",""
"2312058","23.0774","0.0011","12.5622","0.0005","3.8498","0.0002","90","","90","","90","","1116.07","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","S-(Pyridin-2-yl) 4-nitrobenzothioate","","- C12 H8 N2 O3 S -","- C12 H8 N2 O3 S -","- C48 H32 N8 O12 S4 -","4","1","YZ2028","Sample, Harry C.; Twamley, Brendan; Senge, Mathias O.","Structures of S-(pyridin-2-yl) 4-nitro-benzo-thio-ate, S-(pyridin-2-yl) 4-methyl-benzo-thio-ate and S-(pyridin-2-yl) 4-meth-oxy-benzo-thio-ate: building blocks for low-symmetry multifunctional tetra-pyrroles.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","157","162","10.1107/S2056989023001056","","x-ray","1.54178","CuKα","","0.0457","0.0434","","","0.1198","0.1215","","","","","","1.035","","","","has coordinates,has Fobs","282420","2023-04-05","16:02:37",""
"2312059","7.1775","0.0002","9.1492","0.0003","9.2832","0.0003","101.297","0.0014","108.463","0.0013","92.5673","0.0014","563.28","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","S-(Pyridin-2-yl) 4-methylbenzothioate","","- C13 H11 N O S -","- C13 H11 N O S -","- C26 H22 N2 O2 S2 -","2","1","YZ2028","Sample, Harry C.; Twamley, Brendan; Senge, Mathias O.","Structures of S-(pyridin-2-yl) 4-nitro-benzo-thio-ate, S-(pyridin-2-yl) 4-methyl-benzo-thio-ate and S-(pyridin-2-yl) 4-meth-oxy-benzo-thio-ate: building blocks for low-symmetry multifunctional tetra-pyrroles.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","157","162","10.1107/S2056989023001056","","x-ray","1.54178","CuKα","","0.0436","0.0419","","","0.1232","0.126","","","","","","1.122","","","","has coordinates,has Fobs","282420","2023-04-05","16:02:38",""
"2312060","16.4043","0.0006","5.4939","0.0002","13.0741","0.0004","90","","103.175","0.0014","90","","1147.27","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","S-(Pyridin-2-yl) 4-methoxybenzothioate","","- C13 H11 N O2 S -","- C13 H11 N O2 S -","- C52 H44 N4 O8 S4 -","4","1","YZ2028","Sample, Harry C.; Twamley, Brendan; Senge, Mathias O.","Structures of S-(pyridin-2-yl) 4-nitro-benzo-thio-ate, S-(pyridin-2-yl) 4-methyl-benzo-thio-ate and S-(pyridin-2-yl) 4-meth-oxy-benzo-thio-ate: building blocks for low-symmetry multifunctional tetra-pyrroles.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","157","162","10.1107/S2056989023001056","","x-ray","0.71073","MoKα","","0.0492","0.0355","","","0.0807","0.0886","","","","","","1.033","","","","has coordinates,has Fobs","282420","2023-04-05","16:02:38",""
"2312061","7.7329","0.0003","8.2536","0.0003","19.2301","0.0007","90","","90","","90","","1227.35","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-(2-Methoxyphenoxy)phthalonitrile","4-(2-Methoxyphenoxy)benzene-1,2-dicarbonitrile","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","YZ2027","Erzunov, Dmitry; Rassolova, Anastasia; Rumyantsev, Roman; Maizlish, Vladimir; Tikhomirova, Tatiana; Vashurin, Arthur","Crystal structures of 4-(2/3-meth-oxy-phen-oxy)phthalo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","172","176","10.1107/S2056989023000518","","","0.71073","MoKα","","0.059","0.0449","","","0.0889","0.0949","","","","","","1.085","","","","has coordinates,has Fobs","282421","2023-04-05","16:03:22",""
"2312062","8.0609","0.0003","8.4672","0.0004","9.9999","0.0004","104.638","0.001","95.078","0.001","110.57","0.001","606.31","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4-(3-Methoxyphenoxy)phthalonitrile","4-(3-Methoxyphenoxy)benzene-1,2-dicarbonitrile","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C30 H20 N4 O4 -","2","1","YZ2027","Erzunov, Dmitry; Rassolova, Anastasia; Rumyantsev, Roman; Maizlish, Vladimir; Tikhomirova, Tatiana; Vashurin, Arthur","Crystal structures of 4-(2/3-meth-oxy-phen-oxy)phthalo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","172","176","10.1107/S2056989023000518","","","0.71073","MoKα","","0.0434","0.0386","","","0.1017","0.1052","","","","","","1.056","","","","has coordinates,has Fobs","282421","2023-04-05","16:03:22",""
"2312063","11.7187","0.0004","11.7187","0.0004","65.014","0.004","90","","90","","90","","8928.2","0.7","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Bis[1,2-bis(4-tert-butylphenyl)ethylene-1,2-dithiolato(1-)]nickel(II) pentane 0.25-solvate","","- C45.25 H55 Ni S4 -","- C45.25 H55 Ni S4 -","- C362 H440 Ni8 S32 -","8","1","JY2027","Das Gupta, Titir; Applebaum, Jack; Broussard, William; Mack, Carson; Wu, Che; Mague, Joel T.; Donahue, James P.","Bis[1,2-bis-(4-tert-butyl-phen-yl)ethyl-ene-1,2-di-thiol-ato(1-)]nickel(II) pentane 0.25-solvate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","182","186","10.1107/S205698902300097X","","","1.54178","CuKα","","0.0463","0.0449","","","0.1359","0.1379","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","282422","2023-04-05","16:04:04",""
"2312064","9.9499","0.0006","11.2976","0.0009","14.9913","0.0012","68.65","0.008","89.473","0.006","78.976","0.006","1537.2","0.2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","5-[1-Benzyl-6-fluoro-7-(piperidin-1-yl)-quinolin-4(1H)-on-3-yl]-3-(4-methylcyclohex-1-yl)-1,2,4-oxadiazole","7-(piperidin-1-yl)quinolin-4-one","","- C33 H41 F N4 O3 -","- C33 H41 F N4 O3 -","- C66 H82 F2 N8 O6 -","2","1","DX2050","Vaksler, Yevhenii; Hryhoriv, Halyna V.; Ivanov, Vladimir V.; Kovalenko, Sergiy M.; Georgiyants, Victoriya A.; Langer, Thierry","Synthesis, analysis of mol-ecular and crystal structures, estimation of inter-molecular inter-actions and biological properties of 1-benzyl-6-fluoro-3-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-7-(piperidin-1-yl)quinolin-4-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","192","200","10.1107/S2056989023001305","","x-ray","0.71073","MoKα","","0.1435","0.0661","","","0.1586","0.1892","","","","","","0.973","","","","has coordinates,has disorder,has Fobs","282423","2023-04-05","16:04:37",""
"2312065","17.915","0.002","9.8192","0.0013","19.954","0.003","90","","91.15","0.002","90","","3509.4","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(N,N-diethyl-4-methyl-4-piperazine-1-carboxamide) tetrakis(isothiocyanto-κN)cobalt(II)","","- C24 H44 Co N10 O2 S4 -","- C24 H44 Co N10 O2 S4 -","- C96 H176 Co4 N40 O8 S16 -","4","1","ZL5041","Oliver, Allen G.; Lockwood, Tracy-Lynn E; Zinna, Jessica; Lieberman, Marya","Bis(N,N-diethyl-4-methyl-4-piperazine-1-carboxamide) tetra-kis-(iso-thio-cyanato-κN)-cobalt(II), a model compound for the blue color developed in the Scott test.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","163","166","10.1107/S2056989023000981","","","0.71073","MoKα","","0.0643","0.0386","","","0.078","0.087","","","","","","1.008","","","","has coordinates,has Fobs","282424","2023-04-05","16:05:05",""
