# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T02:27:42+02:00
# Query:
# SELECT data.*
# FROM
# data JOIN jaltnames
# ON altname = journal
# WHERE
# (status is null or status != 'retracted') and
# (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta crystallographica. Section E, Crystallographic communications') AND volume = 73 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"2311347","8.0245","0.0004","13.2482","0.0009","30.454","0.0019","90","","90","","90","","3237.6","0.3","213","2","213","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis{N'-[(E)-4-hydroxybenzylidene]pyridine-4-carbohydrazide-κN^1^}diiodidocadmium methanol disolvate","","- C28 H30 Cd I2 N6 O6 -","- C28 H30 Cd I2 N6 O6 -","- C112 H120 Cd4 I8 N24 O24 -","4","0.5","SJ5516","Afkhami, Farhad Akbari; Krautscheid, Harald; Atioğlu, Zeliha; Akkurt, Mehmet","Crystal structure of bis-{N'-[(E)-4-hy-droxy-benzyl-idene]pyridine-4-carbohydrazide-κN1}di-iodidocadmium methanol disolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 1","28","30","10.1107/S2056989016019575","","","0.71073","MoKα","","0.0481","0.0398","","","0.0925","0.0939","","","","","","0.881","","","","has coordinates","245814","2020-10-21","18:00:00",""
"2311348","5.97796","0.00017","15.096","0.0004","5.32067","0.00019","90","","93.9341","0.0013","90","","479.02","0.03","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","dirubidium hydrogen citrate","Dirubidium hydrogen citrate","","- C6 H6 O7 Rb2 -","- C6 H6 O7 Rb2 -","- C12 H12 O14 Rb4 -","2","0.5","VN2120","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 1","92","95","10.1107/S2056989016020168","powder diffraction","","1.54063","Kα~1~","","","","","","","","","","1.82","","","","","","","has coordinates","245815","2020-10-21","18:00:00",""
"2311349","5.978","","15.0961","","5.3207","","90","","93.9354","","90","","479.032","","300","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H6 O7 Rb2 -","- C6 H6 O7 Rb2 -","- C12 H12 O14 Rb4 -","2","0.5","","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 1","92","95","10.1107/S2056989016020168","","","","","","","","","","","","","","","","","","","","","has coordinates","245815","2020-10-21","18:00:00",""
"2311350","19.509","0.002","8.2306","0.0013","11.1","0.002","90","","90","","90","","1782.3","0.5","303","2","303","1","","","","","","","","4","P n a 21","P 2c -2n","33","","Poly[bis(μ~3~-cyanido-κ^3^C:C:N)tris(μ~2~-cyanido-κ^2^C:N)bis(N-methylethane-1,2-diamine\- κ^2^N,N')tricopper(I)copper(II)]","","- C11 H20 Cu4 N9 -","- C11 H20 Cu4 N9 -","- C44 H80 Cu16 N36 -","4","1","PK2594","Corfield, Peter W. R.; Sabatino, Alexander","Crystal structures of two mixed-valence copper cyanide complexes with N-methyl-ethylenedi-amine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","141","146","10.1107/S2056989017000111","","","0.7107","MoKα","","0.0189","0.018","","","0.0445","0.0447","","","","","","1.046","","","","has coordinates","245816","2020-10-21","18:00:00",""
"2311351","7.5621","0.0002","8.8689","0.0002","12.8098","0.0003","94.6851","0.0014","101.861","0.0012","108.378","0.0013","787.91","0.03","300","1","300","1","","","","","","","","5","P -1","-P 1","2","bis(N-methylethylenediamine)copper(II)-μ-cyano-copper(I)dicyanide","[(N-Methylethylenediamine-κ^2^N,N')copper(II)]-μ~2~-cyanido-κ^2^C:N-[bis(cyanido-κC)copper(I)] monohydrate","","- C9 H22 Cu2 N7 O -","- C9 H22 Cu2 N7 O -","- C18 H44 Cu4 N14 O2 -","2","1","","Corfield, Peter W. R.; Sabatino, Alexander","Crystal structures of two mixed-valence copper cyanide complexes with N-methyl-ethylenedi-amine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","141","146","10.1107/S2056989017000111","","","0.7107","MoKα","","0.0224","0.0205","","","0.0517","0.0529","","","","","","1.073","","","","has coordinates","245816","2020-10-21","18:00:00",""
"2311352","8.7362","0.0002","20.5351","0.00016","5.1682","0.0005","90","","90","","90","","927.17","0.09","300","","300","","","","","","","","","4","P n a 21","P 2c -2n","33","cesium dihydrogen citrate","cesium dihydrogen citrate","","- C6 H7 Cs O7 -","- C6 H7 Cs O7 -","- C24 H28 Cs4 O28 -","4","1","VN2124","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of caesium di-hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","133","136","10.1107/S2056989017000135","powder diffraction","","1.54063","Kα~1~","","","","","","","","","","3.43","","","","","","","has coordinates","245817","2020-10-21","18:00:00",""
"2311353","8.7362","","20.5351","","5.1682","","90","","90","","90","","927.169","","300","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H7 Cs O7 -","- C6 H7 Cs O7 -","- C24 H28 Cs4 O28 -","4","1","","Rammohan, Alagappa; Kaduk, James A.","Crystal structure of caesium di-hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 2","133","136","10.1107/S2056989017000135","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","245817","2020-10-21","18:00:00",""
"2311354","14.3221","0.0006","14.3742","0.0006","17.4049","0.0007","66.915","0.002","81.233","0.002","78.528","0.002","3219.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis(μ-benzoato-κ^2^O:O')bis(benzoato-κO)octabutyldi-μ~3~-oxido-tetratin(IV)","","- C60 H92 O10 Sn4 -","- C60 H92 O10 Sn4 -","- C120 H184 O20 Sn8 -","2","1","ZL2692","Reuter, Hans; Okio, Coco K. Y. A.","Bis(μ-benzoato-κ2O:O')bis-(benzoato-κO)octabutyldi-μ3-oxido-tetra-tin(IV).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","322","326","10.1107/S2056989017001505","","","0.71073","MoKα","","0.0239","0.019","","","0.0407","0.0429","","","","","","1.039","","","","has coordinates,has disorder","245818","2020-10-21","18:00:00",""
"2311355","10.0052","0.0006","10.2173","0.0005","10.6694","0.0005","87.515","0.004","68.625","0.005","73.988","0.005","974.27","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","Poly[[aqua(μ-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylato-κ^2^O^5^:O^7^)[μ-di(pyridin-4-yl)sulfane-κ^2^N:N']zinc] 0.26-hydrate]","","- C18 H14.524 N2 O7.262 S2 Zn -","- C18 H14 N2 O7.262 S2 Zn -","- C36 H28 N4 O14.524 S4 Zn2 -","2","1","WM5363","Wu, Wen-Liang; Hu, Bing","Crystal structure of poly[[aqua-(μ-2,3-di-hydro-thieno[3,4-b][1,4]dioxine-5,7-di-carboxyl-ato-κ2O5:O7)[μ-di(pyridin-4-yl)sulfane-κ2N:N']zinc] 0.26-hydrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","375","377","10.1107/S2056989017002031","","","0.71073","MoKα","","0.0342","0.0298","","","0.0672","0.0694","","","","","","1.011","","","","has coordinates,has disorder","245819","2020-10-21","18:00:00",""
"2311356","14.7579","0.0005","6.793","0.0003","17.2873","0.0005","90","","91.287","0.003","90","","1732.62","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N^6^-Benzoyladenine‒4-hydroxybenzoic acid (1/1)","","- C19 H15 N5 O4 -","- C19 H15 N5 O4 -","- C76 H60 N20 O16 -","4","1","HG5481","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supra-molecular hydrogen-bonding patterns in a 1:1 co-crystal of the N(7)-H tautomeric form of N6-benzoyl-adenine with 4-hy-droxy-benzoic acid.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","383","386","10.1107/S2056989017002171","","","1.54184","CuKα","","0.0695","0.0529","","","0.1428","0.1611","","","","","","1.021","","","","has coordinates","245820","2020-10-21","18:00:00",""
"2311357","11.5799","0.0007","7.391","0.0003","21.9848","0.0016","90","","103.033","0.007","90","","1833.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzylidene]hydrazinecarbodithioato-κ^2^N^2^,S}nickel(II):","","- C38 H42 N4 Ni S4 -","- C38 H42 N4 Ni S4 -","- C76 H84 N8 Ni2 S8 -","2","0.5","HB7658","Yusof, Enis Nadia Md; Ravoof, Thahira B. S. A.; Tahir, Mohamed I. M.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzyl-idene]hydrazine-carbodi-thio-ato-κ2N2,S}nickel(II): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","397","402","10.1107/S2056989017002419","","","0.7107","MoKα","","0.049","0.0349","","","0.0779","0.0847","","","","","","1.016","","","","has coordinates","245821","2020-10-21","18:00:00",""
"2311358","7.827","0.0016","15.407","0.003","18.086","0.004","90","","100.86","0.03","90","","2141.9","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[(oxalato-κ^2^O^1^,O^2^)(1,4,8,11-tetraazacyclotetradecane-κ^4^N)chromium(III)] dichromate octahydrate","","- C24 H64 Cr4 N8 O23 -","- C24 H64 Cr4 N8 O23 -","- C48 H128 Cr8 N16 O46 -","2","0.5","SJ5521","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of bis-[(oxalato-κ2O1,O2)(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ4N)chromium(III)] dichromate octa-hydrate from synchrotron X-ray data.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","403","406","10.1107/S2056989017002614","","","0.61","synchrotron","","0.0561","0.0478","","","0.1394","0.1448","","","","","","1.041","","","","has coordinates,has disorder","245822","2020-10-21","18:00:00",""
"2311359","6.7693","0.0004","13.8357","0.0007","7.6661","0.0004","90","","104.709","0.002","90","","694.46","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethylbis[2,4-pentanedionato(1-)-κ^2^O^2^,O^4^]tin(IV)","","- C12 H20 O4 Sn -","- C12 H20 O4 Sn -","- C24 H40 O8 Sn2 -","2","0.5","","Reuter, Hans; Reichelt, Martin","Redetermination of the crystal structure of di-methyl-bis-[2,4-penta-nedionato(1-)-κ2O2,O4]tin(IV).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","472","475","10.1107/S2056989017003206","","","0.71073","MoKα","","0.0162","0.0129","","","0.032","0.0336","","","","","","1.11","","","","has coordinates","245823","2020-10-21","18:00:00",""
"2311360","19.8257","0.0018","3.9754","0.0004","9.5881","0.0009","90","","101.645","0.005","90","","740.13","0.12","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Thallium penta(indium/chromium) octaselenide","","- Cr0.189 In4.811 Se8 Tl -","- Cr0.189 In4.811 Se8 Tl1.0002 -","- Cr0.378 In9.622 Se16 Tl2.0004 -","2","0.25","WM5368","Lefèvre, Robin; Berthebaud, David; Gascoin, Franck","Substitution of indium for chromium in TlIn5-x Cr x Se8: crystal structure of TlIn4.811(5)Cr0.189(5)Se8.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","500","502","10.1107/S2056989017003292","","","0.71073","MoKα","","0.0463","0.0302","","","0.0297","0.0308","","","","","","1.34","","","","has coordinates","245824","2020-10-21","18:00:00",""
"2311361","10.9569","0.0006","11.0012","0.0006","11.9738","0.0007","69.073","0.006","75.593","0.007","61.409","0.006","1178.37","0.14","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","Bromido-fac-tricarbonyl[5-(3,4,5-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ^2^N^2^,N^3^]rhenium(I) methanol monosolvate","","- C20 H20 Br N4 O7 Re -","- C20 H20 Br N4 O7 Re -","- C40 H40 Br2 N8 O14 Re2 -","2","1","WM5372","Kharlova, Marharyta I.; Piletska, Kseniia O.; Domasevitch, Kostiantyn V.; Shtemenko, Alexander V.","Crystal structure of bromido-fac-tricarbon-yl[5-(3,4,5-tri-meth-oxy-phen-yl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2N2,N3]rhenium(I) methanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","484","487","10.1107/S2056989017003371","","","0.71073","MoKα","","0.0271","0.0189","","","0.0333","0.0339","","","","","","0.836","","","","has coordinates","245825","2020-10-21","18:00:00",""
"2311362","7.4441","0.0015","14.625","0.003","14.074","0.003","90","","99.693","0.003","90","","1510.4","0.5","173","1","173","1","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(μ-2-methylbenzenethiolato-κ^2^S:S)bis[methyl(2-methylbenzenethiolato-κS)indium(III)]","","- C30 H34 In2 S4 -","- C30 H34 In2 S4 -","- C60 H68 In4 S8 -","2","1","LH5837","Briand, Glen G.; Decken, Andreas; Dickie, Courtney M.; MacNeil, Gregory","Synthesis and crystal structure of bis-(μ-2-methyl-benzene-thiol-ato-κ2S:S)bis-[meth-yl(2-methyl-benzene-thiol-ato-κS)indium(III)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","481","483","10.1107/S2056989017003498","","","0.71073","MoKα","","0.0504","0.0344","","","0.0673","0.0739","","","","","","1.041","","","","has coordinates","245826","2020-10-21","18:00:00",""
"2311363","9.5842","0.0015","11.0788","0.0016","12.989","0.002","90","","100.014","0.004","90","","1358.2","0.4","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[bis[μ~2~-N-ethyl-N-(pyridin-4-ylmethyl)dithiocarbamato-\ κ^3^N:S,S']cadmium(II)] 3-methylpyridine monosolvate]","","- C24 H29 Cd N5 S4 -","- C24 H29 Cd N5 S4 -","- C48 H58 Cd2 N10 S8 -","2","1","HB7664","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","A two-dimensional coordination polymer: poly[[bis-[μ2-N-ethyl-N-(pyridin-4-ylmeth-yl)di-thio-carbamato-κ3N:S,S']cadmium(II)] 3-methyl-pyridine monosolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","488","492","10.1107/S2056989017003516","","","0.71069","MoKα","","0.0374","0.0371","","","0.0905","0.0907","","","","","","1.075","","","","has coordinates","245827","2020-10-21","18:00:00",""
"2311364","9.18","0.0002","12.146","0.0002","14.9005","0.0003","88.49","0.002","89.166","0.002","83.278","0.002","1649.31","0.06","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","Bis(1,10-phenanthroline-κ^2^N,N')(1,3-thiazole-2-thiolato-κ^2^S^2^,N)nickel(II) hexafluoridophosphate 1,4-dioxane sesquisolvate","","- C33 H30 F6 N5 Ni O3 P S2 -","- C33 H30 F6 N5 Ni O3 P S2 -","- C66 H60 F12 N10 Ni2 O6 P2 S4 -","2","1","WM5374","Kai, Keisuke; Hamaguchi, Tomohiko; Ando, Isao","Crystal structure of bis-(1,10-phenanthroline-κ2N,N')(1,3-thia-zole-2-thiol-ato-κ2S2,N)nickel(II) hexa-fluorido-phosphate 1,4-dioxane sesquisolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","590","593","10.1107/S205698901700456X","","","0.71073","MoKα","","0.0519","0.0412","","","0.0889","0.0941","","","","","","1.023","","","","has coordinates","245828","2020-10-21","18:00:00",""
"2311365","5.2156","0.0005","14.0812","0.0014","9.0595","0.0009","90","","99.366","0.002","90","","656.48","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis(pyrimidin-1-ium-4,6-diolato-κO^4^)manganese(II)","","- C8 H14 Mn N4 O8 -","- C8 H14 Mn N4 O8 -","- C16 H28 Mn2 N8 O16 -","2","0.5","WM5373","Shennara, Khaled A.; Butcher, Ray J.; Greenaway, Frederick T.","Crystal structure of tetra-aqua-bis-(pyrimidin-1-ium-4,6-diolato-κO4)manganese(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 4","620","622","10.1107/S2056989017004649","","","0.71073","MoKα","","0.028","0.0266","","","0.0701","0.0712","","","","","","1.103","","","","has coordinates","245829","2020-10-21","18:00:00",""
"2311366","12.1618","0.0005","19.8355","0.0008","10.0403","0.0006","90","","91.417","0.006","90","","2421.3","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[μ-1(η^5^)-(Adamantan-1-yl-2κC^1^)cycylopentadienyl]di-μ~2~-methyl-methyl-2κC-[1(η^5^)-pentamethylcyclopentadienyl]-aluminiumtitanium(III)","","- C28 H42 Al Ti -","- C28 H42 Al Ti -","- C112 H168 Al4 Ti4 -","4","1","WM5378","Oswald, Tim; Diekmann, Mira; Frey, Annika; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structures of titanium-aluminium and -gallium complexes bearing two μ2 -CH3 units.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","691","693","10.1107/S2056989017004856","","","0.71073","MoKα","","0.055","0.0311","","","0.063","0.0677","","","","","","0.867","","","","has coordinates","245830","2020-10-21","18:00:00",""
"2311367","12.1445","0.0008","19.9196","0.0007","10.035","0.0004","90","","91.4","0.007","90","","2426.9","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[μ-1(η^5^)-(Adamantan-1-yl-2κC^1^)cycylopentadienyl]di-μ~2~-methyl-methyl-2κC-[1(η^5^)-pentamethylcyclopentadienyl]-galliumtitanium(III)","","- C28 H42 Ga Ti -","- C28 H42 Ga Ti -","- C112 H168 Ga4 Ti4 -","4","1","WM5378","Oswald, Tim; Diekmann, Mira; Frey, Annika; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structures of titanium-aluminium and -gallium complexes bearing two μ2 -CH3 units.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","691","693","10.1107/S2056989017004856","","","0.71073","MoKα","","0.034","0.0262","","","0.0636","0.0653","","","","","","0.937","","","","has coordinates","245830","2020-10-21","18:00:00",""
"2311368","7.5482","0.0004","15.7571","0.0008","14.6407","0.0006","90","","95.132","0.004","90","","1734.35","0.15","130","0.1","130","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromido{N-[(pyridin-2-yl-κN)methylidene]picolinohydrazide-κ^2^N',O}cadmium methanol monosolvate","","- C13 H14 Br2 Cd N4 O2 -","- C13 H14 Br2 Cd N4 O2 -","- C52 H56 Br8 Cd4 N16 O8 -","4","1","SU5361","Khandar, Ali Akbar; Afkhami, Farhad Akbari; Krautscheid, Harald; Kristoffersen, Kenneth Aase; Atioğlu, Zeliha; Akkurt, Mehmet; Görbitz, Carl Henrik","Crystal structures of di-bromido-{N-[(pyridin-2-yl-κN)methyl-idene]picolinohydrazide-κ2N',O}cadmium methanol monosolvate and di-iodido{N-[(pyridin-2-yl-κN)methyl-idene]picolinohydrazide-κ2N',O}cadmium.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","698","701","10.1107/S2056989017005308","","","1.5418","CuKα","","0.0486","0.0335","","","0.071","0.0779","","","","","","1.023","","","","has coordinates","245831","2020-10-21","18:00:00",""
"2311369","7.5264","0.0007","13.1325","0.0012","16.5718","0.0015","90","","94.384","0.001","90","","1633.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diiodido{N-[(pyridin-2-yl-κN)methylidene]picolinohydrazide-κ^2^N',O}cadmium","","- C12 H10 Cd I2 N4 O -","- C12 H10 Cd I2 N4 O -","- C48 H40 Cd4 I8 N16 O4 -","4","1","SU5361","Khandar, Ali Akbar; Afkhami, Farhad Akbari; Krautscheid, Harald; Kristoffersen, Kenneth Aase; Atioğlu, Zeliha; Akkurt, Mehmet; Görbitz, Carl Henrik","Crystal structures of di-bromido-{N-[(pyridin-2-yl-κN)methyl-idene]picolinohydrazide-κ2N',O}cadmium methanol monosolvate and di-iodido{N-[(pyridin-2-yl-κN)methyl-idene]picolinohydrazide-κ2N',O}cadmium.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","698","701","10.1107/S2056989017005308","","","0.71073","MoKα","","0.0321","0.0229","","","0.0541","0.0578","","","","","","1.06","","","","has coordinates,has disorder","245831","2020-10-21","18:00:00",""
"2311370","10.6489","0.0002","31.7578","0.0004","10.7212","0.0002","90","","108.607","0.002","90","","3436.24","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","μ~3~-Chlorido-μ~2~-chlorido-(μ~3~-pyrrolidine-1-carbodithioato-κ^4^S:S,S':S')tris[(triethylphosphane-κP)copper(I)]","","- C23 H53 Cl2 Cu3 N P3 S2 -","- C23 H53 Cl2 Cu3 N P3 S2 -","- C92 H212 Cl8 Cu12 N4 P12 S8 -","4","1","HB7670","Tan, Yi Jiun; Yeo, Chien Ing; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbo-dithio-ato-κ4S:S,S':S')tris-[(tri-ethyl-phosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","720","725","10.1107/S2056989017005382","","","1.54184","CuKα","","0.0307","0.0283","","","0.0716","0.073","","","","","","1.041","","","","has coordinates","245832","2020-10-21","18:00:00",""
"2311371","29.5261","0.0005","10.1413","0.0002","8.0906","0.0002","90","","91.894","0.004","90","","2421.27","0.09","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[diaquabis(2,4,6-trimethylbenzoato-κO)cobalt(II)]-μ-aqua-κ^2^O:O'] dihydrate]","","- C20 H32 Co O9 -","- C20 H32 Co O9 -","- C80 H128 Co4 O36 -","4","0.5","PJ2043","Hökelek, Tuncer; Akduran, Nurcan; Özkaya, Safiye; Necefoğlu, Hacali","Crystal structure of catena-poly[[[di-aqua-bis-(2,4,6-tri-methyl-benzoato-κO)cobalt(II)]-μ-aqua-κ2O:O] dihydrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","708","712","10.1107/S2056989017005564","","","0.71073","MoKα","","0.0728","0.0604","","","0.1513","0.1662","","","","","","1.088","","","","has coordinates","245833","2020-10-21","18:00:00",""
"2311372","7.842","0.002","9.937","0.002","8.686","0.002","90","","108.45","0.03","90","","642.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","silver aluminium hydrogen arsenate","Silver(I) aluminium bis[hydrogen arsenate(V)]","","- Ag Al As2 H2 O8 -","- Ag Al As2 H2 O8 -","- Ag4 Al4 As8 H8 O32 -","4","0.5","PK2600","Schwendtner, Karolina; Kolitsch, Uwe","New M+, M3+-arsenates - the framework structures of AgM3+(HAsO4)2 (M3+ = Al, Ga) and M+GaAs2O7 (M+ = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.0149","0.0139","","","0.037","0.0374","","","","","","1.095","","","","has coordinates","245834","2020-10-21","18:00:00",""
"2311373","7.826","0.002","10.216","0.002","8.694","0.002","90","","107.77","0.03","90","","661.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","silver gallium hydrogen arsenate","Silver(I) gallium bis[hydrogen arsenate(V)]","","- Ag As2 Ga H2 O8 -","- Ag0.996 As2 Ga H2 O8 -","- Ag3.984 As8 Ga4 H8 O32 -","4","0.5","","Schwendtner, Karolina; Kolitsch, Uwe","New M+, M3+-arsenates - the framework structures of AgM3+(HAsO4)2 (M3+ = Al, Ga) and M+GaAs2O7 (M+ = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.016","0.0147","","","0.0362","0.0366","","","","","","1.146","","","","has coordinates","245834","2020-10-21","18:00:00",""
