# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T11:43:49+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 volume = 79 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-2<i>H</i>-3,8-methanopyrano[3,2-<i>c</i>]pyridine-3,4a-dicarbonitrile <i>N</i>,<i>N</i>-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 <i>N</i>,<i>N</i>-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-2<i>H</i>-3,8-methano-pyrano[3,2-<i>c</i>]pyridine-3,4a-dicarbo-nitrile <i>N</i>,<i>N</i>-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-<i>tert</i>-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-<i>tert</i>-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-1<i>H</i>-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-1<i>H</i>-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","","<i>N</i>-{<i>N</i>-[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 <i>N</i>-{<i>N</i>-[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-κ<i>O</i>)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-κ<i>O</i>)-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","","(12<i>E</i>)-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 (12<i>E</i>)-12-(4-benzyl-idene)-7,7,16-trimethyl-3-(4-methyl-phen-yl)-1-oxa-16-aza-tetra-cyclo-[11.2.1.0<sup>2,11</sup>.0<sup>4,9</sup>]hexa-deca-2(11),4(9)-dien-5-one and (12<i>E</i>)-12-(4-bromo-benzyl-idene)-73-(4-bromo-phen-yl)-,7,16-trimethyl-10-oxa-16-aza-tetra-cyclo-[11.2.1.0<sup>2,11</sup>.0<sup>4,9</sup>]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","","(12<i>E</i>)-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 (12<i>E</i>)-12-(4-benzyl-idene)-7,7,16-trimethyl-3-(4-methyl-phen-yl)-1-oxa-16-aza-tetra-cyclo-[11.2.1.0<sup>2,11</sup>.0<sup>4,9</sup>]hexa-deca-2(11),4(9)-dien-5-one and (12<i>E</i>)-12-(4-bromo-benzyl-idene)-73-(4-bromo-phen-yl)-,7,16-trimethyl-10-oxa-16-aza-tetra-cyclo-[11.2.1.0<sup>2,11</sup>.0<sup>4,9</sup>]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-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)–(aqua-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']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-κ<i>O</i>)[<i>N</i>-(2-oxido-benzyl-idene)valinato-κ<sup>3</sup> <i>O</i>,<i>N</i>,<i>O</i>']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-<i>a</i>]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-<i>a</i>]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","","(<i>S</i>)-2-Butyl <i>N</i>-(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 (<i>S</i>)-butan-2-yl <i>N</i>-(4-<i>x</i>-phen-yl)thio-carbamates, <i>x</i> = NO<sub>2</sub>, OCH<sub>3</sub>, 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","","(<i>S</i>)-2-Butyl <i>N</i>-(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 (<i>S</i>)-butan-2-yl <i>N</i>-(4-<i>x</i>-phen-yl)thio-carbamates, <i>x</i> = NO<sub>2</sub>, OCH<sub>3</sub>, 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","","(<i>S</i>)-2-Butyl <i>N</i>-(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 (<i>S</i>)-butan-2-yl <i>N</i>-(4-<i>x</i>-phen-yl)thio-carbamates, <i>x</i> = NO<sub>2</sub>, OCH<sub>3</sub>, 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","","(<i>S</i>)-2-Butyl <i>N</i>-(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 (<i>S</i>)-butan-2-yl <i>N</i>-(4-<i>x</i>-phen-yl)thio-carbamates, <i>x</i> = NO<sub>2</sub>, OCH<sub>3</sub>, 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-1<i>H</i>-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-1<i>H</i>-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)-1<i>H</i>-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)-<i>N</i>'-(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)-<i>N</i>'-(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","","<i>N</i>-[3-(Benzo[<i>d</i>]thiazol-2-yl)-6-bromo-2<i>H</i>-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 <i>N</i>-[3-(benzo[<i>d</i>]thia-zol-2-yl)-6-bromo-2<i>H</i>-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-<i>tert</i>-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-<i>tert</i>-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","","(<i>S</i>)-<i>N</i>-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-κ<i>N</i>)tetrakis(pyridine-κ<i>N</i>)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-κ<i>N</i>)tetra-kis-(pyridine-κ<i>N</i>)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","","(5a<i>S</i>,8a<i>R</i>)-3,5a-Dimethyl-8-methylidene-2-oxododecahydrooxireno[2',3':6,7]naphtho[1,2-<i>b</i>]furan-6-yl (<i>Z</i>)-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 (5a<i>S</i>,8a<i>R</i>)-3,5a-dimethyl-8-methyl-idene-2-oxododeca-hydro-oxireno[2',3':6,7]naphtho-[1,2-<i>b</i>]furan-6-yl (<i>Z</i>)-2-methyl-but-2-enoate extracted from <i>Ferula persica</i>.","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-<i>tert</i>-butoxy-4-oxobut-2-en-2-olato)bis[(4-<i>tert</i>-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-<i>tert</i>-but-oxy-4-oxobut-2-en-2-olato)bis-[(4-<i>tert</i>-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[<i>d</i>]thiazol-2-yl)-6-methyl-2<i>H</i>-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[<i>d</i>]thia-zol-2-yl)-6-methyl-2<i>H</i>-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","","<i>N</i>-[2-(5-Methylfuran-2-yl)phenyl]-3-nitro-<i>N</i>-[(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 <i>N</i>-[2-(5-methyl-furan-2-yl)phen-yl]-3-nitro-<i>N</i>-[(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","","<i>catena</i>-Poly[[[aqua{2-[(<i>E</i>)-(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 <i>catena</i>-poly[[[aqua-{2-[(<i>E</i>)-(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","","<i>trans</i>-Diiodidobis[(methylsulfanyl)benzene-κ<i>S</i>]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 <i>trans</i>-di-iodido-bis-[(methyl-sulfan-yl)benzene-κ<i>S</i>]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","<i>N</i>-(4-Fluorophenyl)-<i>N</i>-isopropyl-2-(methylsulfonyl)acetamide","<i>N</i>-(4-Fluorophenyl)-2-(methylsulfonyl)-<i>N</i>-(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 <i>N</i>-(4-fluoro-phen-yl)-<i>N</i>-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-1<i>H</i>-1,3-benzodiazol-2(3<i>H</i>)-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-1<i>H</i>-1,3-benzo-diazol-2(3<i>H</i>)-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-1<i>H</i>-1,3-benzo-diazol-2(3<i>H</i>)-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","","(<i>E</i>)-4-{[4-(Diethylamino)benzylidene]amino}-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-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: (<i>E</i>)-4-{[4-(di-ethyl-amino)-benzyl-idene]amino}-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one and (<i>E</i>)-4-[(4-fluoro-benzyl-idene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-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","","(<i>E</i>)-4-[(4-Fluorobenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-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: (<i>E</i>)-4-{[4-(di-ethyl-amino)-benzyl-idene]amino}-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one and (<i>E</i>)-4-[(4-fluoro-benzyl-idene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-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-<i>j</i>]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-<i>j</i>]phenanthridine and (<i>E</i>)-<i>N</i>-{2-[2-(benzo[<i>b</i>]thiophen-2-yl)ethenyl]phen-yl}-<i>N</i>-(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","","(<i>E</i>)-<i>N</i>-{2-[2-(Benzo[<i>b</i>]thiophen-2-yl)ethenyl]phenyl}-\ <i>N</i>-(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-<i>j</i>]phenanthridine and (<i>E</i>)-<i>N</i>-{2-[2-(benzo[<i>b</i>]thiophen-2-yl)ethenyl]phen-yl}-<i>N</i>-(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]-<i>N</i>'-(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]-<i>N</i>'-(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 <i>N</i>-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 <i>N</i>-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","","(<i>E</i>)-Benzo[<i>d</i>][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 (<i>E</i>)-benzo[<i>d</i>][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(3<i>H</i>)-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(3<i>H</i>)-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-(1<i>H</i>-Benzimidazol-2-yl)propyl]-1<i>H</i>-benzimidazol-3-ium 