"2312066","25.2747","0.0012","8.0434","0.0004","15.6617","0.0005","90","","105.384","0.002","90","","3069.9","0.2","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(4-Nitrophenyl)piperazinium hydrogen succinate","","- C14 H19 N3 O6 -","- C14 H19 N3 O6 -","- C112 H152 N24 O48 -","8","1","HB8053","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-nitro-phen-yl)piperazinium salts with hydrogen succinate, 4-amino-benzoate, 2-(4-chloro-phen-yl)acetate and 2,3,4,5,6-penta-fluoro-benzoate anions.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","151","156","10.1107/S2056989023001093","","","0.71073","MoKα","","0.039","0.0339","","","0.0848","0.089","","","","","","1.046","","","","has coordinates,has Fobs","282425","2023-04-05","16:06:09",""
"2312067","6.0453","0.0003","7.393","0.0003","19.1439","0.0006","79.482","0.002","89.215","0.001","83.967","0.001","836.55","0.06","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazinium 4-aminobenzoate monohydrate","","- C17 H22 N4 O5 -","- C17 H22 N4 O5 -","- C34 H44 N8 O10 -","2","1","HB8053","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-nitro-phen-yl)piperazinium salts with hydrogen succinate, 4-amino-benzoate, 2-(4-chloro-phen-yl)acetate and 2,3,4,5,6-penta-fluoro-benzoate anions.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","151","156","10.1107/S2056989023001093","","","0.71073","MoKα","","0.0357","0.0338","","","0.0963","0.0982","","","","","","1.045","","","","has coordinates,has Fobs","282425","2023-04-05","16:06:10",""
"2312068","6.8051","0.0002","9.3927","0.0005","14.3869","0.0007","83.849","0.002","81.283","0.002","72.492","0.002","865.01","0.07","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazinium 2-(4-chlorophenyl)acetate","","- C18 H20 Cl N3 O4 -","- C18 H20 Cl N3 O4 -","- C36 H40 Cl2 N6 O8 -","2","1","HB8053","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-nitro-phen-yl)piperazinium salts with hydrogen succinate, 4-amino-benzoate, 2-(4-chloro-phen-yl)acetate and 2,3,4,5,6-penta-fluoro-benzoate anions.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","151","156","10.1107/S2056989023001093","","","0.71073","MoKα","","0.0328","0.0293","","","0.0716","0.0739","","","","","","1.04","","","","has coordinates,has Fobs","282425","2023-04-05","16:06:10",""
"2312069","5.9779","0.0003","11.3934","0.0008","12.9312","0.0009","75.754","0.002","81.67","0.002","87.717","0.002","844.63","0.09","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","4-(4-Nitrophenyl)piperazinium 2,3,4,5,6-pentafluorobenzoate","","- C17 H14 F5 N3 O4 -","- C17 H14 F5 N3 O4 -","- C34 H28 F10 N6 O8 -","2","1","HB8053","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-nitro-phen-yl)piperazinium salts with hydrogen succinate, 4-amino-benzoate, 2-(4-chloro-phen-yl)acetate and 2,3,4,5,6-penta-fluoro-benzoate anions.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","151","156","10.1107/S2056989023001093","","","0.71073","MoKα","","0.0356","0.0308","","","0.0781","0.0816","","","","","","1.037","","","","has coordinates,has Fobs","282425","2023-04-05","16:06:10",""
"2312070","27.4096","0.0019","7.3301","0.0005","5.9135","0.0003","90","","90","","90","","1188.11","0.13","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","4-Bromo-N-(4-bromobenzylidene)aniline","(E)-N,1-Bis(4-bromophenyl)methanimine","","- C13 H9 Br2 N -","- C13 H9 Br2 N -","- C52 H36 Br8 N4 -","4","0.5","HB8048","Subashini, A.; Ramamurthi, K.; Ramesh Babu, R.; Philip, Reji; Stoeckli-Evans, Helen","Synthesis, crystal structure and Hirshfeld surface analysis of the ortho-rhom-bic polymorph of 4-bromo-N-(4-bromo-benzyl-idene)aniline.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","146","150","10.1107/S2056989023001111","","","0.71073","MoKα","","0.0533","0.0365","","","0.0572","0.0609","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","282426","2023-04-05","16:06:49",""
"2312071","9.3923","0.0007","10.6505","0.0008","12.2955","0.0009","78.001","0.002","74.374","0.002","69.853","0.002","1102.97","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis(μ-4-methylbenzoato-κ^2^O:O')[bis(tetrahydrofuran-κO)molybdenum(II)] tetrahydrofuran disolvate","","- C48 H60 Mo2 O12 -","- C48 H60 Mo2 O12 -","- C48 H60 Mo2 O12 -","1","0.5","EX2066","Bass, Lillian Dawson; Lee, Jessie H.; Lilygren, McKenzie C; Hartnett, Alaina C.; Campbell, Brandon M.; Morphet, Daniel R.; Dogutan, Dilek K.; Zheng, Shao-Liang","Crystal structure of a methyl benzoate quadruple-bonded dimolybdenum complex.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","231","235","10.1107/S2056989023001457","","","0.71073","MoKα","","0.0281","0.0256","","","0.0649","0.0665","","","","","","1.089","","","","has coordinates,has Fobs","282427","2023-04-05","16:07:09",""
"2312072","30.7086","0.0014","5.2471","0.0003","8.0359","0.0004","90","","97.471","0.007","90","","1283.84","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[(4-Methylbenzyl)oxy]benzohydrazide","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","WM5671","Banna, Md Hasan Al; Howlader, Md Belayet Hossain; Miyatake, Ryuta; Sheikh, Md Chanmiya; Ansary, Md Rezaul Haque; Zangrando, Ennio","Crystal structures of 4-[(4-methyl-benz-yl)-oxy]benzohydrazide and its N'-[(thio-phen-2-yl)-methyl-idene]- derivative.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","207","211","10.1107/S2056989023001354","","","0.71075","MoKα","","0.0498","0.044","","","0.1217","0.1261","","","","","","1.043","","","","has coordinates,has Fobs","282428","2023-04-05","16:07:49",""
"2312073","11.3725","0.0008","7.8492","0.0005","39.286","0.002","90","","90","","90","","3506.9","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(4-Methylbenzyl)oxy]-N'-[(thiophen-2-yl)methylidene]benzohydrazide","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C160 H144 N16 O16 S8 -","8","1","WM5671","Banna, Md Hasan Al; Howlader, Md Belayet Hossain; Miyatake, Ryuta; Sheikh, Md Chanmiya; Ansary, Md Rezaul Haque; Zangrando, Ennio","Crystal structures of 4-[(4-methyl-benz-yl)-oxy]benzohydrazide and its N'-[(thio-phen-2-yl)-methyl-idene]- derivative.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","207","211","10.1107/S2056989023001354","","","0.71075","MoKα","","0.1531","0.0782","","","0.1693","0.201","","","","","","1.022","","","","has coordinates,has Fobs","282428","2023-04-05","16:07:50",""
"2312074","11.874","0.004","19.579","0.007","24.374","0.009","90","","90","","90","","5666","3","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2,6-Diisopropyldinaphtho[2,1-d:1',2'-f][1,3]dithiepin-4-yl)(phenyl)methanol atropisomer","","- C34 H32 O S2 -","- C34 H32 O S2 -","- C272 H256 O8 S16 -","8","1","HB8055","Beare, Neil; Painter, Gavin F.; McAdam, C. John","Syntheses and crystal structure of a (2,6-diiso-propyldi-naphtho-[2,1-d:1',2'-f][1,3]dithiepin-4-yl)(phen-yl)methanol atropisomer.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","241","245","10.1107/S2056989023001706","","","0.71073","MoKα","","0.1169","0.0498","","","0.0986","0.127","","","","","","1.061","","","","has coordinates,has Fobs","282429","2023-04-05","16:08:23",""