"2311374","7.049","0.001","8.368","0.002","9.735","0.002","90","","108.47","0.03","90","","544.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","silver gallium diarsenate","Silver(I) gallium diarsenate(V)","","- Ag As2 Ga O7 -","- Ag As2 Ga O7 -","- Ag4 As8 Ga4 O28 -","4","1","","Schwendtner, Karolina; Kolitsch, Uwe","New M+, M3+-arsenates - the framework structures of AgM3+(HAsO4)2 (M3+ = Al, Ga) and M+GaAs2O7 (M+ = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.0378","0.0326","","","0.0858","0.0891","","","","","","1.048","","","","has coordinates,has disorder","245834","2020-10-21","18:00:00",""
"2311375","6.987","0.001","8.266","0.002","9.677","0.002","90","","107.5","0.03","90","","533","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","sodium gallium diarsenate","Sodium gallium diarsenate(V)","","- As2 Ga Na O7 -","- As2 Ga Na O7 -","- As8 Ga4 Na4 O28 -","4","1","","Schwendtner, Karolina; Kolitsch, Uwe","New M+, M3+-arsenates - the framework structures of AgM3+(HAsO4)2 (M3+ = Al, Ga) and M+GaAs2O7 (M+ = Na, Ag).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","785","790","10.1107/S2056989017005631","","","0.71073","MoKα","","0.0406","0.0325","","","0.0854","0.09","","","","","","1.037","","","","has coordinates","245834","2020-10-21","18:00:00",""
"2311376","9.8767","0.0005","11.4597","0.0005","14.3166","0.0007","90","","104.458","0.0007","90","","1569.1","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aqua-trans-bis(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)nickel(II)","","- C11 H17 N Ni O7 S2 -","- C11 H17 N Ni O7 S2 -","- C44 H68 N4 Ni4 O28 S8 -","4","0.5","WM5380","Liu, Chen; Felts, Ashley C.; Takahashi, Daisuke; Kinden, Wesley S.; Abboud, Khalil A.","Crystal structure of aqua-trans-bis-(dimethyl sulfoxide-κO)(pyridine-2,6-di-carboxyl-ato-κ3O2,N,O6)nickel(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 5","777","779","10.1107/S2056989017006090","","","0.71073","MoKα","","0.0162","0.0159","","","0.0429","0.0432","","","","","","1.055","","","","has coordinates","245835","2020-10-21","18:00:00",""
"2311377","10.1472","0.0001","13.6653","0.0001","13.8122","0.0001","90","","104.959","0.001","90","","1850.36","0.03","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dimethylbis(morpholine-4-carbodithioato-κ^2^S,S')tin(IV)","","- C12 H22 N2 O2 S4 Sn -","- C12 H22 N2 O2 S4 Sn -","- C48 H88 N8 O8 S16 Sn4 -","4","1","HB7675","Zaldi, Nordiyana Binti; Hussen, Rusnah Syahila Duali; Lee, See Mun; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Secondary bonding in di-methyl-bis-(morpholine-4-carbodi-thio-ato-κ2S,S')tin(IV): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","842","848","10.1107/S2056989017006855","","","1.54184","CuKα","","0.0245","0.024","","","0.0642","0.0645","","","","","","1.072","","","","has coordinates","245836","2020-10-21","18:00:00",""
"2311378","12.5864","0.0003","11.6273","0.0003","19.1271","0.0005","90","","90.529","0.001","90","","2799.05","0.12","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Bis[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ^2^N^1^,S]nickel(II) dimethylformamide monosolvate","","- C27 H35 N7 Ni O S2 -","- C27 H35 N7 Ni O S2 -","- C108 H140 N28 Ni4 O4 S8 -","4","1","WM5389","de Oliveira, Adriano Bof; Beck, Johannes; Mellone, Sônia Elizabeth Brown S; Daniels, Jörg","A new example of intra-molecular C-H⋯Ni anagostic inter-actions: synthesis, crystal structure and Hirshfeld analysis of cis-bis-[4-methyl-2-(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)hydrazinecarbo-thio-amidato-κ2N1,S]nickel(II) di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","859","863","10.1107/S2056989017007198","","","0.71073","MoKα","","0.0551","0.0335","","","0.0737","0.0809","","","","","","1.028","","","","has coordinates","245837","2020-10-21","18:00:00",""
"2311379","10.0709","0.0017","20.322","0.006","13.886","0.004","90","","102.776","0.018","90","","2771.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Chloro-N^1^-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine","","- C15 H13 Cl N4 -","- C15 H13 Cl N4 -","- C120 H104 Cl8 N32 -","8","2","","Yartsev, Yegor; Palchikov, Vitaliy; Gaponov, Alexandr; Shishkina, Svitlana","Crystal structure of 5-chloro-N1-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-di-amine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","876","879","10.1107/S2056989017007381","","","0.71073","MoKα","","0.0635","0.0369","","","0.0947","0.1023","","","","","","0.937","","","","has coordinates","245838","2020-10-21","18:00:00",""
"2311380","7.1078","0.0011","24.544","0.004","6.0449","0.0009","90","","101.898","0.002","90","","1031.9","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2E,2'E)-3,3'-(1,4-Phenylene)bis[1-(2-methoxyphenyl)prop-2-en-1-one]","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","0.5","HB7678","Sim, Aijia; Chidan Kumar, C. S.; Kwong, Huey Chong; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Chandraju, S.; Lokanath, N. K.; Warad, Ismail","Three closely related (2E,2'E)-3,3'-(1,4-phenyl-ene)bis-[1-(meth-oxy-phen-yl)prop-2-en-1-ones]: supra-molecular assemblies in one dimension mediated by hydrogen bonding and C-H⋯π inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","896","900","10.1107/S2056989017007460","","","0.71073","MoKα","","0.0549","0.0402","","","0.1087","0.1192","","","","","","1.033","","","","has coordinates","245839","2020-10-21","18:00:00",""
"2311381","5.2626","0.0005","15.6157","0.0014","12.4824","0.0011","90","","98.76","0.002","90","","1013.83","0.16","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2E,2'E)-3,3'-(1,4-Phenylene)bis[1-(3-methoxyphenyl)prop-2-en-1-one]","","- C26 H22 O4 -","- C26 H22 O4 -","- C52 H44 O8 -","2","0.5","HB7678","Sim, Aijia; Chidan Kumar, C. S.; Kwong, Huey Chong; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Chandraju, S.; Lokanath, N. K.; Warad, Ismail","Three closely related (2E,2'E)-3,3'-(1,4-phenyl-ene)bis-[1-(meth-oxy-phen-yl)prop-2-en-1-ones]: supra-molecular assemblies in one dimension mediated by hydrogen bonding and C-H⋯π inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","896","900","10.1107/S2056989017007460","","","0.71073","MoKα","","0.0743","0.0436","","","0.1119","0.132","","","","","","1.034","","","","has coordinates","245839","2020-10-21","18:00:00",""
"2311382","6.9595","0.0006","21.0272","0.0017","8.3297","0.0007","90","","103.602","0.002","90","","1184.77","0.17","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2E,2'E)-3,3'-(1,4-Phenylene)bis[1-(3,4-dimethoxyphenyl)prop-2-en-1-one]","","- C28 H26 O6 -","- C28 H26 O6 -","- C56 H52 O12 -","2","0.5","HB7678","Sim, Aijia; Chidan Kumar, C. S.; Kwong, Huey Chong; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Chandraju, S.; Lokanath, N. K.; Warad, Ismail","Three closely related (2E,2'E)-3,3'-(1,4-phenyl-ene)bis-[1-(meth-oxy-phen-yl)prop-2-en-1-ones]: supra-molecular assemblies in one dimension mediated by hydrogen bonding and C-H⋯π inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","896","900","10.1107/S2056989017007460","","","0.71073","MoKα","","0.0699","0.0487","","","0.1215","0.1358","","","","","","1.043","","","","has coordinates","245839","2020-10-21","18:00:00",""
"2311383","11.4866","0.0003","9.4448","0.0002","16.8257","0.0005","90","","109.227","0.003","90","","1723.58","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3S,4aS,8aS)-2-[(2R,3S)-3-Benzamido-2-benzoyloxy-4-phenylbutyl]-N-tert-butyldecahydroisoquinoline-3-carboxamide","","- C38 H47 N3 O4 -","- C38 H47 N3 O4 -","- C76 H94 N6 O8 -","2","1","PK2602","Cunico, Wilson; Ferreira, Maria de Lourdes G; Wardell, James L.; Harrison, William T. A.","Different intra- and inter-molecular hydrogen-bonding patterns in (3S,4aS,8aS)-2-[(2R,3S)-3-(2,5-X2-benzamido)-2-(2,5-X2-benzo-yloxy)-4-phenyl-butyl]-N-tert-butyldeca-hydro-iso-quinoline-3-carboxamides (X = H or Cl): compounds with moderate aspartyl protease inhibition activity.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","913","917","10.1107/S2056989017007800","","","1.54184","CuKα","","0.0671","0.0558","","","0.1414","0.1506","","","","","","1.068","","","","has coordinates","245840","2020-10-21","18:00:00",""
"2311384","10.4539","0.0001","15.1917","0.0001","24.3677","0.0002","90","","90","","90","","3869.9","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S,4aS,8aS)-2-[(2R,3S)-3-(2,5-Dichlorobenzamido)-2-(2,5-dichlorobenzoyloxy)-4-phenylbutyl]-N-tert-butyldecahydroisoquinoline-3-carboxamide","","- C38 H43 Cl4 N3 O4 -","- C38 H43 Cl4 N3 O4 -","- C152 H172 Cl16 N12 O16 -","4","1","PK2602","Cunico, Wilson; Ferreira, Maria de Lourdes G; Wardell, James L.; Harrison, William T. A.","Different intra- and inter-molecular hydrogen-bonding patterns in (3S,4aS,8aS)-2-[(2R,3S)-3-(2,5-X2-benzamido)-2-(2,5-X2-benzo-yloxy)-4-phenyl-butyl]-N-tert-butyldeca-hydro-iso-quinoline-3-carboxamides (X = H or Cl): compounds with moderate aspartyl protease inhibition activity.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","913","917","10.1107/S2056989017007800","","","1.54184","CuKα","","0.038","0.0375","","","0.0994","0.0998","","","","","","1.051","","","","has coordinates","245840","2020-10-21","18:00:00",""
"2311385","15.6367","0.0015","17.897","0.0017","22.532","0.002","90","","104.502","0.002","90","","6104.7","1","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexakis[μ~3~-1,2-bis(trifluoromethyl)ethene-1,2-dithiolato]-octahedro-hexapalladium(II) benzene 2.5-solvate","","- C39 H15 F36 Pd6 S12 -","- C39 H15 F36 Pd6 S12 -","- C156 H60 F144 Pd24 S48 -","4","1","ZL2703","Moscattini, Joshua; Lough, Alan J.; Fekl, Ulrich","C2-isomer of [Pd(tfd)]6 [tfd is S2C2(CF3)2] as its benzene solvate: a new member of the small but growing class of homoleptic palladium(II) monodi-thio-lenes in the form of hexa-meric cubes.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","957","962","10.1107/S2056989017007897","","","0.71073","MoKα","","0.062","0.0399","","","0.0777","0.0908","","","","","","1.107","","","","has coordinates,has disorder","245841","2020-10-21","18:00:00",""
"2311386","11.837","0.004","23.126","0.007","17.836","0.005","90","","94.165","0.01","90","","4870","3","120","2","120.03","","","","","","","","","8","P 1 21 1","P 2yb","4","","{(R)-N^2^-[(Benzo[h]quinolin-2-yl)methyl]-N^2'^-[(benzo[h]quinolin-2-yl)methylidene]-1,1'-binaphthyl-2,2'-diamine-κ^4^N,N',N'',N'''}(trifluoromethanesulfonato-κO)zinc(II)} trifluoromethanesulfonate dichloromethane 1.5-solvate","","- C51.5 H35 Cl3 F6 N4 O6 S2 Zn -","- C51.5 H35 Cl3 F6 N4 O6 S2 Zn -","- C206 H140 Cl12 F24 N16 O24 S8 Zn4 -","4","2","IM2476","Skokan, Shayna R.; Reeson, Monica M.; Oshin, Kayode D.; Vinokur, Anastasiya I.; Desper, John A.; Levy, Christopher J.","Crystal structure of {(R)-N2-[(benzo[h]quinolin-2-yl)meth-yl]-N2'-[(benzo[h]quinolin-2-yl)methyl-idene]-1,1'-binaphthyl-2,2'-di-amine-κ4N,N',N'',N'''}(trifluoromethane-sulfonato-κO)zinc(II)} trifluoromethane-sulfonate di-chloro-methane 1.5-solvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","949","953","10.1107/S2056989017008027","","","0.71073","MoKα","","0.0488","0.0387","","","0.0862","0.0917","","","","","","1.026","","","","has coordinates,has disorder","245842","2020-10-21","18:00:00",""
"2311387","38.3604","0.0009","13.6382","0.0003","26.3548","0.0006","90","","91.069","0.002","90","","13785.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(N'-{(E)-[(2E)-1,3-diphenylprop-2-en-1-ylidene]amino}-N-ethylcarbamimidothioato-κ^2^N',S)zinc(II)","","- C36 H36 N6 S2 Zn -","- C36 H36 N6 S2 Zn -","- C576 H576 N96 S32 Zn16 -","16","2","HB7684","Tan, Ming Yueh; Crouse, Karen A.; Ravoof, Thahira B. S. A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis(N'-{(E)-[(2E)-1,3-di-phenyl-prop-2-en-1-yl-idene]amino}-N-ethyl-carbamimido-thio-ato-κ2N',S)zinc(II): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1001","1008","10.1107/S2056989017008064","","","0.71073","MoKα","","0.0515","0.0369","","","0.0758","0.0838","","","","","","1.039","","","","has coordinates","245843","2020-10-21","18:00:00",""
"2311388","9.224","0.004","12.083","0.006","13.673","0.007","69.206","0.014","80.361","0.017","69.054","0.014","1329.1","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","catena-Poly[[[aquabis(dimethylformamide-κO)magnesium(II)]-μ~3~-(2,2'-bipyridine-5,5'-dicarboxylato-κ^5^O^2^:O^2'^:N,N':O^5^)-[dichloridoplatinum(II)]] dimethylformamide monosolvate]","","- C21 H29 Cl2 Mg N5 O8 Pt -","- C21 H29 Cl2 Mg N5 O8 Pt -","- C42 H58 Cl4 Mg2 N10 O16 Pt2 -","2","1","VN2129","Lundvall, Fredrik; Tilset, Mats","Crystal structure of catena-poly[[[aqua-bis-(di-methyl-formamide-κO)magnesium(II)]-μ3-(2,2'-bi-pyridine-5,5'-di-carboxyl-ato-κ5O2:O2':N,N':O5)-[di-chlorido-platinum(II)]] di-methyl-formamide monosolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","971","974","10.1107/S2056989017008118","","","0.71073","MoKα","","0.0295","0.0276","","","0.072","0.0738","","","","","","1.086","","","","has coordinates,has disorder","245844","2020-10-21","18:00:00",""
"2311389","13.6185","0.0004","22.6439","0.0018","18.5341","0.0006","90","","90.811","0.003","90","","5714.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[tetrakis(tetrahydrofuran-κO)lithium] bis[μ-2,2',2''-methanetriyltris(4,6-di-tert-butylphenolato)-κ^4^O,O':O',O'']dimagnesiate","","- C118 H186 Li2 Mg2 O14 -","- C118 H186 Li2 Mg2 O14 -","- C236 H372 Li4 Mg4 O28 -","2","0.5","ZS2380","Zhou, Hongyan; Wang, Lei","Crystal structure of bis-[tetra-kis-(tetra-hydro-furan-κO)lithium] bis[μ-2,2',2''-methanetriyltris(4,6-di-tert-butylphenolato)-κ4O,O':O',O'']-dimagnesiate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1026","1028","10.1107/S2056989017008337","","","0.71073","MoKα","","0.094","0.059","","","0.1312","0.1486","","","","","","1.046","","","","has coordinates","245845","2020-10-21","18:00:00",""
"2311390","7.087","0.002","10.446","0.003","6.692","0.0016","90","","116.61","0.02","90","","442.9","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Dichlorido(1,2-phenylenediamine-κ^2^N,N')platinum(II)","","- C6 H8 Cl2 N2 Pt -","- C6 H8 Cl2 N2 Pt -","- C12 H16 Cl4 N4 Pt2 -","2","0.5","WM5396","Konno, Yosuke; Matsushita, Nobuyuki","Crystal structure of di-chlorido-(1,2-phenyl-enedi-amine-κ2N,N')platinum(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1009","1012","10.1107/S2056989017008477","","","0.71075","MoKα","","0.0359","0.0341","","","0.0978","0.0991","","","","","","1.179","","","","has coordinates","245846","2020-10-21","18:00:00",""
"2311391","15.4638","0.0014","16.2069","0.001","17.6205","0.0015","90","","111.213","0.01","90","","4116.8","0.6","297","1","297","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-Oxalato-κ^2^O^1^:O^2^-bis[triphenyl(dimethyl sulfoxide-κO)tin(IV)]","","- C42 H42 O6 S2 Sn2 -","- C42 H42 O6 S2 Sn2 -","- C168 H168 O24 S8 Sn8 -","4","0.5","IM2477","Pouye, Serigne Fallou; Cisse, Ibrahima; Diop, Libasse; Dolmella, Alessandro; Bernès, Sylvain","Crystal structure of μ-oxalato-κ2O1:O2-bis-[(dimethyl sulfoxide-κO)tri-phenyl-tin(IV)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1033","1036","10.1107/S2056989017008519","","","0.71073","MoKα","","0.0984","0.0465","","","0.0747","0.0902","","","","","","1.021","","","","has coordinates,has disorder","245847","2020-10-21","18:00:00",""
"2311392","12.9983","0.0007","15.2709","0.001","15.5153","0.001","90","","90","","90","","3079.7","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dichlorido(1,10-phenanthroline-κ^2^N,N')gold(III) hexafluoridophosphate","","- C12 H8 Au Cl2 F6 N2 P -","- C12 H8 Au Cl2 F6 N2 P -","- C96 H64 Au8 Cl16 F48 N16 P8 -","8","1","WM5398","Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; Corbi, Pedro Paulo","Synthesis and crystal structure of di-chlorido-(1,10-phenanthroline-κ2N,N')gold(III) hexa-fluorido-phosphate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1048","1051","10.1107/S2056989017008763","","","0.71073","MoKα","","0.0273","0.019","","","0.0381","0.0399","","","","","","1.007","","","","has coordinates","245848","2020-10-21","18:00:00",""
"2311393","12.2213","0.0002","42.2455","0.0007","15.5956","0.0003","90","","108.222","0.002","90","","7648.1","0.2","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris(N-{bis[methyl(phenyl)amino]phosphoryl}benzenesulfonamidato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')lanthanum(III)","","- C72 H71 La N11 O9 P3 S3 -","- C72 H71 La N11 O9 P3 S3 -","- C288 H284 La4 N44 O36 P12 S12 -","4","1","","Prytula-Kurkunova, Angelina Yu; Trush, Victor A.; Dyakonenko, Viktoriya V.; Sliva, Tetyana Yu; Amirkhanov, Vladimir M.","Tris(N-{bis-[meth-yl(phen-yl)amino]-phosphor-yl}benzene-sulfonamidato-κ2O,O')(1,10-phenanthroline-κ2N,N')lanthanum(III).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1076","1081","10.1107/S2056989017008970","","","0.71073","MoKα","","0.0652","0.0467","","","0.1104","0.1193","","","","","","1.077","","","","has coordinates,has disorder","245849","2020-10-21","18:00:00",""
"2311394","10.8154","0.0009","9.3243","0.0007","13.3313","0.0011","90","","106.648","0.006","90","","1288.06","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dipotassium tetrathiocyanatomercurate(II)","","- C4 Hg K2 N4 S4 -","- C4 Hg K2 N4 S4 -","- C16 Hg4 K8 N16 S16 -","4","0.5","WM5399","Bandemehr, Jascha; Conrad, Matthias; Kraus, Florian","Redetermination of the crystal structure of K2Hg(SCN)4.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1073","1075","10.1107/S2056989017009148","","","0.71073","MoKα","","0.0347","0.0244","","","0.0499","0.0533","","","","","","1.078","","","","has coordinates","245850","2020-10-21","18:00:00",""
"2311395","9.3022","0.001","28.482","0.003","5.5208","0.0006","90","","90","","90","","1462.7","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(1H-1-Benzofuran-2-yl)-2-oxoethyl 2-nitrobenzoate","","- C17 H11 N O6 -","- C17 H11 N O6 -","- C68 H44 N4 O24 -","4","1","QM2116","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates: structural differences and C-H⋯O hydrogen-bonded supra-molecular assemblies.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1087","1091","10.1107/S2056989017009422","","","0.71073","MoKα","","0.049","0.0382","","","0.0797","0.0854","","","","","","1.08","","","","has coordinates","245851","2020-10-21","18:00:00",""
"2311396","5.1839","0.0012","10.853","0.003","12.269","0.003","93.562","0.003","91.167","0.003","98.714","0.003","680.7","0.3","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","2-(1H-1-Benzofuran-2-yl)-2-oxoethyl 2-aminobenzoate","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C34 H26 N2 O8 -","2","1","","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates: structural differences and C-H⋯O hydrogen-bonded supra-molecular assemblies.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1087","1091","10.1107/S2056989017009422","","","0.71073","MoKα","","0.0735","0.0464","","","0.1032","0.1229","","","","","","1.082","","","","has coordinates","245851","2020-10-21","18:00:00",""
"2311397","5.5333","0.0008","11.3212","0.0017","11.5186","0.0018","92.283","0.003","91.536","0.003","99.638","0.003","710.41","0.19","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-(Benzofuran-2-yl)-2-oxoethyl 2-chlorobenzoate","","- C17 H11 Cl O4 -","- C17 H11 Cl O4 -","- C34 H22 Cl2 O8 -","2","1","QM2117","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Steric repulsion and supra-molecular assemblies via a two-dimensional plate by C-H⋯O hydrogen bonds in two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 8","1227","1231","10.1107/S2056989017010556","","","0.71073","MoKα","","0.0611","0.0449","","","0.1286","0.1453","","","","","","1.033","","","","has coordinates","245852","2020-10-21","18:00:00",""
"2311398","7.4094","0.0003","9.7566","0.0004","10.5832","0.0005","83.43","0.001","71.808","0.001","87.265","0.001","721.99","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-(Benzofuran-2-yl)-2-oxoethyl 2-methoxybenzoate","","- C18 H14 O5 -","- C18 H14 O5 -","- C36 H28 O10 -","2","1","QM2117","Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Steric repulsion and supra-molecular assemblies via a two-dimensional plate by C-H⋯O hydrogen bonds in two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 8","1227","1231","10.1107/S2056989017010556","","","0.71073","MoKα","","0.0543","0.0451","","","0.115","0.1242","","","","","","1.04","","","","has coordinates","245852","2020-10-21","18:00:00",""