3,4,5-trihydroxybenzoate–1,3-bis(1<i>H</i>-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-(1<i>H</i>-Benzimidazol-2-yl)prop-yl]-1<i>H</i>-benzimidazol-3-ium 3,4,5-tri-hydroxy-benzoate-1,3-bis-(1<i>H</i>-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)-1<i>H</i>-[1,2,4]triazolo[1,5-<i>a</i>]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)-1<i>H</i>-[1,2,4]triazolo[1,5-<i>a</i>]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^<i>N</i>,<i>N</i>']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-κ<sup>2</sup> <i>N</i>,<i>N</i>']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","","(<i>E</i>)-2-[(Benzo[<i>d</i>]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 (<i>E</i>)-2-[(benzo[<i>d</i>]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","<i>N</i>,<i>N</i>-Diethyl-2,2-diphenyl-2<i>H</i>-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 (<i>E</i>)-2-[(benzo[<i>d</i>]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 <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>)bis[dibromido(2-methylpyridine <i>N</i>-oxide-κ<i>O</i>)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 <i>N</i>-oxide-κ<sup>2</sup><i>O</i>:<i>O</i>)bis-[di-bromido-(2-methyl-pyridine <i>N</i>-oxide-κ<i>O</i>)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","","<i>trans</i>-Bis{(2<i>E</i>)-<i>N</i>-phenyl-2-[(2<i>E</i>)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamidato-κ^2^<i>N</i>^1^,<i>S</i>}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 <i>trans</i>-bis-{(2<i>E</i>)-<i>N</i>-phenyl-2-[(2<i>E</i>)-3-phenyl-2-propen-1-yl-idene]hydrazinecarbo-thio-amidato-κ<sup>2</sup><i>N</i><sup>1</sup>,<i>S</i>}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[<i>N</i>-(5-methyl-1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)carbamato-κ<i>O</i>]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-[<i>N</i>-(5-methyl-1<i>H</i>-pyrazol-3-yl-κ<i>N</i><sup>2</sup>)carbamato-κ<i>O</i>]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 <i>in vitro</i> 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 Cs<sub>2</sub>GdNb<sub>6</sub>Cl<sub>15</sub>O<sub>3</sub> in the structural evolution of niobium oxychlorides with octa-hedral Nb<sub>6</sub>-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-(<i>tert</i>-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-(<i>tert</i>-butyl-dimethyl-sil-yl)-3,6-di-hydro-1λ<sup>4</sup>,2λ<sup>4</sup>-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-κ<i>N</i>)gold(I) bis(pyrrolidine-κ<i>N</i>)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-κ<i>N</i>)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-κ<i>N</i>)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","2<i>H</i>-Benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-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 2<i>H</i>-benzo[<i>b</i>][1,4]thia-zin-3(4<i>H</i>)-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-[8.8.4.1<sup>3,17</sup>.1<sup>8,12</sup>]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-<i>tert</i>-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-<i>tert</i>-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^<i>N</i>:<i>N</i>'-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-κ<sup>2</sup><i>N</i>:<i>N</i>'-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–<i>n</i>-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[<i>h</i>]quinolinato-κ^2^<i>N</i>^1^,<i>N</i>^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[<i>h</i>]quinolinato-κ<sup>2</sup><i>N</i><sup>1</sup>,<i>N</i><sup>10</sup>)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(<i>o</i>-phenylenediamine-κ^2^<i>N</i>,<i>N</i>')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-(<i>o</i>-phenyl-enedi-amine-κ<sup>2</sup><i>N</i>,<i>N</i>')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)-1<i>H</i>-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)-1<i>H</i>-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, YCrB<sub>4</sub>, 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-1<i>H</i>-pyrazole-κ<i>N</i>^2^)bis(5-amino-1<i>H</i>-pyrazole-κ<i>N</i>^2^)bis(nitrato-κ<i>O</i>)copper(II)","bis(3-aminopyrazole-κ<i>N</i>^1^)bis(3-aminoyrazole-\ κ<i>N</i>^2^)bis(nitrato-κ<i>O</i>)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-κ<i>N</i><sup>1</sup>)bis-(3-aminopyrazole-κ<i>N</i><sup>2</sup>)bis-(nitrato-κ<i>O</i>)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-1<i>H</i>-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-1<i>H</i>-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",""