"2312075","4.228","0.001","4.228","0.001","5.481","0.002","90","","90","","120","","84.85","0.04","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","(Tin, lead, bismuth) platinum","","- Bi0.31 Pb0.54 Pt Sn0.15 -","- Bi0.31 Pb0.54 Pt Sn0.148 -","- Bi0.62 Pb1.08 Pt2 Sn0.296 -","2","0.0833333","","Rössner, Leonard; Prots, Yurii; Grin, Yuri; Armbrüster, Marc","The crystal structure of quaternary (Sn,Pb,Bi)Pt.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","129","131","10.1107/S2056989023000956","","x-ray","0.71073","MoKα","","0.0272","0.0247","","","0.0406","0.0414","","","","","","1.512","","","","has coordinates","283600","2023-05-06","10:50:01",""
"2312076","10.0779","0.0001","31.1307","0.0003","9.336","0.0001","90","","90.986","0.001","90","","2928.57","0.05","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3-Diiodoperchlorobenzene–rtct-1,2,3,4-tetrakis(pyridin-4-yl)cyclobutane","1,3-Diiodo-2,4,5,6-tetrachlorobenzene–rtct-1,2,3,4-tetrakis(pyridin-4-yl)cyclobutane","","- C30 H20 Cl4 I2 N4 -","- C30 H20 Cl4 I2 N4 -","- C120 H80 Cl16 I8 N16 -","4","1","ZL5042","Bosch, Eric; Unruh, Daniel K.; Santana, Carlos L.; Groeneman, Ryan H.","Halogen-bonded co-crystal containing 1,3-di-iodo-perchloro-benzene and the photoproduct rtct-tetra-kis-(pyridin-4-yl)cyclo-butane resulting in a zigzag topology.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","212","215","10.1107/S2056989023001408","","x-ray","1.54184","CuKα","","0.0446","0.0433","","","0.1136","0.1146","","","","","","1.055","","","","has coordinates,has Fobs","282432","2023-04-05","16:09:50",""
"2312101","7.254","0.0002","7.7223","0.0002","13.291","0.0004","90","","90","","90","","744.53","0.04","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","catena-Poly[cadmium(II)-di-μ-bromido-μ-pyridazine-κ^2^N^1^:N^2^]","","- C4 H4 Br2 Cd N2 -","- C4 H4 Br2 Cd N2 -","- C16 H16 Br8 Cd4 N8 -","4","0.25","HB8056","Näther, Christian; Jess, Inke","Syntheses, crystal structures and thermal properties of catena-poly[cadmium(II)-di-μ-bromido-μ-pyridazine-κ2 N 1:N 2] and catena-poly[cadmium(II)-di-μ-iodido-μ-pyridazine-κ2 N 1:N 2].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","302","307","10.1107/S2056989023002001","","x-ray","0.71073","MoKα","","0.0225","0.0195","","","0.0563","0.0569","","","","","","1.16","","","","has coordinates,has Fobs","283565","2023-05-06","10:20:26",""
"2312102","7.574","0.0002","8.2979","0.0002","13.5363","0.0004","90","","90","","90","","850.73","0.04","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","catena-Poly[cadmium(II)-di-μ-iodido-μ-pyridazine-κ^2^N^1^:N^2^]","","- C4 H4 Cd I2 N2 -","- C4 H4 Cd I2 N2 -","- C16 H16 Cd4 I8 N8 -","4","0.25","","Näther, Christian; Jess, Inke","Syntheses, crystal structures and thermal properties of catena-poly[cadmium(II)-di-μ-bromido-μ-pyridazine-κ2 N 1:N 2] and catena-poly[cadmium(II)-di-μ-iodido-μ-pyridazine-κ2 N 1:N 2].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","302","307","10.1107/S2056989023002001","","x-ray","0.71073","MoKα","","0.0169","0.0164","","","0.0454","0.0458","","","","","","1.176","","","","has coordinates,has Fobs","283565","2023-05-06","10:20:26",""
"2312103","17.8598","0.0008","15.0255","0.0007","33.92","0.002","90","","90","","90","","9102.5","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-({[2-(Dimethylamino-κN)ethyl]imino-κN}methyl)phenolato-κO](1,10-phenanthroline-κ^2^N,N')copper(II) perchlorate","","- C23 H23 Cl Cu N4 O5 -","- C23 H23 Cl Cu N4 O5 -","- C368 H368 Cl16 Cu16 N64 O80 -","16","2","DJ2061","Mamindla, Anjaneyulu; Varadhan, Manikandan; Velusamy, Marappan; Ulaganathan, Venkatasubramanian; Rajendiran, Venugopal","Crystal structure of [2-({[2-(dimethylamino-κN)ethyl]imino-κN}methyl)phenolato-κO](1,10-phen-anthroline-κ2 N,N')copper(II) perchlorate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","259","263","10.1107/S2056989023001767","","","0.71073","MoKα","","0.0891","0.0535","","","0.1121","0.1298","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","283566","2023-05-06","10:21:17",""
"2312104","12.5276","0.0009","12.5276","0.0009","12.5276","0.0009","90","","90","","90","","1966.1","0.2","296","2","296","2","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Trisodium ditellurium(VI) triiron(III) dodecaoxide","","- Fe3 Na3 O12 Te2 -","- Fe3 Na3 O12 Te2 -","- Fe24 Na24 O96 Te16 -","8","0.0833333","PK2684","Eder, Felix; Weil, Matthias","Garnet-type Na3Te2(FeO4)3.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","328","330","10.1107/S2056989023002293","","","0.71073","MoKα","","0.0289","0.0173","","","0.0376","0.0413","","","","","","1.161","","","","has coordinates,has Fobs","283567","2023-05-06","10:21:53",""
"2312105","11.1351","0.0001","17.0545","0.0002","19.9131","0.0003","90","","90","","90","","3781.57","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","/ (2^2^RS,2^3^SR,2^5^RS,2^6^SR)-\ 2^3^,2^5^,5-trimethyl-2^1^-(2,2,2-\ trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-difuranacyclohexaphan-\ 2^4^-one","","- C20 H21 F3 N2 O4 -","- C20 H21 F3 N2 O4 -","- C160 H168 F24 N16 O32 -","8","1","TX2063","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Ershova, Anastasia A.; Grigoriev, Mikhail S.; Rocha, Bruno G. M.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (22 RS,23 SR,25 RS,26 SR)-23,25,5-trimethyl-21-(2,2,2-tri-fluoro-acet-yl)-5-aza-2(2,6)-piperidina-1,3(2,5)-di-furana-cyclo-hexa-phan-24-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","292","296","10.1107/S2056989023001986","","","1.54184","CuKα","","0.0389","0.0368","","","0.1005","0.1022","","","","","","1.034","","","","has coordinates,has Fobs","283568","2023-05-06","10:23:22",""
"2312106","11.5663","0.0005","15.4045","0.0008","22.8256","0.0011","90","","99.209","0.004","90","","4014.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ~3~-chlorido-tetra-μ~2~-chlorido-tetrakis(diethyl ether-κO)bis(1,1-dimethylethyl)tetramagnesium","","- C24 H58 Cl6 Mg4 O4 -","- C24 H58 Cl6 Mg4 O4 -","- C96 H232 Cl24 Mg16 O16 -","4","1","WM5675","Metzler, Maurice; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","Crystal structure of [tBuMgCl]2[MgCl2(Et2O)2]2.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","341","344","10.1107/S2056989023002190","","","0.71073","MoKα","","0.0486","0.0302","","","0.0621","0.0662","","","","","","0.928","","","","has coordinates,has Fobs","283569","2023-05-06","10:24:31",""