"2311399","8.7837","0.0012","12.091","0.0016","14.0097","0.0019","97.5367","0.0015","105.15","0.0014","109.318","0.0014","1316.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Chlorido(dimethyl sulfoxide-κS)bis[4-(pyridin-2-yl)benzaldehyde-κ^2^C^3^,N]iridium(III) acetonitrile monosolvate","","- C28 H25 Cl Ir N3 O3 S -","- C28 H25 Cl Ir N3 O3 S -","- C56 H50 Cl2 Ir2 N6 O6 S2 -","2","1","WM5400","Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T.","Crystal structure of chlorido-(dimethyl sulfoxide-κS)bis-[4-(pyridin-2-yl)benzaldehyde-κ3C2,N]iridium(III) aceto-nitrile monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1279","1281","10.1107/S2056989017010945","","","0.71073","MoKα","","0.0158","0.0152","","","0.0363","0.0365","","","","","","1.681","","","","has coordinates","245853","2020-10-21","18:00:00",""
"2311400","6.6663","0.0003","10.6256","0.0005","33.3005","0.0017","90","","90","","90","","2358.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pulcherrin J","(4aR,5S,6aR,11aR,11bR)-4a-Hydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-5-yl cinnamate","","- C29 H36 O4 -","- C29 H36 O4 -","- C116 H144 O16 -","4","1","HB7687","Ogbeide, K. Osahon; Mujeeb-Ur-Rehman, ?; Owolabi, J. Bodunde; Falodun, Abiodun; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of pulcherrin J.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1572","1575","10.1107/S2056989017011239","","","1.54178","CuKα","","0.0531","0.0384","","","0.0769","0.0817","","","","","","1.047","","","","has coordinates","245855","2020-10-21","18:00:00",""
"2311401","11.6496","0.0007","18.5016","0.0011","17.1626","0.0009","90","","105.176","0.0016","90","","3570.2","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[N^2^,N^6^-Bis(di-tert-butylphosphanyl)pyridine-2,6-diamine]dibromidomanganese(II)‒[bis(di-tert-butylphosphanyl)({6-[(di-tert-butylphosphanyl)amino]pyridin-2-yl}amino)phosphine oxide]dibromidomanganese(II)‒tetrahydrofuran (0.94/0.06/2)","","- C29 H57 Br2 Mn N3 O2.057 P2 -","- C29 H57.0016 Br2 Mn N3 O2.0569 P2 -","- C116 H228.006 Br8 Mn4 N12 O8.2276 P8 -","4","1","SJ5533","Rotter, Markus; Mastalir, Matthias; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","Crystal structure of the tetra-hydro-furan disolvate of a 94:6 solid solution of [N2,N6-bis-(di-tert-butyl-phosphan-yl)pyridine-2,6-di-amine]-dibromido-manganese(II) and its monophosphine oxide analogue.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1308","1311","10.1107/S2056989017011276","","","0.71073","MoKα","","0.064","0.0394","","","0.0438","0.0453","","","","","","1.92","","","","has coordinates","245856","2020-10-21","18:00:00",""
"2311402","7.6304","0.0003","13.1897","0.0006","9.667","0.0004","90","","104.974","0.0017","90","","939.87","0.07","175","","175","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis(1,3-dimethyl-2,6-dioxo-7H-purin-7-ido-κN^7^)cobalt(II)","","- C14 H22 Co N8 O8 -","- C14 H22 Co N8 O8 -","- C28 H44 Co2 N16 O16 -","2","0.5","","El Hamdani, Hicham; El Amane, Mohammed; Duhayon, Carine","Crystal structure of tetra-aqua-bis-(1,3-dimethyl-2,6-dioxo-7H-purin-7-ido-κN7)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1302","1304","10.1107/S2056989017011379","","","0.71073","MoKα","","0.0211","0.0208","","0.0236","0.023","0.0229","","","","","","1","","","","has coordinates","245857","2020-10-21","18:00:00",""
"2311403","5.5357","0.0016","8.548","0.002","27.026","0.007","90","","90","","90","","1278.8","0.6","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate:","","- C13 H13 F N2 O3 -","- C13 H13 F N2 O3 -","- C52 H52 F4 N8 O12 -","4","1","DS2246","Patel, U. H.; Jotaniya, Chintan; Shah, D. A.; Socha, Bhavesh","Ethyl 2-amino-1-(4-fluoro-phen-yl)-5-oxo-4,5-di-hydro-1H-pyrrole-3-carboxyl-ate: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1336","1340","10.1107/S2056989017011628","","","0.71073","MoKα","","","0.075","","","","0.148","","","","","","1.181","","","","has coordinates","245858","2020-10-21","18:00:00",""
"2311404","20.471","0.0008","5.5578","0.0002","10.791","0.0003","90","","98.122","0.003","90","","1215.42","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ~2~-Adipato-κ^4^O,O':O'',O''')bis[aqua(benzene-1,2-diamine-κ^2^N,N')chloridocadmium]","","- C18 H28 Cd2 Cl2 N4 O6 -","- C18 H28 Cd2 Cl2 N4 O6 -","- C36 H56 Cd4 Cl4 N8 O12 -","2","0.5","HB7697","Rahman, Wannur Sofiasalamah Khairiah A.; Ahmad, J.; Halim, Siti Nadiah Abdul; Jotani, Mukesh M.; Tiekink, Edward R. T.","(μ2-Adipato-κ4O,O':O'',O''')bis-[aqua-(benzene-1,2-di-amine-κ2N,N')-chlorido-cadmium]: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1363","1367","10.1107/S2056989017011677","","","0.71073","MoKα","","0.0355","0.0281","","","0.0605","0.0648","","","","","","1.043","","","","has coordinates","245859","2020-10-21","18:00:00",""
"2311405","23.4004","0.0005","15.1685","0.0004","9.2353","0.0003","90","","90","","90","","3278.06","0.15","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aquabis(nicotinamide-κN^1^)bis(2,4,6-trimethylbenzoato-κO)zinc","","- C32 H36 N4 O7 Zn -","- C32 H36 N4 O7 Zn -","- C128 H144 N16 O28 Zn4 -","4","0.5","IS5478","Hökelek, Tuncer; Aşkın, Gülçin Şefiye; Özkaya, Safiye; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κN1)bis-(2,4,6-tri-methyl-benzoato-κO)zinc.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1348","1352","10.1107/S2056989017011690","","","0.71073","MoKα","","0.0575","0.0446","","","0.1177","0.1272","","","","","","1.082","","","","has coordinates","245860","2020-10-21","18:00:00",""
"2311406","29.5091","0.0015","6.227","0.0004","20.2703","0.001","90","","91.13","0.004","90","","3724","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-2,6-Di-tert-butyl-4-{[2-(pyridin-2-yl)hydrazin-1-ylidene)methyl}phenol","","- C20 H27 N3 O -","- C20 H27 N3 O -","- C160 H216 N24 O8 -","8","1","HG5492","Faizi, Md Serajul Haque; Haque, Ashanul; Dege, Mustafa; Dege, Necmi; Malysheva, Maria L.","Crystal structure and DFT study of (E)-2,6-di-tert-butyl-4-{[2-(pyridin-2-yl)hydrazin-1-yl-idene)meth-yl}phenol.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1449","1452","10.1107/S2056989017011707","","","0.71073","MoKα","","0.1935","0.101","","","0.268","0.3213","","","","","","0.961","","","","has coordinates","245861","2020-10-21","18:00:00",""
"2311407","6.897","0.002","7.05","0.001","9.853","0.003","101.042","0.007","109.559","0.01","94.196","0.006","438.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","catena-poly[[aquachloridomanganese(II)]-di-μ-chlorido-[aquachloridomanganese(II)]-bis(μ-pyridine N-oxide)]","","- C5 H7 Cl2 Mn N O2 -","- C5 H7 Cl2 Mn N O2 -","- C10 H14 Cl4 Mn2 N2 O4 -","2","1","ZL2709","Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford","Manganese(II) chloride complexes with pyridine N-oxide (PNO) derivatives and their solid-state structures.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1434","1438","10.1107/S2056989017012038","","","0.71073","MoKα","","0.037","0.0311","","","0.0729","0.0797","","","","","","1.136","","","","has coordinates","245862","2020-10-21","18:00:00",""
"2311408","6.862","0.002","7.491","0.002","18.047","0.005","90","","90","","90","","927.7","0.4","173","2","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aquachloridomanganese(II)]-di-μ-chlorido-[aquachloridomanganese(II)]-bis(μ-2-methylpyridine N-oxide)]","","- C6 H9 Cl2 Mn N O2 -","- C6 H9 Cl2 Mn N O2 -","- C24 H36 Cl8 Mn4 N4 O8 -","4","1","","Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford","Manganese(II) chloride complexes with pyridine N-oxide (PNO) derivatives and their solid-state structures.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1434","1438","10.1107/S2056989017012038","","","0.71075","MoKα","","0.0631","0.0511","","","0.094","0.1","","","","","","1.119","","","","has coordinates,has disorder","245862","2020-10-21","18:00:00",""
"2311409","7.902","0.007","8.026","0.007","9.893","0.008","98.033","0.001","99.272","0.007","113.634","0.011","552.6","0.8","173","2","173","","","","","","","","","6","P -1","-P 1","2","","Bis(μ-3-methylpyridine N-oxide)bis[diaquadichloridomanganese(II)]","","- C12 H22 Cl4 Mn2 N2 O6 -","- C12 H22 Cl4 Mn2 N2 O6 -","- C12 H22 Cl4 Mn2 N2 O6 -","1","0.5","","Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford","Manganese(II) chloride complexes with pyridine N-oxide (PNO) derivatives and their solid-state structures.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1434","1438","10.1107/S2056989017012038","","","0.71073","MoKα","","0.033","0.0313","","","0.0852","0.0871","","","","","","1.07","","","","has coordinates","245862","2020-10-21","18:00:00",""
"2311410","8.073","0.0004","11.0143","0.0004","23.0453","0.0007","87.54","0.003","89.175","0.003","87.729","0.003","2045.49","0.14","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","Bis(3,5-dimethoxy-2-{[2-(pyridin-2-yl)ethylimino-κN]methyl}phenolato-κO)bis(dimethyl sulfoxide)manganese(III) perchlorate methanol 0.774-solvate","","- C36.77 H49.1 Cl Mn N4 O12.77 S2 -","- C36.774 H49.096 Cl Mn N4 O12.774 S2 -","- C73.548 H98.192 Cl2 Mn2 N8 O25.548 S4 -","2","1","IM2481","Egekenze, Rita; Gultneh, Yilma; Butcher, Ray J.","Bis(3,5-dimeth-oxy-2-{[2-(pyridin-2-yl)ethyl-imino-κN]-meth-yl}phenolato-κO)bis-(dimethyl sulfoxide)-manganese(III) perchlorate methanol 0.774-solvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1479","1482","10.1107/S205698901701204X","","","0.71073","MoKα","","0.0782","0.0603","","","0.1387","0.1487","","","","","","1.103","","","","has coordinates,has disorder","245863","2020-10-21","18:00:00",""
"2311411","7.8273","0.001","6.4466","0.001","6.1304","0.0008","90","","90","","90","","309.34","0.07","173","2","173","2","","","","","","","","3","P m n 21","P 2ac -2","31","","Lithium tetrachloridoaluminate","","- Al Cl4 Li -","- Al Cl4 Li -","- Al2 Cl8 Li2 -","2","0.5","WM5410","Prömper, Stephan W; Frank, Walter","Lithium tetra-chlorido-aluminate, LiAlCl4: a new polymorph (oP12, Pmn21) with Li+ in tetra-hedral inter-stices.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1426","1429","10.1107/S205698901701235X","","","0.71073","MoKα","","0.0309","0.0282","","","0.074","0.0745","","","","","","1.207","","","","has coordinates","245864","2020-10-21","18:00:00",""
"2311412","14.71","0.0011","10.7163","0.0006","14.9312","0.0012","90","","91.828","0.01","90","","2352.5","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro-tetrakis[μ-4-(ammoniomethyl)cyclohexane-1-carboxylato-\ O,O']dicopper(II) dichloride hexahydrate","","- C32 H72 Cl4 Cu2 N4 O14 -","- C32 H72 Cl4 Cu2 N4 O14 -","- C64 H144 Cl8 Cu4 N8 O28 -","2","0.5","","Altaf, Muhammad; Stoeckli-Evans, Helen","A copper(II) paddle-wheel structure of tranexamic acid: di-chloro-tetra-kis-[μ-4-(ammonio-meth-yl)cyclo-hexane-1-carboxyl-ato-O,O']dicopper(II) dichloride hexa-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1421","1425","10.1107/S2056989017012543","","","0.71073","MoKα","","0.0907","0.0666","","","0.1846","0.1964","","","","","","1.019","","","","has coordinates","245865","2020-10-21","18:00:00",""
"2311413","10.9097","0.0003","12.9481","0.0003","15.4066","0.0004","97.78","0.002","99.924","0.002","99.003","0.002","2087.68","0.1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","Bis(N,N'-dicyclohexylamidinatocarboranate)tin(II)","","- C30 H66 B20 N4 Sn -","- C30 H66 B20 N4 Sn -","- C60 H132 B40 N8 Sn2 -","2","1","ZL2714","Harmgarth, Nicole; Liebing, Phil; Hillebrand, Philipp; Busse, Sabine; Edelmann, Frank T.","Synthesis and crystal structures of two new tin bis-(carboranylamidinate) complexes.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1443","1448","10.1107/S2056989017012671","","","0.71073","MoKα","","0.0256","0.022","","","0.0565","0.0577","","","","","","1.049","","","","has coordinates","245866","2020-10-21","18:00:00",""
"2311414","11.3063","0.0004","13.4631","0.0004","13.7953","0.0004","97.078","0.002","106.572","0.002","113.377","0.002","1779.52","0.11","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","Bis(N,N'-diisopropylamidinatocarboranate)chloridotin(IV)","","- C18 H49 B20 Cl N4 Sn -","- C18 H49 B20 Cl N4 Sn -","- C36 H98 B40 Cl2 N8 Sn2 -","2","1","","Harmgarth, Nicole; Liebing, Phil; Hillebrand, Philipp; Busse, Sabine; Edelmann, Frank T.","Synthesis and crystal structures of two new tin bis-(carboranylamidinate) complexes.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1443","1448","10.1107/S2056989017012671","","","0.71073","MoKα","","0.0526","0.0394","","","0.087","0.0917","","","","","","1.015","","","","has coordinates","245866","2020-10-21","18:00:00",""
"2311415","11.69","0.004","8.33","0.002","16.16","0.005","90","","90.31","0.02","90","","1573.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Azaniumyl-2,2,6,6-tétraméthylpipéridin-1-ium diperchlorate","","- C9 H22 Cl2 N2 O8 -","- C9 H22 Cl2 N2 O8 -","- C36 H88 Cl8 N8 O32 -","4","1","VM2204","Chebbi, Hammouda; Boumakhla, Abdessalem; Zid, Mohamed Faouzi; Guesmi, Abderrahmen","Structure cristalline et analyses thermique et de surface Hirshfeld du diperchlorate de 4-aza-niumyl-2,2,6,6-tétraméthylpipéridin-1-ium.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1453","1457","10.1107/S2056989017012695","","","0.71073","MoKα","","0.0901","0.0606","","","0.1568","0.1759","","","","","","1.038","","","","has coordinates,has disorder","245867","2020-10-21","18:00:00",""
"2311416","8.829","0.005","11.68","0.007","7.727","0.005","90","","113.475","0.01","90","","730.9","0.8","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","EBTB","2-(Benzenecarbothioyloxy)ethyl benzenecarbothioate","","- C16 H14 O2 S2 -","- C16 H14 O2 S2 -","- C32 H28 O4 S4 -","2","0.5","","Tanaka, Syuto; Masu, Hyuma; Sasanuma, Yuji","Crystal structures of 2-(benzene-carbo-thio-yloxy)ethyl benzene-carbo-thio-ate and 2-(benzene-carbo-thio-yloxy)ethyl benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1430","1433","10.1107/S2056989017012701","","","0.71073","MoKα","","0.0318","0.0291","","","0.0777","0.0802","","","","","","1.029","","","","has coordinates","245868","2020-10-21","18:00:00",""
"2311417","8.8","0.005","11.403","0.006","7.506","0.004","90","","113.831","0.006","90","","689","0.6","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","EMTB","2-(Benzenecarbothioyloxy)ethyl benzoate","","- C16 H14 O3 S -","- C16 H14 O3 S -","- C32 H28 O6 S2 -","2","0.5","","Tanaka, Syuto; Masu, Hyuma; Sasanuma, Yuji","Crystal structures of 2-(benzene-carbo-thio-yloxy)ethyl benzene-carbo-thio-ate and 2-(benzene-carbo-thio-yloxy)ethyl benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1430","1433","10.1107/S2056989017012701","","","0.71073","MoKα","","0.0452","0.0382","","","0.0855","0.0897","","","","","","1.079","","","","has coordinates,has disorder","245868","2020-10-21","18:00:00",""
"2311418","11.499","0.004","8.571","0.0019","25.945","0.007","90","","95.515","0.008","90","","2545.2","1.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[N-2-hydroxyethyl,N-methyldithiocarbamato-κ^2^S,\ S)'-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-\ κN^1^)zinc(II)","","- C20 H26 N6 O2 S4 Zn -","- C20 H26 N6 O2 S4 Zn -","- C80 H104 N24 O8 S16 Zn4 -","4","1","HB7702","Broker, Grant A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis[N-2-hy-droxy-ethyl,N-methyl-dithio-carbamato-κ2S,S)'-4-{[(pyridin-4-yl-methyl-idene)hydrazinyl-idene}meth-yl]pyridine-κN1)zinc(II): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1458","1464","10.1107/S2056989017012725","","","0.71069","MoKα","","0.0543","0.0497","","","0.1287","0.1322","","","","","","1.126","","","","has coordinates","245869","2020-10-21","18:00:00",""
"2311419","8.3993","0.0003","9.103","0.0003","15.6862","0.0005","92.116","0.002","101.113","0.002","112.81","0.002","1076.53","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","flucetosulfuron","1-[3-({[(4,6-Dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)pyridin-2-yl]-\ 2-fluoropropyl 2-methoxyacetate","","- C18 H22 F N5 O8 S -","- C18 H22 F N5 O8 S -","- C36 H44 F2 N10 O16 S2 -","2","1","","Park, Hyunjin; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of flucetosulfuron.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1439","1442","10.1107/S2056989017012737","","","0.71073","MoKα","","0.0506","0.0394","","","0.0934","0.0986","","","","","","1.062","","","","has coordinates","245870","2020-10-21","18:00:00",""
"2311420","8.1358","0.0002","23.8364","0.0007","10.5983","0.0003","90","","110.21","0.001","90","","1928.77","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzenesulfonyl-2-methyl-3-(4-nitrobenzoyl)-2,3-dihydro-1H-indole","","- C22 H16 N2 O5 S -","- C22 H16 N2 O5 S -","- C88 H64 N8 O20 S4 -","4","1","FF2151","Dhanalakshmi, G.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.; Aravindhan, S.","Crystal structures of 1-benzene-sulfon-yl-2-methyl-3-(4-nitro-benzoyl)-2,3-di-hydro-1H-indole and 1-benzene-sulfon-yl-2-methyl-3-[(thio-phen-2-yl)carbon-yl]-2,3-di-hydro-1H-indole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1555","1559","10.1107/S2056989017012804","","","1.54178","CuKα","","0.0472","0.0422","","","0.1139","0.1177","","","","","","1.065","","","","has coordinates","245871","2020-10-21","18:00:00",""
"2311421","8.93","0.0002","10.8141","0.0003","18.6398","0.0005","90","","90","","90","","1800.04","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Benzenesulfonyl-2-methyl-3-[(thiophen-2-yl)carbonyl]-2,3-dihydro-1H-indole","","- C20 H15 N O3 S2 -","- C20 H15 N O3 S2 -","- C80 H60 N4 O12 S8 -","4","1","FF2151","Dhanalakshmi, G.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.; Aravindhan, S.","Crystal structures of 1-benzene-sulfon-yl-2-methyl-3-(4-nitro-benzoyl)-2,3-di-hydro-1H-indole and 1-benzene-sulfon-yl-2-methyl-3-[(thio-phen-2-yl)carbon-yl]-2,3-di-hydro-1H-indole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1555","1559","10.1107/S2056989017012804","","","1.54178","CuKα","","0.0422","0.0394","","","0.1038","0.1064","","","","","","1.061","","","","has coordinates","245871","2020-10-21","18:00:00",""
"2311422","7.6131","0.0005","11.7216","0.0007","27.7076","0.0017","90","","90","","90","","2472.6","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6aR,6 bR,8aS,9aR,12aR,14bR)-4,4,6a,6 b,8a,14b-Hexamethyl-12-methyleneicosahydro-3H-phenanthro[1',2':6,7]indeno[2,1-b]furan-3,11(2H)-dione","","- C30 H44 O3 -","- C30 H44 O3 -","- C120 H176 O12 -","4","1","LH4023","Herrera-España, Angel D; Mena-Rejón, Gonzalo J; Hernández-Ortega, Simón; Quijano, Leovigildo; Mirón-López, Gumersindo","Crystal structure of ochraceolide A isolated from Elaeodendron trichotomum (Turcz.) Lundell.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1475","1478","10.1107/S2056989017012816","","","1.54178","CuKα","","0.0668","0.0608","","","0.1565","0.1639","","","","","","1.088","","","","has coordinates","245872","2020-10-21","18:00:00",""
"2311423","9.8815","0.0006","14.0448","0.0009","21.2332","0.0013","90","","99.924","0.002","90","","2902.7","0.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{O-Ethyl N-(4-nitrophenyl)thiocarbamato-κS}(tri-4-tolylphosphane-κP)gold(I)","","- C30 H30 Au N2 O3 P S -","- C30 H30 Au N2 O3 P S -","- C120 H120 Au4 N8 O12 P4 S4 -","4","1","HB7703","Kuan, Fong Sheen; Jotani, Mukesh M.; Tiekink, Edward R. T.","New monoclinic form of {O-Ethyl N-(4-nitro-phen-yl)thio-carbamato-κS}(tri-4-tolyl-phosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1465","1471","10.1107/S2056989017012865","","","0.71069","MoKα","","0.0429","0.0307","","","0.0724","0.078","","","","","","0.947","","","","has coordinates","245873","2020-10-21","18:00:00",""
"2311424","9.2545","0.0009","21.7246","0.0019","9.4531","0.0009","90","","94.763","0.009","90","","1894","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N-Dimethyl-[2-(2,2-diphenyl)-2-prop-2-ynyloxyacetoxy]ethylamine","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","BQ2403","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Kumar, S. Madan; Byrappa, Kullaiah; Glidewell, Christopher","Crystal structures of N,N-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yloxy)acet-oxy)ethyl-amine and N,N-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yl‒oxy)acet-oxy)ethyl-ammonium 2,4,6-tri-nitro-phenolate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1488","1492","10.1107/S2056989017012968","","","0.71073","MoKα","","0.1288","0.064","","","0.152","0.1945","","","","","","1.038","","","","has coordinates,has disorder","245874","2020-10-21","18:00:00",""