"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: Rb<sub>2</sub>Co(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>·4H<sub>2</sub>O, Rb<sub>2</sub>CoCl<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>) and K<sub>2</sub>Li<sub>2</sub>Cu(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>·2H<sub>2</sub>O.","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","<i>catena</i>-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: Rb<sub>2</sub>Co(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>·4H<sub>2</sub>O, Rb<sub>2</sub>CoCl<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>) and K<sub>2</sub>Li<sub>2</sub>Cu(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>·2H<sub>2</sub>O.","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: Rb<sub>2</sub>Co(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>·4H<sub>2</sub>O, Rb<sub>2</sub>CoCl<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>) and K<sub>2</sub>Li<sub>2</sub>Cu(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>·2H<sub>2</sub>O.","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","","(5<i>E</i>,5'<i>E</i>,6<i>Z</i>,6'<i>Z</i>)-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 (5<i>E</i>,5'<i>E</i>,6<i>Z</i>,6'<i>Z</i>)-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","","<i>N</i>,<i>N</i>'-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 <i>N</i>,<i>N</i>'-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","","<i>N</i>,<i>N</i>'-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 <i>N</i>,<i>N</i>'-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-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]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-(1<i>H</i>-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-(1<i>H</i>-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","(7<i>R</i>,9<i>R</i>)-<i>N</i>-[(4-Ethylphenyl)sulfonyl]cytisine","(1<i>R</i>,5<i>R</i>)-3-[(4-Ethylphenyl)sulfonyl]-1,2,3,4,5,6-hexahydro-8<i>H</i>-1,5-methanopyrido[1,2-<i>a</i>][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 <i>N</i>-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","(7<i>R</i>,9<i>R</i>)-<i>N</i>-[(4-chlorophenyl)sulfonyl]cytisine","(1<i>R</i>,5<i>R</i>)-3-[(4-chlorophenyl)sulfonyl]-1,2,3,4,5,6-hexahydro-8<i>H</i>-1,5-methanopyrido[1,2-<i>a</i>][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 <i>N</i>-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","(7<i>R</i>,9<i>R</i>)-<i>N</i>-[(3-nitrophenyl)sulfonyl]cytisine","(1<i>R</i>,5<i>R</i>)-3-((3-nitrophenyl)sulfonyl)-1,2,3,4,5,6-hexahydro-8<i>H</i>-1,5-methanopyrido[1,2-<i>a</i>][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 <i>N</i>-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-1<i>H</i>-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-<i>N</i>-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","<i>N</i>-Isopropyl-4-benzyloxy-3-indoleglyoxylamide","2-[4-(Benzyloxy)-1<i>H</i>-indol-3-yl]-2-oxo-<i>N</i>-(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-<i>N</i>-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-<i>N</i>-isopropyltryptammonium chloride","{2-[4-(Benzyloxy)-1<i>H</i>-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-<i>N</i>-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-<i>N</i>-isopropyltryptamine","3-[2-(Propan-2-ylamino)ethyl]-1<i>H</i>-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-<i>N</i>-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","","<i>tert</i>-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 <i>tert</i>-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-5<i>H</i>-cyclo-hepta-[<i>b</i>]pyridine-3-carbo-nitrile and 2-meth-oxy-4-(thio-phen-2-yl)-5,6,7,8,9,10-hexa-hydrocyclo-octa[<i>b</i>]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-5<i>H</i>-cyclohepta[<i>b</i>]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-5<i>H</i>-cyclo-hepta-[<i>b</i>]pyridine-3-carbo-nitrile and 2-meth-oxy-4-(thio-phen-2-yl)-5,6,7,8,9,10-hexa-hydrocyclo-octa[<i>b</i>]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[<i>b</i>]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-5<i>H</i>-cyclo-hepta-[<i>b</i>]pyridine-3-carbo-nitrile and 2-meth-oxy-4-(thio-phen-2-yl)-5,6,7,8,9,10-hexa-hydrocyclo-octa[<i>b</i>]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","","<i>N</i>-(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 <i>N</i>-(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",""