"2312107","15.7256","0.0005","7.0155","0.0002","20.0725","0.0006","90","","101.242","0.002","90","","2171.97","0.11","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","rac-1-(4-tert-Butylphenyl)-5-ethyl-4-ferrocenyl-\ 5-hydroxy-1H-pyrrol-2(5H)-one","","- C26 H29 Fe N O2 -","- C26 H29 Fe N O2 -","- C104 H116 Fe4 N4 O8 -","4","1","JQ2026","Biletzki, Tobias; Görls, Helmar; Imhof, Wolfgang","rac-1-(4-tert-Butyl-phen-yl)-5-ethyl-4-ferrocenyl-5-hy-droxy-1H-pyrrol-2(5H)-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","264","266","10.1107/S2056989023001858","","","0.71073","MoKα","","0.1219","0.0732","","","0.1253","0.1436","","","","","","1.151","","","","has coordinates,has disorder,has Fobs","283570","2023-05-06","10:26:00",""
"2312113","9.6757","0.0008","10.0381","0.0008","11.4947","0.001","90","","112.489","0.006","90","","1031.53","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetraaquabis(isonicotinamide-κN^1^)cobalt(II) succinate","Tetraaquabis(isonicotinamide-κN^1^)cobalt(II) butanedioate","","- C16 H24 Co N4 O10 -","- C16 H24 Co N4 O10 -","- C32 H48 Co2 N8 O20 -","2","0.5","SU5446","Kansiz, Sevgi; Malinkin, Sergey; Dege, Necmi","Synthesis, crystal structure and Hirshfeld surface analysis of tetra-aqua-bis-(isonicotinamide-κN1)cobalt(II) succinate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","1026","1029","10.1107/S2056989018008861","","","0.71073","MoKα","","0.0466","0.0337","","","0.0822","0.0868","","","","","","1.017","","","","has coordinates,has Fobs","283998","2023-05-25","02:03:28",""
"2312114","8.4027","0.0008","12.8657","0.0013","14.4266","0.0014","113.144","0.002","91.133","0.002","105.501","0.002","1368.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Bis(tert-butyldimethylsilyloxy)dioxomolybdenum(2,2'-bipyridyl)","(2,2'-Bipyridine-κ^2^N,N')-trans-bis(tert-\ butyldimethylsilyloxy)-cis-dioxiomolybdenum(VI)","","- C22 H38 Mo N2 O4 Si2 -","- C22 H38 Mo N2 O4 Si2 -","- C44 H76 Mo2 N4 O8 Si4 -","2","1","","Minyaev, Mikhail E.; Vinogradov, Alexander A.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Crystal structure of (2,2'-bi-pyridine-κ2N,N')-trans-bis-(tert-butyl-dimethyl-sil-yloxy)-cis-dioxidomolybdenum(VI).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","970","972","10.1107/S2056989018008472","","","0.71073","MoKα","","0.0543","0.0343","","","0.0686","0.0747","","","","","","1.007","","","","has coordinates,has Fobs","283999","2023-05-25","02:03:53",""
"2312115","25.7341","0.0003","25.7341","0.0003","124.079","0.004","90","","90","","120","","71162","3","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Triacontakis[(4-carboxylatophenyl)sulfanido]dodecagolddotriacontasilver","","- C210 H150 Ag32 Au12 O60 S30 -","- C210 H150 Ag32 Au12 O60 S30 -","- C1260 H900 Ag192 Au72 O360 S180 -","6","0.166667","WM5444","Conn, Brian E.; Bhattarai, Badri; Atnagulov, Aydar; Yoon, Bokwon; Landman, Uzi; Bigioni, Terry P.","M4Au12Ag32(p-MBA)30 (M = Na, Cs) bimetallic monolayer-protected clusters: synthesis and structure.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","987","993","10.1107/S2056989018008393","","","1.54178","CuKα","","0.0464","0.0398","","","0.1326","0.1393","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","284000","2023-05-25","02:05:48",""
"2312116","13.0162","0.0005","13.6078","0.0005","18.3382","0.0007","90","","99.937","0.002","90","","3199.4","0.2","150","","150.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","mer-Tris[2-(1H-imidazol-2-yl-κN^3^)pyrimidine-κ^2^N^1^]ruthenium(II) bis(hexafluoridophosphate) trihydrate","","- C21 H18 F12 N12 O3 P2 Ru -","- C21 H18 F12 N12 O3 P2 Ru -","- C84 H72 F48 N48 O12 P8 Ru4 -","4","1","WM5447","Bibi, Naheed; Guerra, Renan Barrach; Huamaní, Luis Enrique Santa Cruz; Formiga, André Luiz Barboza","Crystal structure, electrochemical and spectroscopic investigation of mer-tris-[2-(1H-imidazol-2-yl-κN3)pyrimidine-κN1]ruthenium(II) bis-(hexa-fluorido-phosphate) trihydrate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","874","877","10.1107/S2056989018007995","","","1.54178","CuKα","","0.0866","0.0788","","","0.2174","0.2293","","","","","","1.076","","","","has coordinates,has Fobs","284001","2023-05-25","02:06:29",""
"2312117","11.1441","0.001","18.087","0.0017","16.9621","0.0016","90","","106.246","0.001","90","","3282.4","0.5","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","cis-[1,2-Bis(diphenylphosphanyl)ethene-κ^2^P,P']dichloridoplatinum(II) chloroform disolvate","","- C28 H24 Cl8 P2 Pt -","- C28 H24 Cl8 P2 Pt -","- C112 H96 Cl32 P8 Pt4 -","4","1","","Mugemana, Jimmy; Bender, John; Staples, Richard J.; Biros, Shannon M.","Crystal structure of cis-[1,2-bis-(di-phenyl-phosphan-yl)ethene-κ2P,P']di-chlorido-platinum(II) chloro-form disolvate: a new polymorph.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","998","1001","10.1107/S2056989018008836","","","0.71073","MoKα","","0.0789","0.0419","","","0.0996","0.1221","","","","","","1.03","","","","has coordinates,has Fobs","284002","2023-05-25","02:07:04",""
"2312158","7.4918","0.0003","27.814","0.0011","10.2023","0.0004","90","","97.053","0.002","90","","2109.84","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Isopropyl 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Propan-2-yl 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C23 H25 F4 N O3 -","- C23 H25 F4 N O3 -","- C92 H100 F16 N4 O12 -","4","1","TX2062","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of isopropyl 4-[2-fluoro-5-(tri-fluoro-meth-yl)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","187","191","10.1107/S205698902300141X","","","0.71073","MoKα","","0.0748","0.0455","","","0.1038","0.129","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","285616","2023-08-11","01:52:14",""
"2312159","8.2032","0.0002","9.4084","0.0003","10.8312","0.0003","70.9328","0.0008","76.1237","0.0009","74.2486","0.0009","749.84","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ~2~-iodido-bis[(2,2'-biquinoline-κ^2^N,N')copper(I)]","","- C36 H24 Cu2 I2 N4 -","- C36 H24 Cu2 I2 N4 -","- C36 H24 Cu2 I2 N4 -","1","0.5","DJ2055","Temesgen, Ayalew W.; Novikov, Anton P.; Tskhovrebov, Alexander G.; Kultyshkina, Ekaterina K.; Le, Tuan Anh","Synthesis, crystal structure and Hirshfeld surface analysis of di-μ2-iodido-bis-[(2,2'-bi-quinoline-κ2 N,N')copper(I)].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","132","135","10.1107/S2056989023000634","","","0.71073","MoKα","","0.0266","0.0209","","","0.0484","0.0503","","","","","","1.065","","","","has coordinates,has Fobs","285617","2023-08-11","01:52:37",""