"2311425","7.5208","0.0003","8.3919","0.0003","22.2282","0.0007","85.099","0.003","84.294","0.003","75.117","0.003","1346.5","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N,N-Dimethyl-[2-(2,2-diphenyl)-2-prop-2-ynyloxy\ acetoxy]ethylammonium 2,4,6-trinitrophenolate","","- C27 H26 N4 O10 -","- C27 H26 N4 O10 -","- C54 H52 N8 O20 -","2","1","BQ2403","Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Kumar, S. Madan; Byrappa, Kullaiah; Glidewell, Christopher","Crystal structures of N,N-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yloxy)acet-oxy)ethyl-amine and N,N-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yl‒oxy)acet-oxy)ethyl-ammonium 2,4,6-tri-nitro-phenolate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1488","1492","10.1107/S2056989017012968","","","0.71073","MoKα","","0.0863","0.0529","","","0.1158","0.1359","","","","","","1.048","","","","has coordinates,has disorder","245874","2020-10-21","18:00:00",""
"2311426","7.4849","0.0002","16.2063","0.0004","20.0959","0.0007","90","","90","","90","","2437.68","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate","2-Methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate","","- C26 H25 N O8 -","- C26 H25 N O8 -","- C104 H100 N4 O32 -","4","1","ZS2388","Sivakumar, P.; Israel, S.; Chakkaravarthi, G.","Crystal structures of 2-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate and bis-[4-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate] penta-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1483","1487","10.1107/S2056989017012981","","","0.71073","MoKα","","0.1088","0.0526","","","0.104","0.1237","","","","","","1.013","","","","has coordinates","245875","2020-10-21","18:00:00",""
"2311427","7.5106","0.0002","10.0155","0.0003","18.5203","0.0005","75.646","0.002","88.438","0.002","86.344","0.002","1346.81","0.07","296","2","296","2","","","","","","","","4","P 1","P 1","1","Bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate","Bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate","","- C26 H30 N O10.5 -","- C26 H30 N O10.5 -","- C52 H60 N2 O21 -","2","2","ZS2388","Sivakumar, P.; Israel, S.; Chakkaravarthi, G.","Crystal structures of 2-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate and bis-[4-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate] penta-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1483","1487","10.1107/S2056989017012981","","","0.71073","MoKα","","0.0737","0.0436","","","0.106","0.1211","","","","","","1.023","","","","has coordinates","279947","2022-12-20","10:58:45",""
"2311428","8.726","0.0007","15.236","0.003","8.6642","0.0007","90","","98.046","0.008","90","","1140.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","α-Aminomethylidene-2,3-pentamethylenepyrido[2,3-d]pyrimidin-4-one","(E)-11-(Aminomethylene)-8,9,10,11-tetrahydropyrido[2',3':4,5]pyrimido[1,2-a]azepin-5(7H)-one","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","1","XU5905","Khodjaniyazov, Khamid U.; Makhmudov, Utkir S.; Turgunov, Kambarali K.; Elmuradov, Burkhon Z.","Unusual formation of (E)-11-(amino-methyl-ene)-8,9,10,11-tetra-hydro-pyrido[2',3':4,5]pyrimido[1,2-a]azepin-5(7H)-one and its crystal structure.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1497","1500","10.1107/S2056989017013093","","","1.54184","CuKα","","0.0865","0.0497","","","0.1154","0.1413","","","","","","1.038","","","","has coordinates","245876","2020-10-21","18:00:00",""
"2311429","22.5649","0.0016","12.6823","0.0009","14.9051","0.0011","90","","129.699","0.003","90","","3281.9","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","fipronil","5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethane)sulfinyl]-1H-pyrazole-3-carbonitrile","","- C12 H4 Cl2 F6 N4 O S -","- C12 H4 Cl2 F6 N4 O S -","- C96 H32 Cl16 F48 N32 O8 S8 -","8","1","","Park, Hyunjin; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of fipronil.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1472","1474","10.1107/S205698901701310X","","","0.71073","MoKα","","0.0796","0.0483","","","0.1055","0.1202","","","","","","1.032","","","","has coordinates,has disorder","245877","2020-10-21","18:00:00",""
"2311430","7.597","0.0007","11.6665","0.0012","7.6754","0.0008","90","","114.2","0.003","90","","620.49","0.11","295","","295","","","","","","","","","4","P 1 c 1","P -2yc","7","","4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C26 H28 N4 O4 -","2","1","SU5390","Fábry, Jan","4-Amino-benzoic acid 4-methyl-pyridine/4-methyl-pyridinium 4-amino-benzoate 0.58/0.42: a redetermination from the original data.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1508","1512","10.1107/S2056989017013226","","","0.71073","MoKα","","0.0712","0.0307","","","0.056","0.0668","","","","","","1.29","","","","has coordinates","245878","2020-10-21","18:00:00",""
"2311431","5.9168","0.0003","28.3733","0.0012","21.0782","0.0011","90","","97.836","0.005","90","","3505.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Benzhydryloxy)-1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidinium 3,5-dinitrobenzoate","","- C39 H43 N3 O8 -","- C39 H43 N3 O8 -","- C156 H172 N12 O32 -","4","1","SU5391","Shaibah, Mohammed A. E.; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Kumar, S. Madan; Glidewell, Christopher","Crystal structure of ebastinium 3,5-di-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1513","1516","10.1107/S205698901701324X","","","0.71073","MoKα","","0.1127","0.0651","","","0.1465","0.1794","","","","","","1.047","","","","has coordinates,has disorder","245879","2020-10-21","18:00:00",""
"2311432","8.2228","0.0009","18.1289","0.0019","9.945","0.001","90","","106.612","0.003","90","","1420.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-N-(piperidine-1-carbonothioyl)benzamide","","- C14 H18 N2 O2 S -","- C14 H18 N2 O2 S -","- C56 H72 N8 O8 S4 -","4","1","","Suhud, Khairi; Hasbullah, Siti Aishah; Ahmad, Musa; Heng, Lee Yook; Kassim, Mohammad B.","Crystal structure of 4-meth-oxy-N-(piperidine-1-carbono-thio-yl)benzamide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1530","1533","10.1107/S2056989017013317","","","0.71073","MoKα","","0.1009","0.0813","","","0.2239","0.2507","","","","","","1.027","","","","has coordinates","245880","2020-10-21","18:00:00",""
"2311433","3.9464","0.0002","11.5015","0.0005","19.297","0.0009","90","","90","","90","","875.88","0.07","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Di(thiophen-3-yl) ketone","Bis(thiophen-3-yl)methanone","","- C9 H6 O S2 -","- C9 H6 O S2 -","- C36 H24 O4 S8 -","4","0.5","QM2119","Hübscher, Jörg; Augustin, André U; Seichter, Wilhelm; Weber, Edwin","Crystal structure of a new polymorph of di(thio-phen-3-yl) ketone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1560","1562","10.1107/S2056989017013342","","","0.71073","MoKα","","0.0744","0.0472","","","0.1264","0.1608","","","","","","1.129","","","","has coordinates","245881","2020-10-21","18:00:00",""
"2311434","22.2362","0.0007","6.7922","0.0018","18.9098","0.0005","90","","103.989","0.003","90","","2771.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-2,6-Dibromo-4-{2-[1-(1H,1H,2H,2H-perfluorooctyl)pyridinium-4-yl]ethenyl}phenolate methanol disolvate","","- C23 H20 Br2 F13 N O3 -","- C23 H20 Br2 F13 N O3 -","- C92 H80 Br8 F52 N4 O12 -","4","1","LH5850","Fliri, Lukas; Partl, Gabriel; Gelbrich, Thomas; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","(E)-2,6-Di-bromo-4-{2-[1-(1H,1H,2H,2H-perfluoro-oct-yl)pyridinium-4-yl]ethen-yl}phenolate methanol disolvate, a fluoro-ponytailed solvatochromic dye.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1526","1529","10.1107/S2056989017013378","","","1.54184","CuKα","","0.0556","0.0401","","","0.0948","0.1059","","","","","","1.048","","","","has coordinates,has disorder","245882","2020-10-21","18:00:00",""
"2311435","11.42069","0.00019","7.23911","0.00012","21.699","0.0003","90","","103.154","0.0016","90","","1746.91","0.05","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Aqua[aqua/chlorido(0.49/0.51)](2-{[6-(dimethylamino)pyrimidin-4-yl]sulfanyl}pyrimidine-4,6-diamine)copper(II) 0.49-chloride 1.51-hydrate","","- C10 H19 Cl2 Cu N7 O3 S -","- C10 H19 Cl2 Cu N7 O3 S -","- C40 H76 Cl8 Cu4 N28 O12 S4 -","4","1","ZL2715","Moyaert, Tristen E.; Paul, Christina; Chen, Weibin; Sarjeant, Amy A.; Dawe, Louise N.","Aqua-chlorido-(2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine)-copper(II) chloride hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1534","1538","10.1107/S205698901701338X","","","1.54178","CuKα","","0.0386","0.0297","","","0.0742","0.079","","","","","","1.04","","","","has coordinates,has disorder","245883","2020-10-21","18:00:00",""
"2311436","9.899","0.0013","10.103","0.0016","28.961","0.006","90","","90","","90","","2896.4","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9α,11α-Epoxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-diacetate","","- C31 H48 O6 -","- C31 H48 O6 -","- C124 H192 O24 -","4","1","RZ5221","Piccialli, Vincenzo; Tuzi, Angela; Centore, Roberto","Crystal structure of an ep-oxy-sterol: 9α,11α-ep-oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di-acetate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1603","1606","10.1107/S2056989017013391","","","0.71073","MoKα","","0.1117","0.0577","","","0.1041","0.1212","","","","","","1.022","","","","has coordinates,has disorder","245884","2020-10-21","18:00:00",""
"2311437","7.9888","0.0003","12.7596","0.0006","13.2311","0.0005","111.037","0.001","104.075","0.001","99.628","0.002","1171.76","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","{[1'-(Diphenylphosphino)ferrocenyl]methyl}dimethylammonium chloride monohydrate","","- C25 H29 Cl Fe N O P -","- C25 H29 Cl Fe N O P -","- C50 H58 Cl2 Fe2 N2 O2 P2 -","2","1","IM2484","Zábranský, Martin; Štěpnička, Petr","Crystal structure of {[1'-(di-phenyl-phosphino)ferrocen-yl]meth-yl}di-methyl-ammonium chloride monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1539","1541","10.1107/S2056989017013408","","","0.71073","MoKα","","0.0331","0.0281","","","0.071","0.0735","","","","","","1.057","","","","has coordinates","245885","2020-10-21","18:00:00",""
"2311438","8.2456","0.001","13.7471","0.0017","9.6878","0.0012","90","","92.643","0.004","90","","1097","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethane","","- C6 H10 N8 S2 -","- C6 H10 N8 S2 -","- C24 H40 N32 S8 -","4","1","","Argibay-Otero, Saray; Gómez-Paz, Olaya; Carballo, Rosa","A monoclinic polymorph of 1,2-bis-[(1-methyl-1H-tetra-zol-5-yl)sulfan-yl]ethane (BMTTE).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1523","1525","10.1107/S205698901701341X","","","0.71073","MoKα","","0.0232","0.0222","","","0.0565","0.0569","","","","","","1.075","","","","has coordinates","245886","2020-10-21","18:00:00",""
"2311439","12.8997","0.0004","7.5361","0.0003","20.9747","0.0007","90","","102.99","0.0006","90","","1986.84","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[silver(I)-μ-N-(pyridin-3-ylmethyl)pyridine-3-amine-κ^2^N:N'] hexafluoridophosphate acetonitrile disolvate]","","- C15 H17 Ag F6 N5 P -","- C15 H17 Ag F6 N5 P -","- C60 H68 Ag4 F24 N20 P4 -","4","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","Crystal structure of an AgI inter-calation compound: catena-poly[[silver(I)-μ-N-(pyridin-3-ylmeth-yl)pyridin-3-amine-κ2N:N'] hexa-fluorido-phosphate aceto-nitrile disolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1542","1545","10.1107/S2056989017013421","","","0.71073","MoKα","","0.0431","0.0309","","","0.0707","0.0807","","","","","","1.096","","","","has coordinates,has disorder","245887","2020-10-21","18:00:00",""
"2311440","7.0528","0.0014","13.798","0.003","7.4792","0.0015","90","","93.02","0.03","90","","726.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium dihydrogen arsenate","","- As H2 Na O4 -","- As H2 Na O4 -","- As8 H16 Na8 O32 -","8","2","HB7706","Ring, Joseph; Lindenthal, Lorenz; Weil, Matthias; Stöger, Berthold","Crystal structure of sodium di-hydrogen arsenate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1520","1522","10.1107/S2056989017013470","","","0.71073","MoKα","","0.0571","0.0298","","","0.053","0.0588","","","","","","1.035","","","","has coordinates","245888","2020-10-21","18:00:00",""
"2311441","7.5235","0.0013","11.717","0.002","13.644","0.002","66.694","0.004","78.757","0.004","81.374","0.004","1079.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","fac-Tricarbonylchloridobis(4-hydroxypyridine)rhenium(I)‒\ pyridin-4(1H)-one (1/1)","","- C18 H15 Cl N3 O6 Re -","- C18 H15 Cl N3 O6 Re -","- C36 H30 Cl2 N6 O12 Re2 -","2","1","ZL2716","Argibay-Otero, Saray; Carballo, Rosa; Vázquez-López, Ezequiel M","Crystal structure of fac-tri-carbonyl-chlorido-bis-(4-hy-droxy-pyridine)-rhenium(I)-pyridin-4(1H)-one (1/1).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1551","1554","10.1107/S2056989017013512","","","0.71073","MoKα","","0.0303","0.0288","","","0.0755","0.0766","","","","","","1.347","","","","has coordinates","245889","2020-10-21","18:00:00",""
"2311442","11.9402","0.0007","3.7005","0.0002","21.7919","0.0013","90","","121.278","0.002","90","","822.92","0.08","120","1","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","bis(2-pyridone) chloranilic acid","Bis[pyridin-2(1H)-one] 2,5-dichloro-3,6-dihydroxy-1,4-bebzoquinone","","- C16 H12 Cl2 N2 O6 -","- C16 H12 Cl2 N2 O6 -","- C32 H24 Cl4 N4 O12 -","2","0.5","LH5855","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three hydrogen-bonded 1:2 compounds of chloranilic acid with 2-pyridone, 3-hy-droxy-pyridine and 4-hyroxypyridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1546","1550","10.1107/S2056989017013536","","","0.71075","MoKα","","0.0278","0.0271","","","0.0757","0.0763","","","","","","1.056","","","","has coordinates","245890","2020-10-21","18:00:00",""
"2311443","8.3659","0.0006","8.5492","0.0006","11.7087","0.0008","90","","106.968","0.003","90","","800.97","0.1","120","1","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-hyroxypyridinium) chloranilate","Bis(3-hyroxypyridinium) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate","","- C16 H12 Cl2 N2 O6 -","- C16 H12 Cl2 N2 O6 -","- C32 H24 Cl4 N4 O12 -","2","0.5","LH5855","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three hydrogen-bonded 1:2 compounds of chloranilic acid with 2-pyridone, 3-hy-droxy-pyridine and 4-hyroxypyridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1546","1550","10.1107/S2056989017013536","","","0.71075","MoKα","","0.0294","0.0275","","","0.0738","0.0751","","","","","","1.072","","","","has coordinates","245890","2020-10-21","18:00:00",""
"2311444","5.49136","0.00013","8.2195","0.0004","18.1382","0.0009","102.177","0.003","93.952","0.003","95.316","0.004","793.53","0.06","120","1","120","2","","","","","","","","5","P -1","-P 1","2","bis(4-hyroxypyridinium) chloranilate","Bis(4-hyroxypyridinium) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate","","- C16 H12 Cl2 N2 O6 -","- C16 H12 Cl2 N2 O6 -","- C32 H24 Cl4 N4 O12 -","2","1","LH5855","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of three hydrogen-bonded 1:2 compounds of chloranilic acid with 2-pyridone, 3-hy-droxy-pyridine and 4-hyroxypyridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1546","1550","10.1107/S2056989017013536","","","0.71075","MoKα","","0.0399","0.0304","","","0.077","0.0798","","","","","","1.071","","","","has coordinates","245890","2020-10-21","18:00:00",""
"2311445","8.34","0.002","10.657","0.002","9.197","0.002","90","","109.37","0.03","90","","771.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium indium bis(hydrogen arsenate)","Potassium indium bis[hydrogen arsenate(V)]","","- As2 H2 In K O8 -","- As2 H2 In K O8 -","- As8 H8 In4 K4 O32 -","4","0.5","PJ2047","Schwendtner, Karolina; Kolitsch, Uwe","MIn(HAsO4)2 (M = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1580","1586","10.1107/S205698901701355X","","","0.71073","MoKα","","0.0227","0.0194","","","0.0452","0.046","","","","","","1.094","","","","has coordinates","245891","2020-10-21","18:00:00",""
"2311446","8.512","0.001","8.512","0.001","56.434","0.011","90","","90","","120","","3541.1","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","rubidium indium bis(hydrogen arsenate)","Rubidium indium bis[hydrogen arsenate(V)]","","- As2 H2 In O8 Rb -","- As2 H2 In O8 Rb0.999733 -","- As36 H36 In18 O144 Rb17.9952 -","18","0.5","","Schwendtner, Karolina; Kolitsch, Uwe","MIn(HAsO4)2 (M = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1580","1586","10.1107/S205698901701355X","","","0.71073","MoKα","","0.0251","0.0184","","","0.039","0.041","","","","","","1.116","","","","has coordinates","245891","2020-10-21","18:00:00",""
"2311447","8.629","0.001","8.629","0.001","56.986","0.011","90","","90","","120","","3674.7","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","caesium indium bis(hydrogen arsenate)","Caesium indium bis[hydrogen arsenate(V)]","","- As2 Cs H2 In O8 -","- As2 Cs H2 In O8 -","- As36 Cs18 H36 In18 O144 -","18","0.5","","Schwendtner, Karolina; Kolitsch, Uwe","MIn(HAsO4)2 (M = K, Rb, Cs): three new hydrogen-arsenates adopting two different structure types.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1580","1586","10.1107/S205698901701355X","","","0.71073","MoKα","","0.0299","0.0217","","","0.0488","0.052","","","","","","1.073","","","","has coordinates","245891","2020-10-21","18:00:00",""
"2311448","8.2959","0.0003","10.3169","0.0004","27.7884","0.0009","92.969","0.001","98.241","0.001","109.62","0.001","2204.36","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Acetonitrile-κN)aqua[N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine-κ^4^N,N',N'',N''']zinc(II) perchlorate","","- C16 H23 Cl2 N5 O9 Zn -","- C16 H23 Cl2 N5 O9 Zn -","- C64 H92 Cl8 N20 O36 Zn4 -","4","2","IM2479","Okeke, Ugochukwu; Gultneh, Yilma; Butcher, Ray J.","(Aceto-nitrile-κN)aqua-[N,N'-bis-(pyridin-2-yl-methyl)ethane-1,2-di-amine-κ4N,N',N'',N''']zinc(II) perchlorate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1568","1571","10.1107/S2056989017013603","","","0.71073","MoKα","","0.0535","0.0415","","","0.1022","0.1073","","","","","","1.053","","","","has coordinates,has disorder","245892","2020-10-21","18:00:00",""
"2311449","11.0838","0.0004","18.0949","0.0007","10.661","0.0004","90","","101.474","0.002","90","","2095.44","0.14","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ~2~-Chlorido-dichlorido(μ~2~-2-{[2-(dimethylamino)ethyl]iminomethyl}phenolato)(N,N-dimethylethylenediamine)dicopper(II) 0.11-hydrate","","- C15 H27.22 Cl3 Cu2 N4 O1.11 -","- C15 H27 Cl3 Cu2 N4 O1.108 -","- C60 H108 Cl12 Cu8 N16 O4.432 -","4","1","WM5417","Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; de Carvalho, Marcos Alberto; Rodrigues Goulart Bergamini, Fernando; Corbi, Pedro Paulo","N,N',N'' versus N,N',O imine-containing coordination motifs: ligand-directed synthesis of mononuclear and binuclear CuII compounds.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1563","1567","10.1107/S2056989017013652","","","1.54178","CuKα","","0.0256","0.022","","","0.0545","0.0562","","","","","","1.03","","","","has coordinates","245893","2020-10-21","18:00:00",""
"2311450","6.9667","0.0005","24.735","0.002","7.9294","0.0006","90","","103.693","0.004","90","","1327.57","0.18","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido[N,N-dimethyl-N'-(pyridin-2-ylmethylidene)ethane-1,2-diamine]copper(II) monohydrate","","- C10 H17 Cl2 Cu N3 O -","- C10 H17 Cl2 Cu N3 O -","- C40 H68 Cl8 Cu4 N12 O4 -","4","1","WM5417","Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; de Carvalho, Marcos Alberto; Rodrigues Goulart Bergamini, Fernando; Corbi, Pedro Paulo","N,N',N'' versus N,N',O imine-containing coordination motifs: ligand-directed synthesis of mononuclear and binuclear CuII compounds.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1563","1567","10.1107/S2056989017013652","","","1.54178","CuKα","","0.0418","0.0399","","","0.1067","0.1082","","","","","","1.101","","","","has coordinates","245893","2020-10-21","18:00:00",""
"2311451","10.1437","0.0008","10.1437","0.0008","21.4664","0.0015","90","","90","","90","","2208.8","0.3","296","2","296.15","","","","","","","","","6","P 43","P 4cw","78","","Poly[diaquabis(μ~5~-benzene-1,3-dicarboxylato)(N,N-dimethylformamide)cadmium(II)disodium(I)]","","- C19 H19 Cd N Na2 O11 -","- C19 H19 Cd N Na2 O11 -","- C76 H76 Cd4 N4 Na8 O44 -","4","1","PJ2046","Sangsawang, Matimon; Chainok, Kittipong; Wannarit, Nanthawat","Crystal structure of poly[di-aqua-bis-(μ5-benzene-1,3-di-carboxyl-ato)(N,N-di-methyl-formamide)-cadmium(II)disodium(I)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1599","1602","10.1107/S2056989017013871","","","0.71073","MoKα","","0.0321","0.0277","","","0.0661","0.0677","","","","","","1.031","","","","has coordinates,has disorder","245894","2020-10-21","18:00:00",""