"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({(<i>E</i>)-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-({(<i>E</i>)-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-({(<i>E</i>)-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-4<i>H</i>-pyrido[3,2-<i>e</i>][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-4<i>H</i>-1,3-benzo-thia-zin-4-one and 2,3-diphenyl-2,3-di-hydro-4<i>H</i>-pyrido[3,2-<i>e</i>][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-4<i>H</i>-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-4<i>H</i>-1,3-benzo-thia-zin-4-one and 2,3-diphenyl-2,3-di-hydro-4<i>H</i>-pyrido[3,2-<i>e</i>][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)-<i>N</i>'-[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)-<i>N</i>'-[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)-<i>N</i>'-(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","","<i>S</i>-(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 <i>S</i>-(pyridin-2-yl) 4-nitro-benzo-thio-ate, <i>S</i>-(pyridin-2-yl) 4-methyl-benzo-thio-ate and <i>S</i>-(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","","<i>S</i>-(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 <i>S</i>-(pyridin-2-yl) 4-nitro-benzo-thio-ate, <i>S</i>-(pyridin-2-yl) 4-methyl-benzo-thio-ate and <i>S</i>-(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","","<i>S</i>-(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 <i>S</i>-(pyridin-2-yl) 4-nitro-benzo-thio-ate, <i>S</i>-(pyridin-2-yl) 4-methyl-benzo-thio-ate and <i>S</i>-(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-<i>tert</i>-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-<i>tert</i>-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(1<i>H</i>)-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(<i>N</i>,<i>N</i>-diethyl-4-methyl-4-piperazine-1-carboxamide) tetrakis(isothiocyanto-κ<i>N</i>)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(<i>N</i>,<i>N</i>-diethyl-4-methyl-4-piperazine-1-carboxamide) tetra-kis-(iso-thio-cyanato-κ<i>N</i>)-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-<i>N</i>-(4-bromobenzylidene)aniline","(<i>E</i>)-<i>N</i>,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-<i>N</i>-(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^<i>O</i>:<i>O</i>')[bis(tetrahydrofuran-κ<i>O</i>)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 <i>N</i>'-[(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]-<i>N</i>'-[(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 <i>N</i>'-[(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-<i>d</i>:1',2'-<i>f</i>][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-<i>d</i>:1',2'-<i>f</i>][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–<i>rtct</i>-1,2,3,4-tetrakis(pyridin-4-yl)cyclobutane","1,3-Diiodo-2,4,5,6-tetrachlorobenzene–<i>rtct</i>-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 <i>rtct</i>-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","","<i>catena</i>-Poly[cadmium(II)-di-μ-bromido-μ-pyridazine-κ^2^<i>N</i>^1^:<i>N</i>^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 <i>catena</i>-poly[cadmium(II)-di-μ-bromido-μ-pyridazine-κ<sup>2</sup> <i>N</i> <sup>1</sup>:<i>N</i> <sup>2</sup>] and <i>catena</i>-poly[cadmium(II)-di-μ-iodido-μ-pyridazine-κ<sup>2</sup> <i>N</i> <sup>1</sup>:<i>N</i> <sup>2</sup>].","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","","<i>catena</i>-Poly[cadmium(II)-di-μ-iodido-μ-pyridazine-κ^2^<i>N</i>^1^:<i>N</i>^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 <i>catena</i>-poly[cadmium(II)-di-μ-bromido-μ-pyridazine-κ<sup>2</sup> <i>N</i> <sup>1</sup>:<i>N</i> <sup>2</sup>] and <i>catena</i>-poly[cadmium(II)-di-μ-iodido-μ-pyridazine-κ<sup>2</sup> <i>N</i> <sup>1</sup>:<i>N</i> <sup>2</sup>].","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-κ<i>N</i>)ethyl]imino-κ<i>N</i>}methyl)phenolato-κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')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-κ<i>N</i>)ethyl]imino-κ<i>N</i>}methyl)phenolato-κ<i>O</i>](1,10-phen-anthroline-κ<sup>2</sup> <i>N</i>,<i>N</i>')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 Na<sub>3</sub>Te<sub>2</sub>(FeO<sub>4</sub>)<sub>3</sub>.","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^<i>RS</i>,2^3^<i>SR</i>,2^5^<i>RS</i>,2^6^<i>SR</i>)-\ 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 (2<sup>2</sup> <i>RS</i>,2<sup>3</sup> <i>SR</i>,2<sup>5</sup> <i>RS</i>,2<sup>6</sup> <i>SR</i>)-2<sup>3</sup>,2<sup>5</sup>,5-trimethyl-2<sup>1</sup>-(2,2,2-tri-fluoro-acet-yl)-5-aza-2(2,6)-piperidina-1,3(2,5)-di-furana-cyclo-hexa-phan-2<sup>4</sup>-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-κ<i>O</i>)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 [<i>t</i>BuMgCl]<sub>2</sub>[MgCl<sub>2</sub>(Et<sub>2</sub>O)<sub>2</sub>]<sub>2</sub>.","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","","<i>rac</i>-1-(4-<i>tert</i>-Butylphenyl)-5-ethyl-4-ferrocenyl-\ 5-hydroxy-1<i>H</i>-pyrrol-2(5<i>H</i>)-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","<i>rac</i>-1-(4-<i>tert</i>-Butyl-phen-yl)-5-ethyl-4-ferrocenyl-5-hy-droxy-1<i>H</i>-pyrrol-2(5<i>H</i>)-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",""
"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^<i>N</i>,<i>N</i>')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-μ<sub>2</sub>-iodido-bis-[(2,2'-bi-quinoline-κ<sup>2</sup> <i>N</i>,<i>N</i>')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-κ<i>N</i>)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-κ<i>N</i>)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 (<i>R</i>)-3-{(1<i>R</i>,4<i>S</i>)-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 (<i>E</i>)-3-{(1<i>R</i>,4<i>S</i>)-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-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)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-κ<i>N</i>)bis-(seleno-cyanato-κ<i>N</i>)zinc(II) and <i>catena</i>-poly[[bis-(4-methyl-pyridine-κ<i>N</i>)cadmium(II)]-di-μ-seleno-cyanato-κ<sup>2</sup> <i>N</i>:<i>Se</i>;κ<sup>2</sup> <i>Se</i>:<i>N</i>].","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","","<i>catena</i>-Poly[[bis(4-methylpyridine-κ<i>N</i>)cadmium(II)]-di-μ-selenocyanato-κ^2^<i>N</i>:<i>Se</i>;κ^2^<i>Se</i>:<i>N</i>]","","- 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-κ<i>N</i>)bis-(seleno-cyanato-κ<i>N</i>)zinc(II) and <i>catena</i>-poly[[bis-(4-methyl-pyridine-κ<i>N</i>)cadmium(II)]-di-μ-seleno-cyanato-κ<sup>2</sup> <i>N</i>:<i>Se</i>;κ<sup>2</sup> <i>Se</i>:<i>N</i>].","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","","<i>cis</i>-Bis[bis(pyrimidin-2-yl)amine-κ<i>N</i>]bis(dicyanamido-κ<i>N</i>^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 <i>cis</i>-bis-[bis-(pyrimidin-2-yl)amine-κ<i>N</i>]bis(dicyanamido-κ<i>N</i><sup>1</sup>)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","","<i>cyclo</i>-Tetrabromido-1κ^2^<i>Br</i>,3κ^2^<i>Br</i>-tetrakis(μ~2~-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ^3^<i>N</i>,<i>S</i>:<i>S</i>)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 <i>cyclo</i>-tetra-bromido-1κ<sup>2</sup><i>Br</i>,3κ<sup>2</sup><i>Br</i>-tetra-kis-(μ<sub>2</sub>-2-{[(pyridin-2-yl)meth-yl]amino}-ethane-1-thiol-ato-κ<sup>3</sup><i>N</i>,<i>S</i>:<i>S</i>)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(<i>tert</i>-butyl isocyanide-κ<i>C</i>)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ^4^<i>N</i>]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-(<i>tert</i>-butyl isocyanide-κ<i>C</i>)[5,10,15,20-tetra-kis-(4-chloro-phen-yl)porphyrinato-κ<sup>4</sup><i>N</i>]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","","<i>trans</i>-Diaquabis(1-phenylpropane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')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 <i>trans</i>-di-aqua-bis-(1-phenyl-propane-1,2-di-amine-κ<sup>2</sup><i>N</i>,<i>N</i>')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, InPb<sub>2</sub>Cl<sub>5</sub>.","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",""