"2312160","7.522","0.0006","10.1067","0.0008","10.1973","0.0009","108.932","0.009","101.922","0.01","111.088","0.009","636.62","0.13","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-iodido-bis[bis(2-chloropyrazine-κN)copper(I)]","","- C16 H12 Cl4 Cu2 I2 N8 -","- C16 H12 Cl4 Cu2 I2 N8 -","- C16 H12 Cl4 Cu2 I2 N8 -","1","0.5","JQ2025","Näther, Christian; Jess, Inke","Synthesis, crystal structure and thermal properties of di-μ-iodido-bis-[bis-(2-chloro-pyrazine-κN)copper(I)].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","167","171","10.1107/S2056989023001238","","","0.71073","MoKα","","0.0421","0.0372","","","0.0966","0.0995","","","","","","1.015","","","","has coordinates,has Fobs","285619","2023-08-11","01:54:07",""
"2312161","13.2385","0.0002","14.5713","0.0003","20.3505","0.0004","90","","90","","90","","3925.66","0.13","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (R)-3-{(1R,4S)-6-methoxy-4,7-dimethyl-5,8-bis[(triisopropylsilyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl}butanoate","","- C36 H66 O5 Si2 -","- C36 H66 O5 Si2 -","- C144 H264 O20 Si8 -","4","1","VM2277","Kaiser, Maximilian; Weil, Matthias; Gärtner, Peter; Enev, Valentin","Crystal structures of two 1,2,3,4-tetra-hydro-naphthalenes obtained during efforts towards the total synthesis of elisabethin A.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","177","181","10.1107/S2056989023001226","","","0.71073","MoKα","","0.0573","0.042","","","0.1032","0.1119","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","285620","2023-08-11","01:55:03",""
"2312162","12.0078","0.0007","9.262","0.0006","12.1411","0.0008","90","","104.091","0.0014","90","","1309.66","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl (E)-3-{(1R,4S)-8-hydroxy-6-methoxy-4,7-dimethyl-5-[(triisopropylsilyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl}acrylate","","- C26 H42 O5 Si -","- C26 H42 O5 Si -","- C52 H84 O10 Si2 -","2","1","VM2277","Kaiser, Maximilian; Weil, Matthias; Gärtner, Peter; Enev, Valentin","Crystal structures of two 1,2,3,4-tetra-hydro-naphthalenes obtained during efforts towards the total synthesis of elisabethin A.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","177","181","10.1107/S2056989023001226","","","0.71073","MoKα","","0.0398","0.0346","","","0.0858","0.0884","","","","","","1.039","","","","has coordinates,has Fobs","285620","2023-08-11","01:55:13",""
"2312163","37.3964","0.0018","18.478","0.0007","5.1164","0.0002","90","","90","","90","","3535.5","0.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(4-methylpyridine-κN)bis(selenocyanato-κN)zinc(II)","","- C14 H14 N4 Se2 Zn -","- C14 H14 N4 Se2 Zn -","- C112 H112 N32 Se16 Zn8 -","8","0.5","HB8052","Näther, Christian; Jess, Inke","Syntheses and crystal structures of bis-(4-methyl-pyridine-κN)bis-(seleno-cyanato-κN)zinc(II) and catena-poly[[bis-(4-methyl-pyridine-κN)cadmium(II)]-di-μ-seleno-cyanato-κ2 N:Se;κ2 Se:N].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","136","141","10.1107/S2056989023000920","","","0.71073","MoKα","","0.0323","0.029","","","0.0652","0.0665","","","","","","1.13","","","","has coordinates,has Fobs","285621","2023-08-11","01:57:45",""
"2312164","20.7296","0.0011","9.4896","0.0003","19.7364","0.001","90","","113.794","0.003","90","","3552.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bis(4-methylpyridine-κN)cadmium(II)]-di-μ-selenocyanato-κ^2^N:Se;κ^2^Se:N]","","- C14 H14 Cd N4 Se2 -","- C14 H14 Cd N4 Se2 -","- C112 H112 Cd8 N32 Se16 -","8","1","HB8052","Näther, Christian; Jess, Inke","Syntheses and crystal structures of bis-(4-methyl-pyridine-κN)bis-(seleno-cyanato-κN)zinc(II) and catena-poly[[bis-(4-methyl-pyridine-κN)cadmium(II)]-di-μ-seleno-cyanato-κ2 N:Se;κ2 Se:N].","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","136","141","10.1107/S2056989023000920","","","0.71073","MoKα","","0.0512","0.0391","","","0.0722","0.076","","","","","","1.13","","","","has coordinates,has Fobs","285621","2023-08-11","01:57:45",""
"2312358","7.6217","0.0002","23.4434","0.0006","20.6877","0.0006","90","","90","","90","","3696.45","0.17","300.7","0.2","300.7","0.2","","","","","","","","3","C m c m","-C 2c 2","63","","Hexatriacontaaluminium hexadecaruthenium decasilicon","","- Al36.29 Ru16.1 Si10.46 -","- Al36.291 Ru16.1038 Si10.4582 -","- Al145.164 Ru64.4152 Si41.8328 -","4","0.25","WM5690","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Crystal structures of five compounds in the aluminium-ruthenium-silicon system.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","946","951","10.1107/S2056989023008393","","x-ray","0.71073","MoKα","","0.0215","0.0152","","","0.03","0.0316","","","","","","1.042","","","","has coordinates,has Fobs","287825","2023-11-28","07:32:13",""
"2312359","10.4479","0.0002","10.4479","0.0002","19.6774","0.0004","90","","90","","120","","1860.19","0.06","295.9","0.2","295.9","0.2","","","","","","","","3","R -3 :H","-R 3","148","","Docosaaluminium nonaruthenium decasilicon","","- Al22.4 Ru9 Si9.6 -","- Al22.4 Ru9 Si9.6 -","- Al67.2 Ru27 Si28.8 -","3","0.166667","WM5690","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Crystal structures of five compounds in the aluminium-ruthenium-silicon system.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","946","951","10.1107/S2056989023008393","","x-ray","0.71073","MoKα","","0.0144","0.0126","","","0.0232","0.0237","","","","","","1.08","","","","has coordinates,has Fobs","287825","2023-11-28","07:32:20",""
"2312360","15.0794","0.0002","11.8713","0.0002","16.9291","0.0003","90","","90","","90","","3030.51","0.08","297.5","0.3","297.5","0.3","","","","","","","","3","P n m a","-P 2ac 2n","62","","Heptacosaaluminium decaruthenium tridecasilicon","","- Al27.17 Ru10 Si13.48 -","- Al27.174 Ru10 Si13.48 -","- Al108.696 Ru40 Si53.92 -","4","0.5","WM5690","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Crystal structures of five compounds in the aluminium-ruthenium-silicon system.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","946","951","10.1107/S2056989023008393","","x-ray","0.71073","MoKα","","0.0222","0.0151","","","0.0248","0.0261","","","","","","1.013","","","","has coordinates,has Fobs","287825","2023-11-28","07:32:36",""
"2312361","6.20079","0.00008","6.20079","0.00008","9.6937","0.0002","90","","90","","90","","372.721","0.01","296.6","0.3","296.6","0.3","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Trialuminium ruthenium disilicon","","- Al2.83 Ru Si2.17 -","- Al2.832 Ru Si2.168 -","- Al11.328 Ru4 Si8.672 -","4","0.125","WM5690","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Crystal structures of five compounds in the aluminium-ruthenium-silicon system.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","946","951","10.1107/S2056989023008393","","x-ray","0.71073","MoKα","","0.0105","0.0094","","","0.0211","0.0214","","","","","","1.208","","","","has coordinates,has Fobs","287825","2023-11-28","07:32:54",""