"2311452","22.432","0.003","8.1656","0.0012","15.036","0.002","90","","98.636","0.003","90","","2722.9","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[silver(I)-μ~3~-bis(pyridin-3-ylmethyl)sulfane-κ^3^N:N':S] nitrate]","","- C12 H12 Ag N3 O3 S -","- C12 H12 Ag N3 O3 S -","- C96 H96 Ag8 N24 O24 S8 -","8","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","Crystal structure of a twisted-ribbon type double-stranded AgI coordination polymer: catena-poly[[silver(I)-μ3-bis-(pyridin-3-ylmeth-yl)sulfane-κ3N:N':S] nitrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1587","1589","10.1107/S2056989017013925","","","0.71073","MoKα","","0.0811","0.0436","","","0.0935","0.1087","","","","","","0.972","","","","has coordinates,has disorder","245895","2020-10-21","18:00:00",""
"2311453","7.1755","0.0005","10.7013","0.0008","16.2586","0.0011","86.072","0.003","78.868","0.002","73.222","0.003","1172.71","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(E)-7-[(4-Nitrophenyl)diazenyl]-3a-(p-tolyl)-2,3,3a,4-tetrahydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-1-one 0.58-dimethyl sulfoxide 0.42-acetonitrile solvate","","- C25 H23.75 N5.41 O3.59 S0.59 -","- C25 H23.755 N5.415 O3.585 S0.585 -","- C50 H47.51 N10.83 O7.17 S1.17 -","2","1","YK2109","Grinev, Vyacheslav S.; Babkina, Natalya V.; Yegorova, Alevtina Yu","(E)-7-[(4-Nitro-phen-yl)diazen-yl]-3a-(p-tol-yl)-2,3,3a,4-tetra-hydro-1H-benzo[d]pyrrolo-[1,2-a]imidazol-1-one 0.58-dimethyl sulfoxide 0.42-aceto-nitrile solvate: crystal structure, Hirshfeld analysis and DFT estimation of the energy of inter-molecular inter-actions.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1590","1594","10.1107/S2056989017013937","","","0.71073","MoKα","","0.0716","0.0495","","","0.121","0.1344","","","","","","1.002","","","","has coordinates,has disorder","245896","2020-10-21","18:00:00",""
"2311454","8.1346","0.0003","8.2092","0.0003","17.234","0.0006","92.4728","0.0012","91.3245","0.0013","107.041","0.0012","1098.54","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Bis(2-amino-4-methoxy-6-methylpyrimidinium) isophthalate","Bis(2-amino-4-methoxy-6-methylpyrimidinium) benzene-1,3-dicarboxylate","","- C20 H24 N6 O6 -","- C20 H24 N6 O6 -","- C40 H48 N12 O12 -","2","1","ZS2389","Jeevaraj, Muthaiah; Sivajeyanthi, Palaniyappan; Edison, Bellarmin; Thanigaimani, Kaliyaperumal; Balasubramani, Kasthuri; Razak, Ibrahim Abdul","Supra-molecular patterns and Hirshfeld surface analysis in the crystal structure of bis-(2-amino-4-meth-oxy-6-methyl-pyrimidinium) isophthalate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1595","1598","10.1107/S2056989017013950","","","0.71073","MoKα","","0.0666","0.0471","","","0.129","0.1506","","","","","","1.093","","","","has coordinates","245897","2020-10-21","18:00:00",""
"2311455","7.942","0.002","9.453","0.003","10.226","0.002","67.706","0.015","72.228","0.016","86.41","0.02","675.2","0.3","93","","93","","","","","","","","","3","P -1","-P 1","2","","Diethyl 2-(3-oxo-1,3-dihydro-2-benzofuran-1-ylidene)propanedioate","","- C15 H14 O6 -","- C15 H14 O6 -","- C30 H28 O12 -","2","1","HB7700","Tyumentsev, Mikhail S.; Foreman, Mark R StJ; Steenari, Britt-Marie; Slawin, Alexandra M. Z.","Crystal structure and identification of resonance forms of diethyl 2-(3-oxoiso-1,3-di-hydro-benzo-furan-1-yl-idene)malonate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1576","1579","10.1107/S2056989017013962","","","0.71075","MoKα","","0.0297","0.0279","","","0.0762","0.0776","","","","","","1.072","","","","has coordinates","245898","2020-10-21","18:00:00",""
"2311456","8.5797","0.0007","14.745","0.0013","16.772","0.0014","90","","90","","90","","2121.8","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","3',8-Dibenzylidene-4a,5,6,7,8,8a-hexahydro-2'H-spiro[chromene-2,1'-cyclohexan]-2'-one","","- C28 H28 O2 -","- C28 H28 O2 -","- C112 H112 O8 -","4","1","RK2438","Anis'kov, Alexander; Grinev, Vyacheslav; Klochkova, Irina","Crystal structure and features of 3',8-di-benzyl-idene-4a,5,6,7,8,8a-hexa-hydro-2'H-spiro-[chromene-2,1'-cyclo-hexa-n]-2'-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1622","1625","10.1107/S2056989017014165","","","0.71073","MoKα","","0.0763","0.0557","","","0.1196","0.1319","","","","","","1.047","","","","has coordinates","245899","2020-10-21","18:00:00",""
"2311457","21.292","0.003","10.1837","0.0012","24.867","0.004","90","","102.668","0.005","90","","5260.7","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetato-κO){5,6-dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-\ 1H-benzimidazole-κ^2^N^2^,N^3^}copper(II) acetonitrile monosolvate","","- C26 H27 Cu N5 O4 -","- C26 H27 Cu N5 O4 -","- C208 H216 Cu8 N40 O32 -","8","1","ZL2717","Geiger, David K.; DeStefano, Matthew R.; Lewis, Robert A.","Structural characterization of two solvates of a luminescent copper(II) bis-(pyridine)-substituted benzimidazole complex.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1616","1621","10.1107/S2056989017014232","","","0.71073","MoKα","","0.0809","0.0594","","","0.1617","0.1778","","","","","","1.016","","","","has coordinates","245900","2020-10-21","18:00:00",""
"2311458","11.2595","0.0011","14.013","0.0015","16.5004","0.0018","81.873","0.004","77.126","0.004","80.348","0.004","2487.4","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κO){5,6-dimethyl-2-(pyridin-2-yl)-1-[pyridin-2-yl)methyl]-\ 1H-benzimidazole-κ^2^N^2^,N^3^}copper(II) ethanol hemisolvate","","- C50 H54 Cu2 N8 O9 -","- C50 H54 Cu2 N8 O9 -","- C100 H108 Cu4 N16 O18 -","2","1","","Geiger, David K.; DeStefano, Matthew R.; Lewis, Robert A.","Structural characterization of two solvates of a luminescent copper(II) bis-(pyridine)-substituted benzimidazole complex.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1616","1621","10.1107/S2056989017014232","","","0.71073","MoKα","","0.0681","0.0447","","","0.1098","0.1213","","","","","","1.036","","","","has coordinates,has disorder","245900","2020-10-21","18:00:00",""
"2311459","14.2201","0.0012","9.9787","0.0007","19.4205","0.0013","90","","90.2","0.002","90","","2755.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-iodido-bis({2-[(benzylamino-κN)methyl]phenyl-κC^1^}palladium(II))","","- C28 H28 I2 N2 Pd2 -","- C28 H28 I2 N2 Pd2 -","- C112 H112 I8 N8 Pd8 -","4","1","WM5411","Bautista, Delia; Benitez-Benitez, Sergio J","Synthesis and crystal structure of [Pd{C6H4(CH2NHCH2Ph)-2-κ2C,N}(μ-I)]2.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1612","1615","10.1107/S2056989017014281","","","0.71073","MoKα","","0.0366","0.031","","","0.0796","0.0836","","","","","","1.028","","","","has coordinates","245901","2020-10-21","18:00:00",""
"2311460","9.0982","0.0002","9.9556","0.0003","10.5071","0.0003","66.772","0.001","74.572","0.001","77.706","0.001","836.76","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Z)-2-[(Z)-3-Methyl-2-({(E)-1-[(R*)-4-methylcyclohex-3-en-1-yl]ethylidene}hydrazinylidene)-4-oxothiazolidin-5-ylidene]acetate","","- C16 H21 N3 O3 S -","- C16 H21 N3 O3 S -","- C32 H42 N6 O6 S2 -","2","1","","Fawzi, Mourad; Auhmani, Aziz; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Ketatni, El Mostafa","Crystal structure of methyl (Z)-2-[(Z)-3-methyl-2-({(E)-1-[(R*)-4-methyl-cyclo-hex-3-en-1-yl]ethyl-idene}hydrazinyl-idene)-4-oxo-thia-zolidin-5-yl-idene]acetate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1626","1629","10.1107/S2056989017014311","","","1.54178","CuKα","","0.0397","0.0376","","","0.1","0.1017","","","","","","1.06","","","","has coordinates","245902","2020-10-21","18:00:00",""
"2311461","33.6032","0.0008","6.0235","0.0001","28.0229","0.0007","90","","121.007","0.001","90","","4861.57","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ammonium hexamethylenetetraminium bis(2-chloro-4-nitro-benzoate)","","- C20 H23 Cl2 N7 O8 -","- C20 H23 Cl2 N7 O8 -","- C160 H184 Cl16 N56 O64 -","8","1","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0604","0.0385","","","0.084","0.0926","","","","","","0.951","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311462","8.2777","0.0002","19.7942","0.0005","13.5331","0.0004","90","","90","","90","","2217.4","0.1","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Hexamethylenetetraminium hydrogen bis(2-chloro-4-nitro-benzoate)","","- C20 H20 Cl2 N6 O8 -","- C20 H20 Cl2 N6 O8 -","- C80 H80 Cl8 N24 O32 -","4","0.5","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0389","0.0305","","","0.0796","0.0841","","","","","","1.057","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311463","5.9049","0.0001","21.933","0.0004","12.0194","0.0002","90","","103.445","0.001","90","","1514","0.05","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Hexamethylenetetraminium 2-chloro-4-nitro-benzoate","","- C13 H16 Cl N5 O4 -","- C13 H16 Cl N5 O4 -","- C52 H64 Cl4 N20 O16 -","4","1","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0269","0.0256","","","0.0651","0.0659","","","","","","1.067","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311464","12.0663","0.0002","19.5741","0.0004","6.6473","0.0001","90","","105.82","0.001","90","","1510.54","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexamethylenetetraminium 2-chloro-4-nitro-benzoate","","- C13 H16 Cl N5 O4 -","- C13 H16 Cl N5 O4 -","- C52 H64 Cl4 N20 O16 -","4","1","","Lemmerer, Andreas; Motlaung, Xolani","Stoichiometric and polymorphic salts of hexa-methyl-ene-tetra-minium and 2-chloro-4-nitro-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1630","1635","10.1107/S2056989017014359","","","0.71073","MoKα","","0.0478","0.0392","","","0.1045","0.1093","","","","","","1.052","","","","has coordinates","245903","2020-10-21","18:00:00",""
"2311465","9.3594","0.0007","10.1143","0.0007","15.807","0.0012","106.704","0.005","92.432","0.007","106.777","0.005","1359.31","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(E)-N'-(3-Cyanobenzylidene)-N-methyl-2-(thiophen-2-yl)acetohydrazide","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C60 H52 N12 O4 S4 -","4","2","VM2205","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Crystal structures and Hirshfeld surfaces of differently substituted (E)-N'-benzyl-idene-N-methyl-2-(thio-phen-2-yl)acetohydrazides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1636","1641","10.1107/S2056989017014384","","","0.71075","MoKα","","0.0477","0.0384","","","0.0989","0.1037","","","","","","1.043","","","","has coordinates","245904","2020-10-21","18:00:00",""
"2311466","7.2148","0.0005","8.8307","0.0005","24.112","0.0017","80.025","0.006","87.601","0.007","76.097","0.006","1468.67","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(E)-N'-(4-Methoxybenzylidene)-N-methyl-2-(thiophen-2-yl)acetohydrazide","","- C15 H16 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","2","VM2205","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Crystal structures and Hirshfeld surfaces of differently substituted (E)-N'-benzyl-idene-N-methyl-2-(thio-phen-2-yl)acetohydrazides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1636","1641","10.1107/S2056989017014384","","","0.71073","MoKα","","0.0516","0.0443","","","0.1216","0.1266","","","","","","1.059","","","","has coordinates,has disorder","245904","2020-10-21","18:00:00",""
"2311467","22.418","0.005","11.501","0.002","25.094","0.005","90","","105.5","0.03","90","","6235","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4,4'-Bipyridyl-κN)bis[N-(2-hydroxyethyl)-N-isopropyldithiocarbamato-κ^2^S,S']zinc(II)‒4,4'-bipyridyl (2/1)","","- C27 H36 N5 O2 S4 Zn -","- C27 H36 N5 O2 S4 Zn -","- C216 H288 N40 O16 S32 Zn8 -","8","1","HB7712","Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of (4,4'-bipyridyl-κN)bis-[N-(2-hydroxy-ethyl)-N-iso-propyl-dithio-carbamato-κ2S,S']zinc(II)-4,4'-bipyridyl (2/1) and its isostructural cadmium(II) analogue.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1642","1646","10.1107/S2056989017014396","","","0.71073","MoKα","","0.0773","0.0409","","","0.0812","0.0964","","","","","","0.996","","","","has coordinates","245905","2020-10-21","18:00:00",""
"2311468","22.7028","0.0012","11.595","0.0006","24.8196","0.0013","90","","103.385","0.001","90","","6356","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4,4'-Bipyridyl-κN)bis(N-2-hydroxyethyl-N-isopropyldithiocarbamato-κ^2^S,S')cadmium(II)‒4,4'-bipyridyl (2/1)","","- C27 H36 Cd N5 O2 S4 -","- C27 H36 Cd N5 O2 S4 -","- C216 H288 Cd8 N40 O16 S32 -","8","1","HB7712","Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of (4,4'-bipyridyl-κN)bis-[N-(2-hydroxy-ethyl)-N-iso-propyl-dithio-carbamato-κ2S,S']zinc(II)-4,4'-bipyridyl (2/1) and its isostructural cadmium(II) analogue.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1642","1646","10.1107/S2056989017014396","","","0.71073","MoKα","","0.0217","0.0186","","","0.0474","0.0492","","","","","","0.993","","","","has coordinates","245905","2020-10-21","18:00:00",""
"2311469","21.802","0.015","4.597","0.003","12.742","0.009","90","","97.598","0.011","90","","1265.8","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzyl(benzylidene)azane oxide peroxosolvate","(Z)-N-Benzylidene-1-phenylmethanamine oxide hydrogen peroxide monosolvate","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","ZS2391","Churakov, Andrei V.; Prikhodchenko, Petr V.; Medvedev, Alexander G.; Mikhaylov, Alexey A.","Crystal structure of (Z)-N-benzyl-idene-1-phenyl-methanamine oxide hydrogen peroxide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1666","1669","10.1107/S2056989017014499","","","0.71073","MoKα","","0.1624","0.0766","","","0.1867","0.2182","","","","","","1.046","","","","has coordinates","245906","2020-10-21","18:00:00",""
"2311470","14.5323","0.0004","23.3731","0.0006","19.1883","0.0004","90","","93.653","0.001","90","","6504.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ~2~-Bis(diphenylphosphanyl)hexane]bis[undecacarbonyl-triangulo-triruthenium(3 Ru—Ru)] hexane monosolvate","","- C58 H46 O22 P2 Ru6 -","- C58 H46 O22 P2 Ru6 -","- C232 H184 O88 P8 Ru24 -","4","1","HB7713","Shawkataly, Omar Bin; Sirat, Siti Syaida; Jotani, Mukesh M.; Tiekink, Edward R. T.","[μ2-Bis(di-phenyl-phosphan-yl)hexa-ne]bis-[undeca-carbonyl-triangulo-triruthenium(3 Ru-Ru)] hexane monosolvate: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1652","1657","10.1107/S2056989017014517","","","0.71073","MoKα","","0.0679","0.0431","","","0.0862","0.0969","","","","","","1.014","","","","has coordinates,has disorder","245907","2020-10-21","18:00:00",""
"2311471","7.475","0.0007","7.7067","0.0006","14.6585","0.0009","104.696","0.006","92.637","0.006","94.548","0.007","812.33","0.11","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C40 H44 N4 O4 -","2","2","DX2001","Yahyazadeh, Mahdi; Jerz, Gerold; Selmar, Dirk; Winterhalter, Peter; Jones, Peter G.","Crystal structure of akuammicine, an indole alkaloid from Catharanthus roseus.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1658","1661","10.1107/S2056989017014529","","","1.54184","CuKα","","0.0465","0.0408","","","0.0957","0.1008","","","","","","1.04","","","","has coordinates","245908","2020-10-21","18:00:00",""
"2311472","6.1368","0.0004","13.9799","0.0009","11.4609","0.0007","90","","100.193","0.002","90","","967.73","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Benzothiazol-2-yl)thiophene","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C44 H28 N4 S8 -","4","1","TX2001","Nguyen Ngoc, Linh; Vu Quoc, Trung; Duong Quoc, Hoan; Vu Quoc, Manh; Truong Minh, Luong; Thang Pham, Chien; Van Meervelt, Luc","Green synthesis and crystal structure of 3-(benzo-thia-zol-2-yl)thio-phene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1647","1651","10.1107/S2056989017014530","","","0.71073","MoKα","","0.0788","0.0762","","","0.1702","0.1715","","","","","","1.222","","","","has coordinates,has disorder","245909","2020-10-21","18:00:00",""
"2311473","15.7473","0.0014","7.3042","0.0005","22.7257","0.0019","90","","90","","90","","2613.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-{(1E)-[(4-Hydroxyphenyl)iminio]methyl}naphthalen-2-olate","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","EX2001","Devika, Bhai R.; Girija, C. R.; Shalini, Suresh; Jotani, Mukesh M.; Tiekink, Edward R. T.","Zwitterionic 1-{(1E)-[(4-hy-droxy-phen-yl)iminio]meth-yl}naphthalen-2-olate: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1674","1678","10.1107/S205698901701458X","","","0.71073","MoKα","","0.0704","0.0407","","","0.0968","0.115","","","","","","1.043","","","","has coordinates","245910","2020-10-21","18:00:00",""
"2311474","10.319","0.0003","20.6009","0.0007","15.8756","0.0005","90","","91.64","0.003","90","","3373.46","0.18","100","1","100","1","","","","","","","","4","I 1 a 1","I -2ya","9","4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman","4-(1,3,3-Trimethyl-2,3-dihydro-1H-4-thiaphenanthren-1-yl)phenol","","- C22 H22 O S -","- C22 H22 O S -","- C176 H176 O8 S8 -","8","2","HB7711","Frampton, Christopher S.; McKendrick, Joseph J.; MacNicol, David D.","4-(4-Hy-droxy-phenyl)-2,2,4-trimethyl-7,8-benzo-thia-chroman, a fused-ring counterpart of thia-Dianin's compound.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1662","1665","10.1107/S2056989017014608","","","1.54184","CuKα","","0.0386","0.0369","","","0.102","0.103","","","","","","1.019","","","","has coordinates","245911","2020-10-21","18:00:00",""
"2311475","9.8233","0.0009","12.4719","0.0012","16.4432","0.0016","90","","100.184","0.007","90","","1982.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua(1H-imidazole-κN^3^)(nitrato-κ^2^O,O')bis(4-oxopent-2-en-2-olato-κ^2^O,O')lanthanum(III)","","- C13 H22 La N3 O9 -","- C13 H22 La N3 O9 -","- C52 H88 La4 N12 O36 -","4","1","VN2131","Koizumi, Atsuya; Hasegawa, Takuya; Itadani, Atsushi; Toda, Kenji; Zhu, Taoyun; Sato, Mineo","A new lanthanum(III) complex containing acetyl-acetone and 1H-imidazole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1739","1742","10.1107/S205698901701461X","","","0.71073","MoKα","","0.0173","0.016","","","0.0396","0.0402","","","","","","1.069","","","","has coordinates","245912","2020-10-21","18:00:00",""
"2311476","6.2464","0.0003","13.5674","0.0006","17.4584","0.0008","90","","100.128","0.001","90","","1456.5","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1R,5S)-endo-(8-Methyl-8-azoniabicyclo[3.2.1]oct-\ 3-yl)ammonium aquatrichloridonitratocopper(II)","","- C8 H20 Cl3 Cu N3 O4 -","- C8 H20 Cl3 Cu N3 O4 -","- C32 H80 Cl12 Cu4 N12 O16 -","4","1","CQ2021","Britvin, Sergey N.; Rumyantsev, Andrey M.","Crystal structure of (1R,5S)-endo-(8-methyl-8-azoniabi-cyclo-[3.2.1]oct-3-yl)ammonium aqua-tri-chlorido-nitratocopper(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1712","1715","10.1107/S2056989017014633","","","0.71073","MoKα","","0.0189","0.0179","","","0.0487","0.0492","","","","","","1.052","","","","has coordinates","245913","2020-10-21","18:00:00",""
"2311477","8.3515","0.0009","10.5778","0.0009","13.673","0.001","107.609","0.007","98.954","0.008","106.505","0.008","1064.57","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-4-Methyl-N-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide N,N-dimethylformamide monosolvate","","- C19 H23 N5 O6 S -","- C19 H23 N5 O6 S -","- C38 H46 N10 O12 S2 -","2","1","RZ5222","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structure of (E)-4-methyl-N-{2-[2-(4-nitro-benzyl-idene)hydrazin-1-yl]-2-oxoeth-yl}benzene-sulfonamide N,N-di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1683","1686","10.1107/S2056989017014669","","","0.71073","MoKα","","0.0495","0.0389","","","0.1014","0.1079","","","","","","1.038","","","","has coordinates","245914","2020-10-21","18:00:00",""
"2311478","16.08","0.002","7.9997","0.0012","14.308","0.002","90","","114.094","0.002","90","","1680.2","0.4","125","2","125","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,4,6-Trimethylbenzoic anhydride","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","0.5","HB7710","Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.","Crystal structure of 2,4,6-tri-methyl-benzoic anhydride.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1735","1738","10.1107/S2056989017014670","","","0.71073","MoKα","","0.042","0.0373","","","0.1026","0.1069","","","","","","1.052","","","","has coordinates","245915","2020-10-21","18:00:00",""