"2312362","8.63058","0.00014","8.79888","0.00015","17.462","0.0003","90","","90","","90","","1326.05","0.04","300.7","0.2","300.7","0.2","","","","","","","","3","C m c m","-C 2c 2","63","","Tetraaluminium diruthenium pentasilicon","","- Al4.09 Ru2 Si4.91 -","- Al4.09 Ru2 Si4.91 -","- Al32.72 Ru16 Si39.28 -","8","0.5","WM5690","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Crystal structures of five compounds in the aluminium-ruthenium-silicon system.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","946","951","10.1107/S2056989023008393","","x-ray","0.71073","MoKα","","0.0111","0.0105","","","0.0268","0.027","","","","","","1.311","","","","has coordinates,has Fobs","287825","2023-11-28","07:33:14",""
"2312386","8.196","0.0007","10.4671","0.0011","14.7926","0.0014","105.254","0.004","92.903","0.003","90.356","0.004","1222.5","0.2","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","cis-Bis[bis(pyrimidin-2-yl)amine-κN]bis(dicyanamido-κN^1^)iron(II) dihydrate","","- C20 H18 Fe N16 O2 -","- C20 H18 Fe N16 O2 -","- C40 H36 Fe2 N32 O4 -","2","1","HB8076","Saadallah, Yaakoub; Setifi, Zouaoui; Jelsch, Christian; Setifi, Fatima; Al-Douh, Mohammed Hadi; Satour, Achouak; Glidewell, Christopher","Racemic cis-bis-[bis-(pyrimidin-2-yl)amine-κN]bis(dicyanamido-κN1)iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","936","941","10.1107/S2056989023008186","","","0.71073","MoKα","","0.069","0.0669","","","0.1565","0.1573","","","","","","1.119","","","","has coordinates,has Fobs","289229","2024-01-31","03:21:47",""
"2312387","12.3055","0.0008","12.1464","0.0008","14.9763","0.0009","90","","99.509","0.001","90","","2207.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cyclo-Tetrabromido-1κ^2^Br,3κ^2^Br-tetrakis(μ~2~-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ^3^N,S:S)tetramercury(II)","","- C32 H44 Br4 Hg4 N8 S4 -","- C32 H44 Br4 Hg4 N8 S4 -","- C64 H88 Br8 Hg8 N16 S8 -","2","0.5","YZ2039","Thomas, Isla D.; Kocher, Kathryn R.; Viehweg, Julie A.; Pike, Robert D.; Bebout, Deborah C.","Crystal structure and Hirshfeld surface analysis of cyclo-tetra-bromido-1κ2Br,3κ2Br-tetra-kis-(μ2-2-{[(pyridin-2-yl)meth-yl]amino}-ethane-1-thiol-ato-κ3N,S:S)tetra-mercury(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","952","957","10.1107/S205698902300823X","","","0.71073","MoKα","","0.0183","0.0159","","","0.0335","0.0341","","","","","","1.183","","","","has coordinates,has Fobs","289230","2024-01-31","03:22:09",""
"2312388","12.7195","0.0009","10.281","0.003","36.735","0.003","90","","90","","90","","4803.8","1.5","180","0.1","180","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis{3-(3,4-dimethoxyphenyl)-5-[6-(pyrazol-1-yl)pyridin-2-yl]-\ 1,2,4-triazol-3-ato}iron(II)–methanol–chloroform (1/2/2)","","- C40 H40 Cl6 Fe N12 O6 -","- C40 H40 Cl6 Fe N12 O6 -","- C160 H160 Cl24 Fe4 N48 O24 -","4","0.5","TX2075","Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu; Seredyuk, Maksym","Crystal structure of bis-{3-(3,4-di-meth-oxy-phen-yl)-5-[6-(pyrazol-1-yl)pyridin-2-yl]-1,2,4-triazol-3-ato}iron(II)-methanol-chloro-form (1/2/2).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","962","966","10.1107/S2056989023008423","","x-ray","0.71073","MoKα","","0.159","0.0791","","","0.1178","0.1446","","","","","","1.034","","","","has coordinates,has Fobs","289231","2024-01-31","03:22:37",""
"2312389","10.9679","0.0005","16.924","0.0007","13.3536","0.0005","90","","114.015","0.001","90","","2264.15","0.16","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(tert-butyl isocyanide-κC)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ^4^N]iron(II)","","- C54 H42 Cl4 Fe N6 -","- C54 H42 Cl4 Fe N6 -","- C108 H84 Cl8 Fe2 N12 -","2","0.5","HB8075","Nasri, Soumaya","Synthesis and crystal structure of bis-(tert-butyl isocyanide-κC)[5,10,15,20-tetra-kis-(4-chloro-phen-yl)porphyrinato-κ4N]iron(II).","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","931","935","10.1107/S2056989023008083","","","0.71073","MoKα","","0.0542","0.0333","","","0.0733","0.083","","","","","","1.047","","","","has coordinates,has Fobs","289232","2024-01-31","03:23:01",""
"2312390","5.483","0.0007","6.4533","0.0011","12.171","0.002","87.274","0.005","85.912","0.005","82.629","0.009","425.69","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","1,4-Diiodoperchlorobenzene–naphthalene (1/1)","1,2,4,5-Tetrachloro-3,6-diiodobenzene–naphthalene (1/1)","","- C16 H8 Cl4 I2 -","- C16 H8 Cl4 I2 -","- C16 H8 Cl4 I2 -","1","0.5","JY2037","Bosch, Eric; Reinheimer, Eric W.; Unruh, Daniel K.; Groeneman, Ryan H.","Co-crystal sustained by π-type halogen-bonding inter-actions between 1,4-di-iodo-perchloro-benzene and naphthalene.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","958","961","10.1107/S2056989023008356","","","0.71073","MoKα","","0.0172","0.0167","","","0.0376","0.0379","","","","","","1.09","","","","has coordinates,has Fobs","289233","2024-01-31","03:23:26",""
"2312391","12.113","0.0007","7.3062","0.0004","14.0441","0.0008","90","","91.589","0.002","90","","1242.42","0.12","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Diaquabis(1-phenylpropane-1,2-diamine-κ^2^N,N')nickel(II) dichloride dihydrate","","- C18 H36 Cl2 N4 Ni O4 -","- C18 H32 Cl2 N4 Ni O4 -","- C36 H64 Cl4 N8 Ni2 O8 -","2","0.5","WM5696","Akila, Shanmugasundaram; Vidhyasagar, Thankakan; Thiruvalluvar, Aravazhi Amalan; Rajeswari, Krishnan","Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of trans-di-aqua-bis-(1-phenyl-propane-1,2-di-amine-κ2N,N')nickel(II) dichloride dihydrate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","967","971","10.1107/S2056989023008538","","","0.71073","MoKα","","0.0783","0.0607","","","0.1285","0.14","","","","","","1.076","","","","has coordinates,has Fobs","289234","2024-01-31","03:23:56",""
"2312392","8.9681","0.0011","7.9033","0.0009","12.498","0.0016","90","","90.254","0.006","90","","885.82","0.19","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Indium dilead pentachloride","","- Cl10 In2 Pb4 -","- Cl10 In2 Pb4 -","- Cl20 In4 Pb8 -","2","0.5","PK2694","Lewis, Michael P.; Kandel, Ramjee; Schatte, Gabriele; Wang, Peng L.","Growth and characterization of a new inorganic metal-halide crystal structure, InPb2Cl5.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 10","942","945","10.1107/S2056989023007892","","x-ray","0.71073","MoKα","","0.0262","0.0208","","","0.0394","0.0419","","","","","","1.079","","","","has coordinates,has Fobs","289235","2024-01-31","03:24:16",""