"2311479","9.51872","0.00015","10.88545","0.00017","27.8353","0.0005","90","","93.8563","0.0015","90","","2877.64","0.08","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2,6-Bis[(dimethylamino)methyl]phenyl-κ^3^N,C^1^,N'}\ [bromido/chlorido(0.30/0.70)]mercury(II)‒{2,6-bis[(dimethylamino)methyl]phenyl- κ^3^N,C^1^,N'}[bromido/chlorido(0.24/0.76)]mercury(II) (1/1)","","- C24 H38 Br0.54 Cl1.46 Hg2 N4 -","- C24 H38 Br0.538 Cl1.462 Hg2 N4 -","- C96 H152 Br2.152 Cl5.848 Hg8 N16 -","4","1","HG5496","Gupta, Anand; Singh, Harkesh B.; Butcher, Ray J.","Crystal structure of {2,6-bis-[(di-methyl-amino)-meth-yl]phenyl-κ3N,C1,N'}(bromido/chlorido)-mercury(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1679","1682","10.1107/S2056989017014682","","","1.54184","CuKα","","0.0388","0.0326","","","0.0711","0.0747","","","","","","1.056","","","","has coordinates,has disorder","245916","2020-10-21","18:00:00",""
"2311480","7.4829","0.0004","16.8867","0.0008","24.2649","0.0013","90","","98.18","0.003","90","","3035","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua(perchlorato)bis[μ-(E)-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato-κ^4^N,N',O:O]dicopper(II) perchlorate","","- C28 H28 Cl2 Cu2 N4 O11 -","- C28 H28 Cl2 Cu2 N4 O11 -","- C112 H112 Cl8 Cu8 N16 O44 -","4","1","HG5497","Okeke, Ugochukwu; Gultneh, Yilma; Butcher, Ray J.","Crystal structure of aqua-(perchlorato)bis-[μ-(E)-2-({[2-(pyridin-2-yl)eth-yl]imino}-meth-yl)phenolato-κ4N,N',O:O]dicopper(II) perchlorate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1708","1711","10.1107/S2056989017014694","","","0.71073","MoKα","","0.0524","0.0361","","","0.0773","0.084","","","","","","1.023","","","","has coordinates,has disorder","245917","2020-10-21","18:00:00",""
"2311481","8.216","0.0011","9.8605","0.0013","10.741","0.0014","95.999","0.002","90.181","0.002","113.774","0.002","790.99","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Dihydroxy-2-propoxyanthraquinone acetonitrile monosolvate","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C38 H34 N2 O10 -","2","1","PK2605","Bosch, Eric; McClain, Emily N.","Synthesis and crystal structures of two purpurin derivatives: 1,4-dihy-droxy-2-propoxyanthra-quinone and 2-but-oxy-1,4-di-hydroxy-anthra-quinone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1687","1691","10.1107/S2056989017014724","","","0.71073","MoKα","","0.0649","0.0517","","","0.14","0.153","","","","","","1.058","","","","has coordinates","245918","2020-10-21","18:00:00",""
"2311482","4.773","0.0009","44.272","0.008","13.807","0.003","90","","95.164","0.002","90","","2905.7","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Butoxy-1,4-dihydroxyanthraquinone","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","2","PK2605","Bosch, Eric; McClain, Emily N.","Synthesis and crystal structures of two purpurin derivatives: 1,4-dihy-droxy-2-propoxyanthra-quinone and 2-but-oxy-1,4-di-hydroxy-anthra-quinone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1687","1691","10.1107/S2056989017014724","","","0.71073","MoKα","","0.1202","0.0626","","","0.1419","0.1657","","","","","","1.04","","","","has coordinates","245918","2020-10-21","18:00:00",""
"2311483","5.1962","0.0001","10.7814","0.0003","24.0067","0.0006","90","","90.256","0.002","90","","1344.9","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzyl-1-(4-nitrophenyl)-1H-1,2,3-triazole","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C60 H48 N16 O8 -","4","1","HG5498","Zukerman-Schpector, Julio; Dallasta Pedroso, Sofia; Sousa Madureira, Lucas; Weber Paixão, Márcio; Ali, Akbar; Tiekink, Edward R. T.","4-Benzyl-1-(4-nitro-phen-yl)-1H-1,2,3-triazole: crystal structure and Hirshfeld analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1716","1720","10.1107/S2056989017014748","","","0.71073","MoKα","","0.053","0.0397","","","0.0964","0.1057","","","","","","1.059","","","","has coordinates","245919","2020-10-21","18:00:00",""
"2311484","10.455","0.0013","17.662","0.002","7.9653","0.001","90","","108.16","0.003","90","","1397.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[bis(nitrato-κ^2^O,O')cobalt(II)]-μ-N-(pyridin-2-ylmethyl)pyridine-3-amine-κ^3^N,N':N'']","","- C11 H11 Co N5 O6 -","- C11 H11 Co N5 O6 -","- C44 H44 Co4 N20 O24 -","4","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","Crystal structure of a CoII coordination polymer with a dipyridyl ligand: catena-poly[[bis-(nitrato-κ2O,O')cobalt(II)]-μ-N-(pyridin-2-ylmeth-yl)pyridine-3-amine-κ3N,N':N''].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1696","1699","10.1107/S205698901701475X","","","0.71073","MoKα","","0.088","0.0405","","","0.0736","0.0868","","","","","","0.962","","","","has coordinates","245920","2020-10-21","18:00:00",""
"2311485","9.4","0.02","10.3","0.02","12.81","0.03","92.05","0.06","99.67","0.07","114.3","0.06","1107","4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","Poly[tetra-μ-cyanido-ethanolbis(2-iodopyrazine)digold(I)iron(II)]","","- C14 H12 Au2 Fe I2 N8 O -","- C14 H12 Au2 Fe I2 N8 O -","- C28 H24 Au4 Fe2 I4 N16 O2 -","2","1","XU5907","Fei, Bin; Kucheriv, Olesia I.; Tokmenko, Inna I.; Terebilenko, Kateryna V.; Gural'skiy, Il'ya A.","Crystal structure of poly[tetra-μ-cyanido-ethanol-bis(2-iodo-pyrazine)-digold(I)iron(II)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1755","1758","10.1107/S2056989017014785","","","0.71073","MoKα","","0.0484","0.0384","","","0.0746","0.0773","","","","","","0.923","","","","has coordinates","245921","2020-10-21","18:00:00",""
"2311486","9.366","0.005","15.203","0.005","23.07","0.005","90","","90","","90","","3285","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(4-4'-diammonio-diphenyl)sulfone tetra(nitrate) monohydrate","Bis[bis(4-azaniumylphenyl) sulfone] tetranitrate monohydrate","","- C12 H15 N8 O8.5 S -","- C12 H15 N4 O8.5 S -","- C96 H120 N32 O68 S8 -","8","2","ZS2390","Benahsene, Amani Hind; Bendjeddou, Lamia; Merazig, Hocine","Crystal structure of bis[bis(4-azaniumylphenyl) sulfone] tetranitrate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1721","1725","10.1107/S2056989017014803","","","0.71073","MoKα","","0.1241","0.0632","","","0.1613","0.2008","","","","","","0.979","","","","has coordinates","279947","2022-12-20","10:58:45",""
"2311487","8.8963","0.0008","9.4701","0.0009","9.5839","0.0009","115.356","0.003","106.876","0.003","94.119","0.003","680.03","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","VII","3,5-Dibromo-4-cyanobenzoic acid‒anthracene (2/1)","","- C15 H8 Br2 N O2 -","- C15 H8 Br2 N O2 -","- C30 H16 Br4 N2 O4 -","2","1","LH5854","Noland, Wayland E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J.","A 2:1 co-crystal of 3,5-di-bromo-4-cyano-benzoic acid and anthracene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1743","1746","10.1107/S2056989017014815","","","1.54178","CuKα","","0.0277","0.0264","","","0.0668","0.0681","","","","","","1.055","","","","has coordinates","245923","2020-10-21","18:00:00",""
"2311488","26.404","0.005","7.9303","0.0016","30.72","0.006","90","","95.09","0.03","90","","6407","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3RS,3aSR,8RS,8aRS)-Methyl 5,6-dimethoxy-3a,10-dimethyl-1-phenyl-3,3a,8,8a-tetrahydro-3,8-(epiminomethano)cyclopenta[a]indene-2-carboxylate","","- C25 H27 N O4 -","- C25 H27 N O4 -","- C300 H324 N12 O48 -","12","3","YK2110","Anh, Le Tuan; Titov, Alexander A.; Kobzev, Maxim S.; Voskressensky, Leonid G.; Varlamov, Alexey V.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Unusual thermolysis of aza-cyclic allene under microwave conditions: crystal structure of (3RS,3aSR,8RS,8aRS)-methyl 5,6-dimeth-oxy-3a,10-dimethyl-1-phenyl-3,3a,8,8a-tetra-hydro-3,8-(epimino-methano)-cyclo-penta-[a]indene-2-carboxyl-ate from synchrotron X-ray diffraction.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1770","1773","10.1107/S2056989017014864","","","0.9699","synchrotron","","0.0759","0.0529","","","0.1291","0.1458","","","","","","1.068","","","","has coordinates","245924","2020-10-21","18:00:00",""
"2311489","20.8869","0.0016","22.4197","0.0013","9.6352","0.0006","90","","90","","90","","4512","0.5","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","1,3,6,8-Tetraazatricyclo[4.4.1.1^3,8^]dodecane‒4-iodophenol (1/2)","","- C20 H26 I2 N4 O2 -","- C20 H26 I2 N4 O2 -","- C160 H208 I16 N32 O16 -","8","0.5","SJ5537","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of the co-crystalline adduct 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.13,8]dodecane (TATD)-4-iodo-phenol (1/2): supra-molecular assembly mediated by halogen and hydrogen bonding.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1692","1695","10.1107/S2056989017014943","","","0.71073","MoKα","","0.025","0.0246","","","0.0645","0.0647","","","","","","1.057","","","","has coordinates","245925","2020-10-21","18:00:00",""
"2311490","8.162","0.0007","8.8158","0.0008","9.5078","0.0008","98.531","0.002","109.218","0.002","92.062","0.002","636.22","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[bis(nitrato-κO)cobalt(II)]bis[μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^N:N']]","","- C24 H24 Co N6 O6 S2 -","- C24 H24 Co N6 O6 S2 -","- C24 H24 Co N6 O6 S2 -","1","0.5","","Moon, Suk-Hee; Seo, Joobeom; Park, Ki-Min","Crystal structure of a looped-chain CoII coordination polymer: catena-poly[[bis-(nitrato-κO)cobalt(II)]bis-[μ-bis-(pyridin-3-ylmeth-yl)sulfane-κ2N:N']].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1700","1703","10.1107/S2056989017014980","","","0.71073","MoKα","","0.0409","0.0328","","","0.0834","0.0877","","","","","","1.037","","","","has coordinates","245926","2020-10-21","18:00:00",""
"2311491","9.3136","0.0003","12.4532","0.0005","16.1799","0.0006","70.584","0.003","89.453","0.003","74.996","0.003","1703.51","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis(pyridine-4-carbothioamide-κN^1^)bis(thiocyanato-κN)cobalt(II) methanol monosolvate","","- C27 H28 Co N10 O S6 -","- C27 H28 Co N10 O S6 -","- C54 H56 Co2 N20 O2 S12 -","2","1","WM5421","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of bis-(pyridine-4-carbo-thio-amide-κN1)bis-(thio-cyanato-κN)cobalt(II) methanol monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1786","1789","10.1107/S2056989017015055","","","0.71073","MoKα","","0.0398","0.0311","","","0.077","0.0795","","","","","","1.068","","","","has coordinates","245927","2020-10-21","18:00:00",""
"2311492","7.2739","0.0007","11.2713","0.0011","14.6909","0.0015","87.562","0.001","78.341","0.001","71.624","0.001","1119.16","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-(3-Phenylisothiazol-5-yl)-1,3,4-oxathiazol-2-one","","- C11 H6 N2 O2 S2 -","- C11 H6 N2 O2 S2 -","- C44 H24 N8 O8 S8 -","4","2","","Zhu, Shuguang; Schriver, Melbourne J.; Hendsbee, Arthur D.; Masuda, Jason D.","The crystal structures of two isomers of 5-(phenyl-iso-thia-zol-yl)-1,3,4-oxa-thia-zol-2-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1726","1731","10.1107/S2056989017015067","","","0.71073","MoKα","","0.0349","0.0314","","","0.1015","0.106","","","","","","1.036","","","","has coordinates","245928","2020-10-21","18:00:00",""
"2311493","9.7202","0.0006","9.9723","0.0006","11.2165","0.0007","90","","90.399","0.001","90","","1087.22","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(3-Phenylisothiazol-4-yl)-1,3,4-oxathiazol-2-one","","- C11 H6 N2 O2 S2 -","- C11 H6 N2 O2 S2 -","- C44 H24 N8 O8 S8 -","4","1","","Zhu, Shuguang; Schriver, Melbourne J.; Hendsbee, Arthur D.; Masuda, Jason D.","The crystal structures of two isomers of 5-(phenyl-iso-thia-zol-yl)-1,3,4-oxa-thia-zol-2-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1726","1731","10.1107/S2056989017015067","","","0.71073","MoKα","","0.0309","0.0297","","","0.0814","0.0831","","","","","","1.016","","","","has coordinates","245928","2020-10-21","18:00:00",""
"2311494","7.5701","0.0003","14.1261","0.0004","14.9018","0.0005","97.351","0.003","102.335","0.003","91.206","0.003","1542.03","0.09","293","2","293","","","","","","","","","6","P -1","-P 1","2","","Bis(1H-benzo[d][1,2,3]triazole-κN^2^){2,2'-[N-(phenylphosphorylmethyl-κO)azanediyl]diacetato-κ^3^O,N,O'}cobalt(II)‒1H-benzo[d][1,2,3]triazole (1/1)","","- C29 H27 Co N10 O6 P -","- C29 H27 Co N10 O6 P -","- C58 H54 Co2 N20 O12 P2 -","2","1","XU5906","Du, Chao-Jun; Zhao, Xiao-Na","Synthesis and crystal structure of bis-(1H-benzo[d][1,2,3]triazole-κN2){2,2'-[N-(phenyl-phospho-r-yl-methyl-κO)aza-nedi-yl]di-acetato-κ3O,N,O'}cobalt(II)-1H-benzo[d][1,2,3]triazole (1/1).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1704","1707","10.1107/S2056989017015079","","","0.71073","MoKα","","0.0519","0.0379","","","0.0886","0.0971","","","","","","1.019","","","","has coordinates","245929","2020-10-21","18:00:00",""
"2311495","7.2782","0.0004","14.0016","0.0007","15.7852","0.0008","90","","99.546","0.001","90","","1586.34","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Acetyl-11-methoxy-5,6-dihydro[1,3]dioxolo[4,5-g]pyrrolo[2,1-a]isoquinolin-1-yl)propan-2-one","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","HB7707","Anh, Le Tuan; Titov, Alexander A.; Samavati, Reza; Voskressensky, Leonid G.; Varlamov, Alexey V.; Khrustalev, Victor N.","A new approach to alkaloid-like systems: synthesis and crystal structure of 1-(2-acetyl-11-meth-oxy-5,6-di-hydro-[1,3]dioxolo[4,5-g]pyrrolo-[2,1-a]isoquinolin-1-yl)propan-2-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1732","1734","10.1107/S2056989017015110","","","0.71073","MoKα","","0.064","0.0482","","","0.1228","0.133","","","","","","1.03","","","","has coordinates","245930","2020-10-21","18:00:00",""
"2311496","19.4627","0.0004","13.8181","0.0004","7.7343","0.0002","90","","90","","90","","2080.04","0.09","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","catena-Poly[bis(1,2,3-benzotriazolium) [[tetrachloridobismuth(III)]-μ-chlorido] dihydrate]","","- C12 H16 Bi Cl5 N6 O2 -","- C12 H16 Bi Cl5 N6 O2 -","- C48 H64 Bi4 Cl20 N24 O8 -","4","0.5","","Boukoum, Chaima; Aloui, Zouhaier; Ferretti, Valeria; Abid, Sonia","Synthesis, crystal structure and Hirshfeld surface analysis of a polymeric bis-muthate(III) halide complex, (C6H6N3)2[BiCl5]·2H2O.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1759","1763","10.1107/S2056989017015134","","","0.71073","MoKα","","0.0384","0.038","","","0.0953","0.0955","","","","","","1.111","","","","has coordinates","245931","2020-10-21","18:00:00",""
"2311497","7.2449","0.0011","9.6102","0.0014","17.196","0.003","98.58","0.002","94.54","0.002","103.409","0.002","1143.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","N,N,N',N'-Tetrakis(2-methylpropyl)disulfane-1,2-dicarbothioamide","","- C18 H36 N2 S4 -","- C18 H36 N2 S4 -","- C36 H72 N4 S8 -","2","1","LH5851","Fontenot, Patricia R.; Wang, Bo; Chen, Yueli; Donahue, James P.","Crystal structure of tetra-iso-butyl-thiuram di-sulfide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1764","1769","10.1107/S2056989017015158","","","0.71073","MoKα","","0.0716","0.0516","","","0.1347","0.1462","","","","","","1.071","","","","has coordinates","245932","2020-10-21","18:00:00",""
"2311498","12.3538","0.0006","18.7727","0.001","23.4056","0.0012","90","","90","","90","","5428.1","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(Dimethylamino)pyridine‒4-methoxyphenylborane (1/1)","","- C14 H19 B N2 O -","- C14 H19 B N2 O -","- C224 H304 B16 N32 O16 -","16","2","LH5853","Shooter, Jesse; Allen, Caleb J.; Tinsley, Colby W. K.; Zakharov, Lev N.; Abbey, Eric R.","Crystal structure and Hirshfield analysis of the 4-(di-methyl-amino)-pyridine adduct of 4-meth-oxy-phenyl-borane.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1747","1750","10.1107/S2056989017015171","","","1.54178","CuKα","","0.0569","0.0467","","","0.1327","0.1443","","","","","","1.084","","","","has coordinates","245933","2020-10-21","18:00:00",""
"2311499","7.9407","0.0014","12.293","0.002","18.0684","0.0019","90","","90","","90","","1763.7","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trisodium Zinc Cadmium Pentaborate","Trisodium zinc cadmium pentaborate","","- B5 Cd0.09 Na3 O10 Zn0.91 -","- B5 Cd0.088 Na3 O10 Zn0.912 -","- B40 Cd0.704 Na24 O80 Zn7.296 -","8","1","WM5422","Chen, Xue-An; Zhang, Ya-Hua; Chang, Xin-An; Xiao, Wei-Qiang","Crystal structures of the solid solutions Na3Zn0.912Cd0.088B5O10 and Na3Zn0.845Mg0.155B5O10.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1774","1778","10.1107/S2056989017015249","","","0.71073","MoKα","","0.0943","0.0374","","","0.0673","0.0723","","","","","","0.911","","","","has coordinates","245935","2020-10-21","18:00:00",""
"2311500","7.8931","0.0012","12.2555","0.0012","18.0874","0.0011","90","","90","","90","","1749.7","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trisodium Zinc Magnesium Pentaborate","Trisodium zinc magnesium pentaborate","","- B5 Mg0.155 Na3 O10 Zn0.845 -","- B5 Mg0.155 Na3 O10 Zn0.845 -","- B40 Mg1.24 Na24 O80 Zn6.76 -","8","1","WM5422","Chen, Xue-An; Zhang, Ya-Hua; Chang, Xin-An; Xiao, Wei-Qiang","Crystal structures of the solid solutions Na3Zn0.912Cd0.088B5O10 and Na3Zn0.845Mg0.155B5O10.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1774","1778","10.1107/S2056989017015249","","","0.71073","MoKα","","0.109","0.0441","","","0.1047","0.113","","","","","","0.872","","","","has coordinates","245935","2020-10-21","18:00:00",""
"2311501","19","0.007","7.382","0.003","20.212","0.007","90","","114.271","0.005","90","","2584.3","1.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate","","- C24 H25.5 N6 O9.5 -","- C24 H25.5 N6 O9.5 -","- C96 H102 N24 O38 -","4","1","PK2607","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Crystal structure of 2,3,5,6-tetra-kis-(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1793","1796","10.1107/S2056989017015328","","","0.71073","MoKα","","0.1016","0.0897","","","0.185","0.1908","","","","","","1.168","","","","has coordinates,has disorder","245936","2020-10-21","18:00:00",""
"2311502","6.5825","0.0005","9.0574","0.0012","13.9842","0.0012","74.214","0.001","84.69","0.002","82.303","0.001","793.69","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[(μ~3~-3-carboxybenzoato)[μ~2~-5-(pyridin-4-yl)-1H,2'H-3,3'-bi[1,2,4-triazole]]cobalt(II)]","","- C17 H11 Co N7 O4 -","- C17 H11 Co N7 O4 -","- C34 H22 Co2 N14 O8 -","2","1","KQ2016","Du, Chao-Jun; Zhao, Xiao-Na; Chen, Bao-Yong","Synthesis and crystal structure of a two-dimensional CoII coordination polymer: poly[(μ3-3-carb-oxy-benzoato)[μ2-5-(pyridin-4-yl)-1H,2'H-3,3'-bi[1,2,4-triazole]]cobalt(II)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1779","1781","10.1107/S205698901701533X","","","0.71073","MoKα","","0.1049","0.0608","","","0.0895","0.1126","","","","","","1.093","","","","has coordinates","245937","2020-10-21","18:00:00",""
"2311503","8.5922","0.0003","9.1285","0.0003","21.5629","0.0006","90","","96.754","0.001","90","","1679.53","0.09","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Poly[bis{μ~2~-1-[2-(cyclohexylsulfanyl)ethyl]pyridin-2(1H)-one}tetra-μ~3~-iodidotetracopper(I)]","","- C26 H38 Cu4 I4 N2 O2 S2 -","- C26 H38 Cu4 I4 N2 O2 S2 -","- C52 H76 Cu8 I8 N4 O4 S4 -","2","1","","Park, Hyunjin; Kim, Jineun; Im, Hansu; Kim, Tae Ho","A two-dimensional copper(I) coordination polymer based on 1-[2-(cyclo-hexyl-sulfan-yl)eth-yl]pyridin-2(1H)-one.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1782","1785","10.1107/S2056989017015377","","","0.71073","MoKα","","0.0323","0.0313","","","0.0714","0.0722","","","","","","1.101","","","","has coordinates","245938","2020-10-21","18:00:00",""
"2311504","10.3615","0.0003","13.8916","0.0006","20.2121","0.0008","90","","90","","90","","2909.29","0.19","295","2","295","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-1-(3-phenoxypropyl)pyridinium bromide","","- C15 H18 Br N O -","- C15 H18 Br N O -","- C120 H144 Br8 N8 O8 -","8","1","","Said, Musa A.; Aouad, Mohamed R.; Hughes, David L.; Almehmadi, Meshal A.; Messali, Mouslim","Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen-oxy-prop-yl)pyridinium bromide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1831","1834","10.1107/S2056989017015481","","","0.71073","Mo-Kα","","0.0561","0.045","","","0.0827","0.0865","","","","","","1.199","","","","has coordinates","245939","2020-10-21","18:00:00",""
"2311505","8.8","0.0018","9.661","0.0019","15.369","0.003","75.68","0.03","85.44","0.03","83.68","0.03","1256.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 3,3'-[(2-fluorophenyl)methylidene]bis(1H-indole-2-carboxylate)","","- C29 H25 F N2 O4 -","- C29 H25 F N2 O4 -","- C58 H50 F2 N4 O8 -","2","1","XU5908","Lu, Xin-Hua; Sun, Hong-Shun; Cai, Yuan; Chen, Lu-Lu; Chen, Yang-Feng","Crystal structure of diethyl 3,3'-[(2-fluoro-phen-yl)methyl-idene]bis-(1H-indole-2-carboxyl-ate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1790","1792","10.1107/S2056989017015523","","","0.71073","MoKα","","0.1222","0.0689","","","0.1622","0.1859","","","","","","1","","","","has coordinates","245940","2020-10-21","18:00:00",""
"2311506","13.6751","0.0006","16.0733","0.0007","19.5889","0.0009","98.6919","0.0018","109.424","0.0016","90.5484","0.0016","4005.8","0.3","105","2","105","2","","","","","","","","3","P -1","-P 1","2","","(η^5^,η^1^-Adamantylidenepentafulvene)bis(η^5^-cyclopentadienyl)zirconium(IV)‒toluene‒n-hexane (8/1/1)","","- C26.62 H30.75 Zr -","- C26.625 H30.75 Zr -","- C213 H246 Zr8 -","8","4","WM5418","Fischer, Malte; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structure of the formal 20 electron zirconocene penta-fulvene complex Cp2Zr(η5,η1-adamantyl-idene-penta-fulvene):toluene:n-hexane = 1:0.125:0.125.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1823","1826","10.1107/S2056989017015560","","","0.71073","MoKα","","0.0767","0.0439","","","0.0957","0.11","","","","","","1.013","","","","has coordinates,has disorder","245941","2020-10-21","18:00:00",""
"2311507","10.914","0.0004","12.1104","0.0005","12.2394","0.0005","95.62","0.002","116.098","0.002","114.545","0.002","1241.05","0.1","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","Bis(μ~2~-4-bromo-2-[({2-[({2-[(5-bromo-2-oxidobenzylidene)amino]ethyl}sulfanyl)sulfonyl]ethyl}imino)methyl]phenolato)dicopper(II) dimethylformamide disolvate","","- C42 H46 Br4 Cu2 N6 O10 S4 -","- C42 H46 Br4 Cu2 N6 O10 S4 -","- C42 H46 Br4 Cu2 N6 O10 S4 -","1","0.5","LH5856","Rusanova, Julia A.; Bederak, Dmytro","Crystal structure of bis(μ2-4-bromo-2-[({2-[({2-[(5-bromo-2-oxidobenzylidene)amino]ethyl}sulfanyl)sulfonyl]ethyl}imino)methyl]phenolato)dicopper(II) dimethylformamide disolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1797","1800","10.1107/S2056989017015584","","","0.71073","MoKα","","0.1343","0.0588","","","0.1083","0.1349","","","","","","0.971","","","","has coordinates","245942","2020-10-21","18:00:00",""
"2311508","8.8965","0.0002","18.0995","0.0004","19.0103","0.0006","90","","94.572","0.002","90","","3051.34","0.14","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Poly[[aqua{μ~4~-2,2'-[(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(methylidene)]bis(4-oxo-4H-pyran-3-olato)}perchloratocobaltbarium] perchlorate]","","- C22 H30 Ba Cl2 Co N4 O15 -","- C22 H30 Ba Cl2 Co N4 O15 -","- C88 H120 Ba4 Cl8 Co4 N16 O60 -","4","1","BQ2404","Paoli, Paola; Macedi, Eleonora; Rossi, Patrizia; Giorgi, Luca; Formica, Mauro; Fusi, Vieri","Crystal structure of the BaII-based CoII-containing one-dimensional coordination polymer poly[[aqua{μ4-2,2'-[(4,10-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane-1,7-di-yl)bis(methylidene)]bis-(4-oxo-4H-pyran-3-olato)}-perchloratocobaltbarium] perchlorate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1806","1811","10.1107/S2056989017015638","","","0.71073","MoKα","","0.062","0.0411","","","0.0894","0.1031","","","","","","1.057","","","","has coordinates,has disorder","245943","2020-10-21","18:00:00",""
"2311509","12.19","0.006","5.972","0.003","38.17","0.02","90","","98.013","0.01","90","","2752","2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E,2'E)-3,3'-(1,4-Phenylene)bis[1-(2,4-difluorophenyl)prop-2-en-1-one]","","- C24 H14 F4 O2 -","- C24 H14 F4 O2 -","- C144 H84 F24 O12 -","6","1.5","HB7696","Kwong, Huey Chong; Sim, Aijia; Chidan Kumar, C. S.; Then, Li Yee; Win, Yip-Foo; Quah, Ching Kheng; Naveen, S.; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of (2E,2'E)-3,3'-(1,4-phenyl-ene)bis-[1-(2,4-di-fluoro-phen-yl)prop-2-en-1-one].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1812","1816","10.1107/S205698901701564X","","","0.71073","MoKα","","0.1193","0.0763","","","0.1874","0.2329","","","","","","1.088","","","","has coordinates","245944","2020-10-21","18:00:00",""
"2311510","18.31","0.008","5.2661","0.001","9.2792","0.001","90","","96.07","0.004","90","","889.7","0.4","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","(1S,2R)-(+)-2-Amino-1,2-diphenylethanol, L-(S)-Aspartic acid, monohydrate","(1S,2R)-2-Hydroxy-1,2-diphenylethan-1-aminium (S)-2-azaniumylbutanedioate monohydrate","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","1","SU5398","Fujii, Isao","Crystal structure of (1S,2R)-2-hy-droxy-1,2-di-phenyl-ethan-1-aminium (S)-2-aza-niumyl-butane-dioate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1827","1830","10.1107/S2056989017015729","","","1.54178","CuKα","","0.0316","0.0282","","","0.0759","0.0788","","","","","","1.059","","","","has coordinates","245945","2020-10-21","18:00:00",""
"2311511","9.776","0.002","15.939","0.003","17.581","0.004","90","","101.94","0.03","90","","2680.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl 3,3'-[(2,4-dichlorophenyl)methylidene]bis(1H-indole-2-carboxylate)","","- C29 H24 Cl2 N2 O4 -","- C29 H24 Cl2 N2 O4 -","- C116 H96 Cl8 N8 O16 -","4","1","SJ5539","Li, Yu-Long; Sun, Hong-Shun; Jiang, Hong; Chen, Yu-Liang; Chen, Yang-Feng","Crystal structure of diethyl 3,3'-[(2,4-di-chloro-phen-yl)methyl-idene]bis-(1H-indole-2-carboxyl-ate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1817","1819","10.1107/S2056989017015730","","","0.71073","MoKα","","0.1192","0.0666","","","0.1653","0.1918","","","","","","1","","","","has coordinates","245946","2020-10-21","18:00:00",""
"2311512","9.9916","0.0005","11.7805","0.0006","11.9776","0.0006","88.809","0.004","79.159","0.004","67.245","0.005","1274.8","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-[6-Amino-5-(benzo[d]thiazol-2-yl)-3-cyano-4-methylsulfanyl-2-oxo-1,2-dihydropyridin-1-yl]-4-methylbenzenesulfonamide dimethylformamide monosolvate","","- C24 H24 N6 O4 S3 -","- C24 H24 N6 O4 S3 -","- C48 H48 N12 O8 S6 -","2","1","HG5500","Azzam, Rasha A.; Elgemeie, Galal H.; Elsayed, Rasha E.; Jones, Peter G.","Crystal structure of N-[6-amino-5-(benzo[d]thia-zol-2-yl)-3-cyano-4-methyl-sulfanyl-2-oxo-1,2-di-hydro-pyridin-1-yl]-4-methyl-benzene-sulfonamide di-methyl-formamide monosolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1820","1822","10.1107/S2056989017015778","","","0.71073","MoKα","","0.0401","0.033","","","0.0785","0.0824","","","","","","1.04","","","","has coordinates","245947","2020-10-21","18:00:00",""
"2311513","13.856","0.001","14.909","0.002","16.357","0.002","63.224","0.002","73.137","0.002","88.093","0.002","2868.2","0.6","190","2","190","2","","","","","","","","8","P -1","-P 1","2","","Nitrosonium tetrafluoridoborate–5,11,17,23-tetramethyl-6,10:12,16:18,22:24,4-tetrakis(phenylphosphonato-κ^2^O,O)resorcin(4)arene–dichloromethane (1/1/1)","","- C57 H46 B Cl2 F4 N O13 P4 -","- C56 H44 B F4 N O13 P4 -","- C112 H88 B2 F8 N2 O26 P8 -","2","1","","Pinalli, Roberta; Massera, Chiara","Nitro-sonium complexation by the tetra-phospho-nate cavitand 5,11,17,23-tetra-methyl-6,10:12,16:18,22:24,4-tetra-kis-(phenyl-phospho-nato-κ2O,O)resorcin(4)arene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1801","1805","10.1107/S2056989017015857","","","0.71069","MoKα","","0.067","0.0417","","","0.1188","0.1276","","","","","","1.003","","","","has coordinates,has disorder","279105","2022-11-08","14:41:09",""
"2311514","9.7298","0.0006","11.8643","0.0005","14.4933","0.0007","90","","90","","90","","1673.07","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1S,4S-2,5-diazabicyclo[2.2.1]heptane dihydrobromode","(1S,4S)-2,5-Diazoniabicyclo[2.2.1]heptane dibromide","","- C5 H12 Br2 N2 -","- C5 H12 Br2 N2 -","- C40 H96 Br16 N16 -","8","2","LH5858","Britvin, Sergey N.; Rumyantsev, Andrey M.","Crystal structure of (1S,4S)-2,5-diazo-niabi-cyclo[2.2.1]heptane dibromide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1861","1865","10.1107/S2056989017015870","","","0.71073","MoKα","","0.0147","0.0143","","","0.0351","0.0353","","","","","","1.023","","","","has coordinates","245949","2020-10-21","18:00:00",""
"2311515","7.2599","0.0005","10.5614","0.0005","16.7351","0.0008","78.863","0.004","87.472","0.005","85.238","0.005","1254.13","0.12","295","1","295","1","","","","","","","","4","P -1","-P 1","2","r-1,c-2-Dibenzoyl-t-3,t-4-bis(2-nitrophenyl)cyclobutane","[3,4-Bis(2-nitrophenyl)cyclobutane-1,2-diyl]bis[(phenyl)methanone]","","- C30 H22 N2 O6 -","- C30 H22 N2 O6 -","- C60 H44 N4 O12 -","2","1","EX2002","Velasco Ximello, Manuel; Bernès, Sylvain; Pérez-Benítez, Aarón; Hernández Pareja, Ulises; Mendoza, Angel; Juárez Posadas, Jorge R; Vázquez Bravo, Jaime","Crystal structure of r-1,c-2-dibenzoyl-t-3,t-4-bis-(2-nitro-phen-yl)cyclo-butane.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1866","1870","10.1107/S2056989017015936","","","0.71073","MoKα","","0.0881","0.0533","","","0.1348","0.1642","","","","","","1.037","","","","has coordinates,has disorder","245950","2020-10-21","18:00:00",""
"2311516","4.7354","0.0003","25.9882","0.0017","11.0671","0.0009","90","","102.268","0.007","90","","1330.87","0.17","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Hydroxy-4-propyloxy-9,10-anthraquinone","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","NR2068","Nakagawa, Hidemi; Kitamura, Chitoshi","Crystal structures of 1-hy-droxy-4-prop-yloxy-9,10-anthra-quinone and its acetyl derivative.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1845","1849","10.1107/S2056989017015973","","","0.71073","MoKα","","0.079","0.0471","","","0.1087","0.1227","","","","","","1.024","","","","has coordinates","245951","2020-10-21","18:00:00",""
"2311517","11.773","0.0012","15.514","0.002","8.9609","0.001","90","","111.153","0.008","90","","1526.4","0.3","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Acetyloxy-4-propyloxy-9,10-anthraquinone","","- C19 H16 O5 -","- C19 H16 O5 -","- C76 H64 O20 -","4","1","NR2068","Nakagawa, Hidemi; Kitamura, Chitoshi","Crystal structures of 1-hy-droxy-4-prop-yloxy-9,10-anthra-quinone and its acetyl derivative.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1845","1849","10.1107/S2056989017015973","","","0.71073","MoKα","","0.1579","0.0701","","","0.1454","0.1803","","","","","","0.961","","","","has coordinates","245951","2020-10-21","18:00:00",""
"2311518","14.9527","0.0005","5.5152","0.0002","16.6918","0.0005","90","","114.739","0.002","90","","1250.19","0.07","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-1-{3-[(5-Fluoro-2-hydroxybenzylidene)amino]phenyl}ethanone","","- C15 H12 F N O2 -","- C15 H12 F N O2 -","- C60 H48 F4 N4 O8 -","4","1","SU5402","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of (E)-1-{3-[(5-fluoro-2-hy-droxy-benzyl-idene)amino]-phen-yl}ethanone and of a fourth polymorph of (E)-1-{3-[(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-phen-yl}ethanone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1835","1839","10.1107/S2056989017015985","","","1.54178","CuKα","","0.0677","0.0463","","","0.1076","0.1216","","","","","","1.035","","","","has coordinates","245952","2020-10-21","18:00:00",""
"2311519","19.1904","0.0004","5.33856","0.00012","26.5678","0.0006","90","","90","","90","","2721.85","0.1","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-1-{3-[(2-Hydroxy-3-methoxybenzylidene)amino]phenyl}ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","SU5402","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structures of (E)-1-{3-[(5-fluoro-2-hy-droxy-benzyl-idene)amino]-phen-yl}ethanone and of a fourth polymorph of (E)-1-{3-[(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-phen-yl}ethanone.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1835","1839","10.1107/S2056989017015985","","","1.54184","CuKα","","0.0761","0.0476","","","0.0997","0.1132","","","","","","1.021","","","","has coordinates","245952","2020-10-21","18:00:00",""
"2311520","15.1028","0.001","3.6851","0.0003","17.5689","0.0013","90","","101.871","0.003","90","","956.89","0.12","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-carboxypyridinium) chloranilate dihydrate‒bis(pyridinium-2-carboxylate) chloranilic acid dihydrate (1/1)","","- C18 H16 Cl2 N2 O10 -","- C18 H16 Cl2 N2 O10 -","- C36 H32 Cl4 N4 O20 -","2","0.5","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of two 1:2 dihydrate compounds of chloranilic acid with 2-carb-oxy-pyridine and 2-carb-oxy-quinoline.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1840","1844","10.1107/S2056989017015997","","","0.71075","MoKα","","0.0332","0.0297","","","0.0775","0.0793","","","","","","1.108","","","","has coordinates,has disorder","245953","2020-10-21","18:00:00",""
"2311521","4.4745","0.0002","10.5448","0.0008","13.6111","0.0006","96.652","0.004","94.109","0.003","99.009","0.004","627.37","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","chloranilic acid‒2-carboxyquinoline (1/2) dihydrate","","- C26 H20 Cl2 N2 O10 -","- C26 H20 Cl2 N2 O10 -","- C26 H20 Cl2 N2 O10 -","1","0.5","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of two 1:2 dihydrate compounds of chloranilic acid with 2-carb-oxy-pyridine and 2-carb-oxy-quinoline.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1840","1844","10.1107/S2056989017015997","","","0.71075","MoKα","","0.0722","0.0524","","","0.1388","0.1493","","","","","","1.005","","","","has coordinates","245953","2020-10-21","18:00:00",""
"2311522","11.628","0.011","9.057","0.006","11.525","0.012","90","","101.13","0.08","90","","1190.9","1.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-N-(4-Methoxyphenyl)-2-(4-oxothiazolidin-2-ylidene)acetamide","","- C12 H12 N2 O3 S -","- C12 H12 N2 O3 S -","- C48 H48 N8 O12 S4 -","4","1","","Galushchinskiy, Aleksei; Slepukhin, Pavel; Obydennov, Konstantin","Crystal structures of two (Z)-2-(4-oxo-1,3-thia-zolidin-2-yl-idene)acetamides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1850","1854","10.1107/S2056989017016061","","","1.54184","CuKα","","0.0559","0.0429","","","0.1023","0.1045","","","","","","1.01","","","","has coordinates","245954","2020-10-21","18:00:00",""
"2311523","9.974","0.0004","11.2175","0.0004","9.3155","0.0004","90","","100.389","0.004","90","","1025.16","0.07","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-[2-(Morpholin-4-yl)-2-oxoethylidene]thiazolidin-4-one","","- C9 H12 N2 O3 S -","- C9 H12 N2 O3 S -","- C36 H48 N8 O12 S4 -","4","1","","Galushchinskiy, Aleksei; Slepukhin, Pavel; Obydennov, Konstantin","Crystal structures of two (Z)-2-(4-oxo-1,3-thia-zolidin-2-yl-idene)acetamides.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1850","1854","10.1107/S2056989017016061","","","0.7107","MoKα","","0.0617","0.0461","","","0.1374","0.1543","","","","","","1.005","","","","has coordinates","245954","2020-10-21","18:00:00",""
"2311524","6.9341","0.0008","8.9597","0.0013","12.303","0.0016","110.217","0.005","91.06","0.005","93.28","0.005","715.49","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Poly[[di-μ~3~-acetato-tetraaquabis(μ~2~-cyclohexane-1,4-dicarboxylato)dilanthanum(III)] dihydrate]","","- C20 H38 La2 O18 -","- C20 H38 La2 O18 -","- C20 H38 La2 O18 -","1","0.5","VN2132","Drisya, R.; Mol, U. S. Soumya; Chandran, P. R. Satheesh; Sithambaresan, M.; Sudarsankumar, M. R.","Crystal structure of poly[[di-μ3-acetato-tetra-aqua-bis-(μ2-cyclo-hexane-1,4-di-carboxyl-ato)dilanth-an-um(III)] dihydrate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1926","1930","10.1107/S2056989017016103","","","0.71073","MoKα","","0.0733","0.041","","","0.1134","0.1455","","","","","","1.068","","","","has coordinates","245955","2020-10-21","18:00:00",""
"2311525","5.7981","0.0012","7.0938","0.0014","9.817","0.002","109.75","0.03","100.42","0.03","98.4","0.03","364.28","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Barium dimanganese(II) bis(arsenate)","","- As2 Ba Mn2 O8 -","- As2 Ba Mn2 O8 -","- As4 Ba2 Mn4 O16 -","2","1","WM5420","Alcantar, Salvador; Ledbetter, Hollis R.; Ranmohotti, Kulugammana G. S.","Crystal structure of BaMn2(AsO4)2 containing discrete [Mn4O18]28- units.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1855","1860","10.1107/S2056989017016152","","","0.71073","MoKα","","0.0407","0.0385","","","0.0951","0.0968","","","","","","1.144","","","","has coordinates","245956","2020-10-21","18:00:00",""
"2311526","11.594","0.004","17.072","0.005","4.4739","0.0012","90","","90","","90","","885.5","0.5","150.01","","150.01","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","Poly[[μ~3~-(S)-2-amino-3-hydroxypropanoato]-cis-di-μ-chlorido-caesiumpalladium(II)]","","- C3 H6 Cl2 Cs N O3 Pd -","- C3 H6 Cl2 Cs N O3 Pd -","- C12 H24 Cl8 Cs4 N4 O12 Pd4 -","4","1","IM2483","Bhadbhade, Mohan Madhav; Charlson, Alexander J.","Crystal structure of poly[[μ3-(S)-2-amino-3-hydroxy-propano-ato]-cis-di-μ-chlorido-caesium-palladium(II)].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1898","1902","10.1107/S2056989017016164","","","0.71073","MoKα","","0.0642","0.0387","","","0.0655","0.0758","","","","","","0.834","","","","has coordinates","245957","2020-10-21","18:00:00",""
"2311527","10.4724","0.0011","13.1128","0.0014","10.8914","0.0012","90","","100.117","0.0018","90","","1472.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[[dichloridomercury(II)]-μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^N:N']","","- C12 H12 Cl2 Hg N2 S -","- C12 H12 Cl2 Hg N2 S -","- C48 H48 Cl8 Hg4 N8 S4 -","4","1","","Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min","A one-dimensional HgII coordination polymer based on bis-(pyridin-3-ylmeth-yl)sulfane.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1871","1874","10.1107/S205698901701619X","","","0.71073","MoKα","","0.0536","0.0328","","","0.0694","0.0761","","","","","","1.027","","","","has coordinates","245958","2020-10-21","18:00:00",""
"2311528","5.2171","0.0009","8.9249","0.0016","15.309","0.003","105.289","0.008","94.523","0.008","93.295","0.009","683.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Aqua(1H-pyrazole-κN^2^)(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)copper(II) dihydrate","","- C10 H13 Cu N3 O7 -","- C10 H13 Cu N3 O7 -","- C20 H26 Cu2 N6 O14 -","2","1","IS5480","Kim, Daeyoung; Kang, Sung Kwon","Crystal structure of aqua-(1H-pyrazole-κN2)(pyridine-2,6-di-carboxyl-ato-κ3O2,N,O6)copper(II) dihydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1875","1877","10.1107/S2056989017016231","","","0.71073","MoKα","","0.0372","0.0349","","","0.0874","0.0883","","","","","","1.153","","","","has coordinates","245959","2020-10-21","18:00:00",""
"2311529","14.3999","0.0005","7.0388","0.0003","19.9725","0.0007","90","","91.727","0.003","90","","2023.45","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(3-Methylphenyl)ethoxycarbothioamide","","- C10 H13 N O S -","- C10 H13 N O S -","- C80 H104 N8 O8 S8 -","8","2","HB7715","Jotani, Mukesh M.; Yeo, Chien Ing; Tiekink, Edward R. T.","A new monoclinic polymorph of N-(3-methyl-phen-yl)eth-oxy-carbo-thio-amide: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1889","1897","10.1107/S2056989017016280","","","0.71073","MoKα","","0.0666","0.0473","","","0.1147","0.1247","","","","","","1.034","","","","has coordinates","245960","2020-10-21","18:00:00",""
"2311530","12.8126","0.0007","7.0224","0.0003","12.8169","0.0006","90","","117.207","0.003","90","","1025.61","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(1E)-({1-(3-Chlorophenyl)-2-[(E)-(2-hydroxybenzylidene)amino]propyl}imino)methyl]phenol","","- C23 H21 Cl N2 O2 -","- C23 H21 Cl N2 O2 -","- C46 H42 Cl2 N4 O4 -","2","1","ZQ2239","Gayathri, A.; Rajeswari, K.; Vidhyasagar, T.; Selvanayagam, S.","Crystal structures of salen-type ligands 2-[(1E)-({1-(3-chloro-phen-yl)-2-[(E)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol and 2-[(1E)-({1-(4-chloro-phen-yl)-2-[(E)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1878","1881","10.1107/S2056989017016292","","","0.71073","MoKα","","0.1121","0.0439","","","0.0717","0.0873","","","","","","0.982","","","","has coordinates","245961","2020-10-21","18:00:00",""
"2311531","6.7923","0.0002","20.8261","0.0008","14.1744","0.0006","90","","92.435","0.002","90","","2003.26","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(1E)-({1-(4-Chlorophenyl)-2-[(E)-(2-hydroxybenzylidene)amino]propyl}imino)methyl]phenol","","- C23 H21 Cl N2 O2 -","- C23 H21 Cl N2 O2 -","- C92 H84 Cl4 N8 O8 -","4","1","ZQ2239","Gayathri, A.; Rajeswari, K.; Vidhyasagar, T.; Selvanayagam, S.","Crystal structures of salen-type ligands 2-[(1E)-({1-(3-chloro-phen-yl)-2-[(E)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol and 2-[(1E)-({1-(4-chloro-phen-yl)-2-[(E)-(2-hy-droxy-benzyl-idene)amino]-prop-yl}imino)-meth-yl]phenol.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1878","1881","10.1107/S2056989017016292","","","0.71073","MoKα","","0.0951","0.0471","","","0.11","0.1402","","","","","","1.076","","","","has coordinates","245961","2020-10-21","18:00:00",""