"2312398","18.1825","0.0008","5.6191","0.0003","23.0548","0.0012","90","","94.76","0.004","90","","2347.4","0.2","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-({5-[(Naphthalen-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethanone","","- C27 H20 N4 O3 S -","- C27 H20 N4 O3 S -","- C108 H80 N16 O12 S4 -","4","1","ZV2033","Le, Trong Duc; Nguyen, Tien Cong; Hoang, Thi Kim Dung; Huynh, Minh Khoi; Phan, Quang Thang; Van Meervelt, Luc","Synthesis, crystal structure and Hirshfeld surface analysis of 2-({5-[(naphthalen-1-yl)meth-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfan-yl)-1-(4-nitro-phen-yl)ethanone.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","218","222","10.1107/S2056989024000859","","x-ray","0.71073","MoKα","","0.1096","0.0598","","","0.1245","0.1527","","","","","","1.022","","","","has coordinates","290311","2024-03-05","20:25:49",""
"2312399","8.383","0.0007","9.2872","0.0007","11.2981","0.0009","78.991","0.006","71.009","0.006","74.174","0.006","795.14","0.12","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","(E)-N,N-Diethyl-4-{[(4-methoxyphenyl)imino]methyl}aniline","","- C18 H22 N2 O -","- C18 H22 N2 O -","- C36 H44 N4 O2 -","2","1","","Subashini, A.; Kumaravel, R.; Tharmalingam, B.; Ramamurthi, K.; Crochet, Aurélien; Stoeckli-Evans, Helen","(E)-N,N-Diethyl-4-{[(4-meth-oxy-phen-yl)imino]-meth-yl}aniline: crystal structure, Hirshfeld surface analysis and energy framework.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","201","206","10.1107/S2056989024000574","","x-ray","0.71073","MoKα","","0.0496","0.0352","","","0.0924","0.0999","","","","","","1.038","","","","has coordinates","290312","2024-03-05","20:26:03",""
"2312400","11.7033","0.00008","12.55284","0.00009","17.5256","0.0002","93.5044","0.0008","91.8625","0.0008","115.071","0.0007","2322.89","0.04","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","Tris(4-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II)","","- C20 H21 Co N5 O3 S2 -","- C20 H21 Co N5 O3 S2 -","- C80 H84 Co4 N20 O12 S8 -","4","2","HB8092","Näther, Christian; Jess, Inke","Synthesis and crystal structure of diiso-thio-cyanato-tetra-kis-(4-methyl-pyridine N-oxide)cobalt(II) and diiso-thio-cyanato-tris-(4-methyl-pyridine N-oxide)cobalt(II) showing two different metal coordination polyhedra.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","174","179","10.1107/S2056989024000471","","x-ray","1.54184","CuKα","","0.0294","0.0287","","","0.0804","0.081","","","","","","1.071","","","","has coordinates","290313","2024-03-05","20:26:21",""
"2312401","7.0709","0.0003","9.6651","0.0005","11.0401","0.0004","90.609","0.003","96.346","0.003","108.09","0.004","711.99","0.06","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","Tetrakis(4-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II)","","- C26 H28 Co N6 O4 S2 -","- C26 H28 Co N6 O4 S2 -","- C26 H28 Co N6 O4 S2 -","1","0.5","HB8092","Näther, Christian; Jess, Inke","Synthesis and crystal structure of diiso-thio-cyanato-tetra-kis-(4-methyl-pyridine N-oxide)cobalt(II) and diiso-thio-cyanato-tris-(4-methyl-pyridine N-oxide)cobalt(II) showing two different metal coordination polyhedra.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","174","179","10.1107/S2056989024000471","","x-ray","1.54184","CuKα","","0.0295","0.0293","","","0.081","0.0811","","","","","","1.114","","","","has coordinates","290313","2024-03-05","20:26:22",""
"2312402","5.6599","0.0011","7.9243","0.001","34.353","0.005","90","","90","","90","","1540.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-(+)-1-(4-Bromophenyl)-N-[(4-methoxyphenyl)methylidene]ethylamine","","- C16 H16 Br N O -","- C16 H16 Br N O -","- C64 H64 Br4 N4 O4 -","4","1","EE2003","Anzaldo, Bertin; Moreno Morales, Gloria E.; Villamizar C, Claudia P; Mendoza, Ángel; Hernández Téllez, Guadalupe","(S)-(+)-1-(4-Bromo-phen-yl)-N-[(4-methoxyphen-yl)methyl-idene]ethyl-amine and bis-{(S)-(+)-1-(4-bromo-phen-yl)-N-[(4-methoxyphen-yl)methyl-idene]ethyl-amine-κN}di-chlorido-palladium(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","213","217","10.1107/S2056989024000690","","","0.71073","MoKα","","0.1136","0.0508","","","0.0945","0.116","","","","","","1.046","","","","has coordinates","290314","2024-03-05","20:26:41",""
"2312403","9.0493","0.0004","25.1365","0.0008","14.1725","0.0007","90","","90.185","0.004","90","","3223.8","0.2","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Dichloridobis{(S)-(+)-1-(4-bromophenyl)-N-[(4-methoxyphenyl)methylidene]ethylamine-κN}palladium(II)","","- C32 H32 Br2 Cl2 N2 O2 Pd -","- C32 H32 Br2 Cl2 N2 O2 Pd -","- C128 H128 Br8 Cl8 N8 O8 Pd4 -","4","2","EE2003","Anzaldo, Bertin; Moreno Morales, Gloria E.; Villamizar C, Claudia P; Mendoza, Ángel; Hernández Téllez, Guadalupe","(S)-(+)-1-(4-Bromo-phen-yl)-N-[(4-methoxyphen-yl)methyl-idene]ethyl-amine and bis-{(S)-(+)-1-(4-bromo-phen-yl)-N-[(4-methoxyphen-yl)methyl-idene]ethyl-amine-κN}di-chlorido-palladium(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","213","217","10.1107/S2056989024000690","","","0.71073","MoKα","","0.0753","0.0466","","","0.0937","0.1074","","","","","","1.019","","","","has coordinates,has disorder","290314","2024-03-05","20:26:41",""
"2312404","12.4307","0.0013","6.691","0.0006","10.7087","0.001","90","","107.506","0.003","90","","849.43","0.14","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Dicadmium orthophosphate hydroxide","","- Cd2 H O5 P -","- Cd2 O5 P -","- Cd16 O40 P8 -","8","1","TX2081","Eder, Felix; Weil, Matthias","Cadmium phosphates Cd2(PO4)OH and Cd5(PO4)2(OH)4 crystallizing in mineral structures.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","207","212","10.1107/S2056989024000793","","","0.71073","MoKα","","0.0847","0.0465","","","0.0852","0.0996","","","","","","1.033","","","","has coordinates","290315","2024-03-05","20:27:10",""
"2312405","5.8901","0.0004","9.3455","0.0006","18.7423","0.0013","90","","90","","90","","1031.69","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pentacadmium bis(orthophosphate) tetrakis(hydroxide)","","- Cd5 H4 O12 P2 -","- Cd5 O12 P2 -","- Cd20 O48 P8 -","4","1","TX2081","Eder, Felix; Weil, Matthias","Cadmium phosphates Cd2(PO4)OH and Cd5(PO4)2(OH)4 crystallizing in mineral structures.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","207","212","10.1107/S2056989024000793","","","0.71073","MoKα","","0.0575","0.0385","","","0.0546","0.0588","","","","","","0.966","","","","has coordinates","290315","2024-03-05","20:27:10",""
"2312406","8.8691","0.0008","9.4161","0.0009","13.0347","0.0011","75.502","0.008","85.013","0.008","62.478","0.01","934.1","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(RS)-1-[2-(2,4-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole","","- C18 H14 Cl4 N2 O -","- C18 H14 Cl4 N2 O -","- C36 H28 Cl8 N4 O2 -","2","1","JY2040","Kaspiaruk, Hanna; Chęcińska, Lilianna","A triclinic polymorph of miconazole.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","196","200","10.1107/S2056989024000276","","x-ray","1.54184","CuKα","","0.1099","0.0853","","","0.2049","0.2236","","","","","","1.102","","","","has coordinates,has disorder","290316","2024-03-05","20:27:33",""
"2312407","12.9839","0.0001","12.9839","0.0001","12.9839","0.0001","90","","90","","90","","2188.85","0.03","297","2","297","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","Lithium aluminoboracite","Lithium aluminoboracite","","- Al3 B4 Cl Li4 O12 -","- Al3 B4 Cl Li3.997 O12 -","- Al24 B32 Cl8 Li31.976 O96 -","8","0.0833333","WM5704","Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi","Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","169","173","10.1107/S2056989024000501","","","1.54178","CuKα","","0.0307","0.0307","","","0.0746","0.0747","","","","","","1.155","","","","has coordinates","290317","2024-03-05","20:28:11",""
"2312408","12.9839","0.0001","12.9839","0.0001","12.9839","0.0001","90","","90","","90","","2188.85","0.03","297","2","297","2","","","","","","","","5","F 2 3","F 2 2 3","196","Lithium aluminoboracite","Lithium aluminoboracite","","- Al3 B4 Cl Li4 O12 -","- Al3 B4 Cl Li4 O12 -","- Al24 B32 Cl8 Li32 O96 -","8","0.166667","WM5704","Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi","Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","169","173","10.1107/S2056989024000501","","","1.54178","CuKα","","0.036","0.0322","","","0.0775","0.0814","","","","","","1.171","","","","has coordinates","290317","2024-03-05","20:28:12",""
"2312409","13.5904","0.0001","13.5904","0.0001","13.5904","0.0001","90","","90","","90","","2510.13","0.03","294","2","294","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","Sodium aluminoboracite","Sodium aluminoboracite","","- Al3 B4 Cl0.92 Na3.92 O12 -","- Al3 B4 Cl0.92 Na3.918 O12 -","- Al24 B32 Cl7.36 Na31.344 O96 -","8","0.0833333","WM5704","Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi","Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","169","173","10.1107/S2056989024000501","","","1.54178","CuKα","","0.0222","0.022","","","0.055","0.0551","","","","","","1.197","","","","has coordinates","290317","2024-03-05","20:28:12",""
"2312410","13.5904","0.0001","13.5904","0.0001","13.5904","0.0001","90","","90","","90","","2510.13","0.03","294","2","294","2","","","","","","","","5","F 2 3","F 2 2 3","196","Sodium aluminoboracite","Sodium aluminoboracite","","- Al3 B4 Cl0.92 Na3.92 O12 -","- Al3 B4 Cl0.921 Na3.922 O12 -","- Al24 B32 Cl7.368 Na31.376 O96 -","8","0.166667","WM5704","Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi","Crystal structures of the alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","169","173","10.1107/S2056989024000501","","","1.54178","CuKα","","0.0295","0.0244","","","0.0621","0.0658","","","","","","1.119","","","","has coordinates","290317","2024-03-05","20:28:12",""
"2312411","15.47572","0.00016","4.16896","0.00004","23.2257","0.0002","90","","100.196","0.0009","90","","1474.8","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-{2,2-dichloro-1-[(E)-phenyldiazenyl]ethenyl}benzoate","","- C16 H12 Cl2 N2 O2 -","- C16 H12 Cl2 N2 O2 -","- C64 H48 Cl8 N8 O8 -","4","1","WM5708","Shikhaliyev, Namiq Q.; İbrahimova, Shafiga A; Atakishiyeva, Gulnar T.; Ahmedova, Nigar E.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[(E)-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[(E)-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[(E)-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","184","190","10.1107/S2056989024000732","","","1.54184","CuKα","","0.0424","0.0383","","","0.0999","0.1034","","","","","","1.036","","","","has coordinates","290318","2024-03-05","20:28:41",""
"2312412","15.6177","0.0002","8.47502","0.00011","13.10365","0.00017","90","","109.656","0.0015","90","","1633.34","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-{2,2-dichloro-1-[(E)-(4-methylphenyl)diazenyl]ethenyl}benzoate","","- C17 H14 Cl2 N2 O2 -","- C17 H14 Cl2 N2 O2 -","- C68 H56 Cl8 N8 O8 -","4","1","WM5708","Shikhaliyev, Namiq Q.; İbrahimova, Shafiga A; Atakishiyeva, Gulnar T.; Ahmedova, Nigar E.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[(E)-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[(E)-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[(E)-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","184","190","10.1107/S2056989024000732","","","1.54184","CuKα","","0.04","0.0376","","","0.1057","0.1082","","","","","","1.129","","","","has coordinates","290318","2024-03-05","20:28:42",""
"2312413","8.22057","0.0001","8.53211","0.00009","13.08729","0.00014","103.948","0.0009","101.905","0.001","98.06","0.0009","854.086","0.018","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-{2,2-dichloro-1-[(E)-(3,4-dimethylphenyl)diazenyl]ethenyl}benzoate","","- C18 H16 Cl2 N2 O2 -","- C18 H16 Cl2 N2 O2 -","- C36 H32 Cl4 N4 O4 -","2","1","WM5708","Shikhaliyev, Namiq Q.; İbrahimova, Shafiga A; Atakishiyeva, Gulnar T.; Ahmedova, Nigar E.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[(E)-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[(E)-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[(E)-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","184","190","10.1107/S2056989024000732","","","1.54184","CuKα","","0.0371","0.0348","","","0.0951","0.0974","","","","","","1.084","","","","has coordinates","290318","2024-03-05","20:28:43",""
"2312414","7.9058","0.0004","8.2979","0.0005","14.6473","0.0009","90","","101.565","0.002","90","","941.38","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sodium bis(malonato)borate monohydrate","Poly[aqua[μ~4~-bis(malonato)borato]sodium]","","- C6 H6 B Na O9 -","- C6 H6 B Na O9 -","- C24 H24 B4 Na4 O36 -","4","1","HB8086","Selvi, Ramalingam; Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Sundararajan, Raju Sarangapani","Synthesis, crystal structure and Hirshfeld surface analysis of sodium bis-(malonato)borate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","180","183","10.1107/S2056989024000537","","","0.71073","MoKα","","0.0443","0.0382","","","0.0996","0.1047","","","","","","1.082","","","","has coordinates","290319","2024-03-05","20:29:23",""
"2312415","5.7855","0.0016","7.3347","0.0019","12.424","0.003","106.519","0.008","91.912","0.009","92.326","0.009","504.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(2E)-1-Phenyl-3-(1H-pyrrol-2-yl)propen-1-one","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","TX2080","Safarova, Ayten S.; Khalilov, Ali N.; Akkurt, Mehmet; Maharramov, Abel M.; Bhattarai, Ajaya; Naghiyev, Farid N.; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of (2E)-1-phenyl-3-(1H-pyrrol-2-yl)propen-1-one.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","191","195","10.1107/S2056989024000495","","","0.71073","MoKα","","0.0732","0.0493","","","0.0995","0.108","","","","","","1.064","","","","has coordinates","290320","2024-03-05","20:29:41",""