"2311532","20.9091","0.0015","15.7423","0.0007","19.8734","0.0016","90","","112.451","0.006","90","","6045.7","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(tetra-n-butylammonium) dichloride decachlorocyclopentasilane dichloromethane disolvate","","- C34 H76 Cl16 N2 Si5 -","- C34 H76 Cl16 N2 Si5 -","- C136 H304 Cl64 N8 Si20 -","4","0.5","HB7717","Moxter, Maximilian; Teichmann, Julian; Lerner, Hans-Wolfram; Bolte, Michael; Wagner, Matthias","Deca-chloro-cyclo-penta-silanes coordinated by pairs of chloride anions, with different cations, but the same solvent mol-ecules.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1903","1907","10.1107/S2056989017016310","","","0.71073","MoKα","","0.1298","0.1033","","","0.1884","0.199","","","","","","1.153","","","","has coordinates","245962","2020-10-21","18:00:00",""
"2311533","10.3596","0.0004","13.9612","0.0005","16.0205","0.0006","89.959","0.003","72.484","0.003","79.534","0.003","2169.29","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetraethylammonium) dichloride decachlorocyclopentasilane dichloromethane disolvate","","- C18 H44 Cl16 N2 Si5 -","- C18 H44 Cl16 N2 Si5 -","- C36 H88 Cl32 N4 Si10 -","2","1","HB7717","Moxter, Maximilian; Teichmann, Julian; Lerner, Hans-Wolfram; Bolte, Michael; Wagner, Matthias","Deca-chloro-cyclo-penta-silanes coordinated by pairs of chloride anions, with different cations, but the same solvent mol-ecules.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1903","1907","10.1107/S2056989017016310","","","0.71073","MoKα","","0.0525","0.0483","","","0.1268","0.1308","","","","","","1.078","","","","has coordinates,has disorder","245962","2020-10-21","18:00:00",""
"2311534","14.6731","0.0005","14.6731","0.0005","3.9727","0.0001","90","","90","","90","","855.32","0.05","123","2","123","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","RCN","3,5-Dibromo-4-methylbenzonitrile","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C32 H20 Br8 N4 -","4","0.5","LH5859","Noland, Wayland E.; Shudy, Jessica E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J.","Crystal structures of 2,6-di-bromo-4-methyl-benzo-nitrile and 2,6-di-bromo-4-methyl-phenyl isocyanide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1913","1916","10.1107/S2056989017016395","","","1.54178","CuKα","","0.0201","0.0201","","","0.0571","0.0571","","","","","","1.27","","","","has coordinates","245963","2020-10-21","18:00:00",""
"2311535","14.69","0.005","14.69","0.005","4.0703","0.0015","90","","90","","90","","878.4","0.5","173","2","173","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","RNC","2,6-Dibromo-4-methylphenyl isocyanide","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C32 H20 Br8 N4 -","4","0.5","","Noland, Wayland E.; Shudy, Jessica E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J.","Crystal structures of 2,6-di-bromo-4-methyl-benzo-nitrile and 2,6-di-bromo-4-methyl-phenyl isocyanide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1913","1916","10.1107/S2056989017016395","","","0.71073","MoKα","","0.0267","0.0232","","","0.05","0.0508","","","","","","1.141","","","","has coordinates","245963","2020-10-21","18:00:00",""
"2311536","21.577","0.011","3.5533","0.0018","16.096","0.008","90","","90","","90","","1234.1","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1H-Imidazol-3-ium 2,4,6-trinitrophenolate monohydrate","","- C9 H9 N5 O8 -","- C9 H9 N5 O8 -","- C36 H36 N20 O32 -","4","1","LH5861","Liu, Ling-Li","Stoichiometric and polymorphic salt of imidazolium picrate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1885","1888","10.1107/S2056989017016401","","","0.71073","MoKα","","0.0429","0.0346","","","0.0817","0.0863","","","","","","1.036","","","","has coordinates","245964","2020-10-21","18:00:00",""
"2311537","11.419","0.002","13.363","0.002","12.119","0.002","90","","106.226","0.004","90","","1775.6","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Poly[[dichloridobis(methanol-κO)cobalt(II)]-μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^N:N']","","- C14 H20 Cl2 Co N2 O2 S -","- C14 H20 Cl2 Co N2 O2 S -","- C56 H80 Cl8 Co4 N8 O8 S4 -","4","0.5","","Moon, Suk-Hee; Seo, Joobeom; Park, Ki-Min","Crystal structure of a zigzag CoII coordination polymer: catena-poly[[di-chlorido-bis-(methanol-κO)cobalt(II)]-μ-bis-(pyridin-3-ylmeth-yl)sulfane-κ2N:N'].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1882","1884","10.1107/S2056989017016449","","","0.71073","MoKα","","0.1278","0.0467","","","0.0772","0.0951","","","","","","0.919","","","","has coordinates","245965","2020-10-21","18:00:00",""
"2311538","19.5319","0.0004","26.6614","0.0004","19.8681","0.0003","90","","90","","90","","10346.3","0.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(3,5-diisopropyl-1H-pyrazole)[hydrotris(3,5-diisopropylpyrazolyl)borato]iodidoeuropium(II)","","- C45 H78 B Eu I N10 -","- C45 H78 B Eu I N10 -","- C360 H624 B8 Eu8 I8 N80 -","8","1","ZL2718","Liebing, Phil; Kühling, Marcel; Takats, Josef; Hilfert, Liane; Edelmann, Frank T.","Formation and structural characterization of a europium(II) mono(scorpionate) complex and a sterically crowded pyraza-bole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1921","1925","10.1107/S2056989017016498","","","0.71073","MoKα","","0.0455","0.0313","","","0.0592","0.0631","","","","","","1.04","","","","has coordinates,has disorder","245966","2020-10-21","18:00:00",""
"2311539","25.7646","0.0011","11.2134","0.0003","15.0968","0.0007","90","","118.792","0.003","90","","3822.4","0.3","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","trans-4,8-Bis(3,5-diisopropylpyrazoly-1-yl)-1,3,5,7-tetraisopropylpyrazabole","","- C36 H62 B2 N8 -","- C36 H62 B2 N8 -","- C144 H248 B8 N32 -","4","0.5","","Liebing, Phil; Kühling, Marcel; Takats, Josef; Hilfert, Liane; Edelmann, Frank T.","Formation and structural characterization of a europium(II) mono(scorpionate) complex and a sterically crowded pyraza-bole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1921","1925","10.1107/S2056989017016498","","","0.71073","MoKα","","0.065","0.0435","","","0.096","0.1038","","","","","","1.021","","","","has coordinates,has disorder","245966","2020-10-21","18:00:00",""
"2311540","8.7271","0.0006","11.6521","0.0004","12.54","0.0008","90","","96.539","0.002","90","","1266.88","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Buthalital (Bayinal, Baytinal, Thialbutal, Transithal, Ulbreval)","5-(2-Methylpropyl)-5-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione","","- C11 H16 N2 O2 S -","- C11 H16 N2 O2 S -","- C44 H64 N8 O8 S4 -","4","1","DX2002","Gelbrich, Thomas; Griesser, Ulrich J.","Buthalital and methitural - 5,5-substituted derivatives of 2-thio-barbituric acid forming the same type of hydrogen-bonded chain.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1908","1912","10.1107/S205698901701653X","","","0.71073","MoKα","","0.0736","0.0452","","","0.0968","0.1076","","","","","","1.042","","","","has coordinates","245967","2020-10-21","18:00:00",""
"2311541","15.1873","0.0002","9.092","0.0001","20.8684","0.0003","90","","96.083","0.001","90","","2865.34","0.06","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Methitural (Neraval, Thiogenal)","5-(1-Methylbutyl)-5-[2-(methylsulfanyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","- C12 H20 N2 O2 S2 -","- C12 H20 N2 O2 S2 -","- C96 H160 N16 O16 S16 -","8","1","DX2002","Gelbrich, Thomas; Griesser, Ulrich J.","Buthalital and methitural - 5,5-substituted derivatives of 2-thio-barbituric acid forming the same type of hydrogen-bonded chain.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1908","1912","10.1107/S205698901701653X","","","0.71073","MoKα","","0.0417","0.0384","","","0.0818","0.0836","","","","","","1.142","","","","has coordinates","245967","2020-10-21","18:00:00",""
"2311542","8.8803","0.0007","10.0871","0.0008","11.7586","0.001","97.298","0.002","98.464","0.002","98.234","0.002","1019.21","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","cis-1-Phenyl-8-(pyridin-2-ylmethyl)dibenzo[1,2-c:2,1-h]-2,14-dioxa-8-aza-1-borabicyclo[4.4.0]deca-3,8-diene","","- C26 H23 B N2 O2 -","- C26 H23 B N2 O2 -","- C52 H46 B2 N4 O4 -","2","1","RZ5224","Ledesma, Gabriela; Signorella, Sandra; Back, Davi; Schulz Lang, Ernesto","Crystal structure of cis-1-phenyl-8-(pyridin-2-ylmeth-yl)dibenzo[1,2-c:2,1-h]-2,14-dioxa-8-aza-1-borabi-cyclo-[4.4.0]deca-3,8-diene.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1917","1920","10.1107/S2056989017016553","","","0.71073","MoKα","","0.1478","0.0591","","","","0.1153","","","","","","0.924","","","","has coordinates","245968","2020-10-21","18:00:00",""
"2311543","13.5411","0.0004","7.7421","0.0002","19.2457","0.0005","90","","130.493","0.002","90","","1534.4","0.09","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,6,6-Trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-aminium chloride","","- C15 H19 Cl N4 O -","- C15 H19 Cl N4 O -","- C60 H76 Cl4 N16 O4 -","4","1","EB2002","Mishnev, Anatoly; Mengots, Alvis; Turks, Māris","Crystal structure of 3,6,6-trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetra-hydro-1H-indazol-7-aminium chloride and its monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1931","1936","10.1107/S205698901701667X","","","0.71073","MoKα","","0.0623","0.0427","","","0.093","0.1012","","","","","","1.032","","","","has coordinates","245969","2020-10-21","18:00:00",""
"2311544","10.1855","0.0002","7.4951","0.0002","20.7961","0.0004","90","","100.545","0.001","90","","1560.79","0.06","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,6,6-Trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-7-aminium chloride monohydrate","","- C15 H21 Cl N4 O2 -","- C15 H21 Cl N4 O2 -","- C60 H84 Cl4 N16 O8 -","4","1","EB2002","Mishnev, Anatoly; Mengots, Alvis; Turks, Māris","Crystal structure of 3,6,6-trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetra-hydro-1H-indazol-7-aminium chloride and its monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1931","1936","10.1107/S205698901701667X","","","0.71073","MoKα","","0.0529","0.0387","","","0.0941","0.1022","","","","","","1.059","","","","has coordinates","245969","2020-10-21","18:00:00",""
"2311545","8.9799","0.0004","8.9799","0.0004","32.555","0.003","90","","90","","90","","2625.2","0.3","100","2","100","2","","","","","","","","7","I -4","I -4","82","","Bis{μ~2~-2,2'-[(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(methylene)]bis(4-oxo-4H-pyran-3-olato)}dicobaltcalcium bis(perchlorate) 1.36-hydrate","","- C44 H60 Ca Cl2 Co2 N8 O21.36 -","- C44 H60 Ca Cl2 Co2 N8 O21.36 -","- C88 H120 Ca2 Cl4 Co4 N16 O42.72 -","2","0.25","XI2003","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Giorgi, Luca; Formica, Mauro; Fusi, Vieri","Crystal structure of bis-{μ2-2,2'-[(4,10-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane-1,7-di-yl)bis(meth-yl-ene)]bis-(4-oxo-4H-pyran-3-olato)}dicobalt-calcium bis-(perchlorate) 1.36-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1959","1965","10.1107/S2056989017016693","","","0.71073","MoKα","","0.0888","0.0427","","","0.073","0.0814","","","","","","0.858","","","","has coordinates","245970","2020-10-21","18:00:00",""
"2311546","12.5753","0.0002","14.4054","0.0003","14.8668","0.0003","117.068","0.0005","101.934","0.0006","97.2102","0.0006","2270.58","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","mer-Tris{2,6-difluoro-3-[5-(2-fluorophenyl)pyridin-2-yl-κN]pyridin-4-yl-κC^4^}iridium(III) dichloromethane hemisolvate n-hexane hemisolvate","","- C54.5 H41 Cl F6 Ir N6 -","- C54.5 H41 Cl F6 Ir N6 -","- C109 H82 Cl2 F12 Ir2 N12 -","2","1","","Kang, Youngjin; Park, Ki-Min; Kim, Jinho","Crystal structure of mer-tris-{2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)pyridin-2-yl-κN]pyridin-4-yl-κC4}iridium(III) di-chloro-methane hemisolvate n-hexane hemisolvate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1952","1955","10.1107/S2056989017016759","","","0.71073","MoKα","","0.0342","0.0302","","","0.0778","0.0801","","","","","","1.038","","","","has coordinates","245971","2020-10-21","18:00:00",""
"2311547","12.9597","0.0012","31.548","0.003","3.8219","0.0004","90","","90","","90","","1562.6","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O6 -","- C20 H14 O6 -","- C80 H56 O24 -","4","0.5","SU5407","Solomos, Marina A.; Bertke, Jeffery A.; Swift, Jennifer A.","Crystal structure of a di-aryl carbonate: 1,3-phenyl-ene bis-(phenyl carbonate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1942","1945","10.1107/S2056989017016772","","","0.71073","MoKα","","0.0476","0.0395","","","0.0891","0.0925","","","","","","1.164","","","","has coordinates","245972","2020-10-21","18:00:00",""
"2311548","6.689","0.005","13.809","0.005","10.62","0.005","90","","101.271","0.005","90","","962","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,2':6',2''-Terpyridine-1,1',1''-triium tetrachloridonickelate(II) chloride","","","- C15 H14 Cl5 N3 Ni -","- C15 H14 Cl5 N3 Ni -","- C30 H28 Cl10 N6 Ni2 -","2","1","ZS2392","Zeghouan, Ouahida; Bendjeddou, Lamia; Merazig, Hocine; Daran, Jean Claude","Crystal structure, thermal and fluorescence properties of 2,2':6',2''-terpyridine-1,1',1''-triium tetra-chlorido-nickelate(II) chloride.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1937","1941","10.1107/S2056989017016784","","","0.71073","MoKα","","0.0899","0.0585","","","0.1309","0.1495","","","","","","1.148","","","","has coordinates","245973","2020-10-21","18:00:00",""
"2311549","7.867","0.001","10.34","0.001","10.997","0.002","84.96","0.01","75.46","0.01","81.13","0.01","854.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(E)-N-{2-[2-(2-Chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H16 Cl N3 O3 S -","- C16 H16 Cl N3 O3 S -","- C32 H32 Cl2 N6 O6 S2 -","2","1","RZ5225","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structures of three ortho-substituted N-acyl-hydrazone derivatives.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1946","1951","10.1107/S2056989017016814","","","0.71073","MoKα","","0.0873","0.0624","","","0.1174","0.1312","","","","","","1.293","","","","has coordinates","245974","2020-10-21","18:00:00",""
"2311550","7.984","0.001","10.32","0.002","11.081","0.002","85.17","0.01","74.89","0.01","81.14","0.01","870","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-N-{2-[2-(2-Methylbenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C17 H19 N3 O3 S -","- C17 H19 N3 O3 S -","- C34 H38 N6 O6 S2 -","2","1","RZ5225","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structures of three ortho-substituted N-acyl-hydrazone derivatives.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1946","1951","10.1107/S2056989017016814","","","0.71073","MoKα","","0.0941","0.0533","","","0.1195","0.1411","","","","","","1.048","","","","has coordinates","245974","2020-10-21","18:00:00",""
"2311551","8.006","0.001","10.229","0.001","11.181","0.002","83.76","0.01","72.86","0.01","82.13","0.01","864.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-N-{2-[2-(2-Nitrobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H16 N4 O5 S -","- C16 H16 N4 O5 S -","- C32 H32 N8 O10 S2 -","2","1","RZ5225","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structures of three ortho-substituted N-acyl-hydrazone derivatives.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1946","1951","10.1107/S2056989017016814","","","0.71073","MoKα","","0.0897","0.0566","","","0.1151","0.131","","","","","","1.155","","","","has coordinates,has disorder","245974","2020-10-21","18:00:00",""
"2311552","21.7698","0.0004","10.7768","0.0002","22.2272","0.0004","90","","90","","90","","5214.7","0.17","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Hexakis(μ-benzoato-κ^2^O:O')bis(pyridine-3-carbonitrile-κN^1^)trizinc(II)","","- C54 H38 N4 O12 Zn3 -","- C54 H38 N4 O12 Zn3 -","- C216 H152 N16 O48 Zn12 -","4","0.5","NK2240","Hökelek, Tuncer; Özbek, Elif; Sertçelik, Mustafa; Şahin Yenice, Çiğdem; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of hexa-kis-(μ-benzoato-κ2O:O')bis-(pyridine-3-carbo-nitrile-κN1)trizinc(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1966","1970","10.1107/S2056989017016899","","","0.71073","MoKα","","0.0836","0.0605","","","0.1219","0.1357","","","","","","1.252","","","","has coordinates","245975","2020-10-21","18:00:00",""
"2311553","8.804","0.0018","15.804","0.003","18.266","0.004","90","","98.78","0.03","90","","2511.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diethyl 3,3'-[(4-nitrophenyl)methylene]bis(1H-indole-2-carboxylate)","","- C29 H25 N3 O6 -","- C29 H25 N3 O6 -","- C116 H100 N12 O24 -","4","1","XU5911","Sun, Hong-Shun; Li, Yu-Long; Jiang, Hong; Chen, Yu-Liang; Hu, Ya-Di","Crystal structure of diethyl 3,3'-[(4-nitro-phen-yl)methyl-ene]bis-(1H-indole-2-carboxyl-ate).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1956","1958","10.1107/S2056989017016929","","","0.71073","MoKα","","0.0957","0.0591","","","0.1454","0.1643","","","","","","1","","","","has coordinates","245976","2020-10-21","18:00:00",""
"2311554","7.9474","0.0003","27.3202","0.0009","6.3886","0.0002","90","","103.903","0.003","90","","1346.48","0.08","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4,4-Difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacen-3-yl)propanoic acid","","- C14 H15 B F2 N2 O2 -","- C14 H15 B F2 N2 O2 -","- C56 H60 B4 F8 N8 O8 -","4","1","IS5481","Kato, Takuma; Doi, Mitsunobu","Crystal structure of 3-(4,4-di-fluoro-5,7-dimethyl-4-bora-3a,4a-di-aza-s-indacen-3-yl)propanoic acid.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1974","1976","10.1107/S2056989017016942","","","1.54184","CuKα","","0.0376","0.0352","","","0.0917","0.093","","","","","","1.055","","","","has coordinates","245977","2020-10-21","18:00:00",""
"2311555","10.06","0.002","8.2538","0.0017","13.536","0.003","90","","104.479","0.01","90","","1088.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-[5-(2-hydroxyphenyl)-2H-tetrazol-2-yl]acetate","","- C10 H10 N4 O3 -","- C10 H10 N4 O3 -","- C40 H40 N16 O12 -","4","1","","Lee, Seul Gi; Ryu, Ji Yeon; Lee, Junseong","Crystal structure of methyl 2-[5-(2-hy-droxy-phen-yl)-2H-tetra-zol-2-yl]acetate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1971","1973","10.1107/S205698901701698X","","","0.71073","MoKα","","0.1242","0.0565","","","0.11","0.1367","","","","","","1.015","","","","has coordinates,has disorder","245978","2020-10-21","18:00:00",""
"2311556","13.8416","0.0009","7.7686","0.0004","16.4076","0.0013","90","","111.845","0.009","90","","1637.6","0.2","200.05","0.1","200.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[tetraaquairon(II)]-trans-μ-1,2-bis(pyridin-4-yl)ethene-κ^2^N:N'] bis(p-toluenesulfonate) methanol disolvate]","","- C28 H40 Fe N2 O12 S2 -","- C28 H40 Fe N2 O12 S2 -","- C56 H80 Fe2 N4 O24 S4 -","2","0.5","XU5910","Hiiuk, Volodymyr M.; Barakhty, Diana D.; Shova, Sergiu; Polunin, Ruslan A.; Gural'skiy, Il'ya A.","Crystal structure of catena-poly[[[tetra-aqua-iron(II)]-trans-μ-1,2-bis-(pyridin-4-yl)ethene-κ2N:N'] bis-(p-toluene-sulfonate) methanol disolvate].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1977","1980","10.1107/S2056989017017054","","","0.71073","MoKα","","0.0523","0.0407","","","0.091","0.0973","","","","","","1.063","","","","has coordinates","245979","2020-10-21","18:00:00",""
"2312016","5.4475","0.0005","22.545","0.002","5.5411","0.0005","90","","95.446","0.002","90","","677.45","0.11","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","Silver(I) L-valine","catena-Poly[silver(I)-μ-L-valinato-κ^2^N:O]","","- C5 H10 Ag N O2 -","- C5 H10 Ag N O2 -","- C20 H40 Ag4 N4 O8 -","4","2","IS5463","Takagi, Yoshitaka; Okamoto, Youhei; Inoue, Chisato; Kasuga, Noriko Chikaraishi; Nomiya, Kenji","Crystal structure of catena-poly[silver(I)-μ-l-valinato-κ2N:O].","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 3","354","357","10.1107/S2056989017001815","","","0.71073","MoKα","","0.0222","0.022","","","0.0539","0.054","","","","","","1.154","","","","has coordinates","246243","2020-10-21","18:00:00",""
"2312017","12.9336","0.0004","14.5249","0.0004","19.9141","0.0005","90","","90","","90","","3741.05","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis{(S)-2-[(2-hydroxybenzyl)amino]-4-methylpentanoato-κ^2^N,O}(1,10-phenanthroline-κ^2^N,N')nickel(II)","","- C38 H44 N4 Ni O6 -","- C38 H44 N4 Ni O6 -","- C152 H176 N16 Ni4 O24 -","4","1","IM2482","Faizi, Md Serajul Haque; Dege, Necmi; Malinkin, Sergey","Crystal structure and DFT study of bis-{(S)-2-[(2-hy-droxy-benzyl)-amino]-4-methyl-penta-noato-κ2N,O}(1,10-phenanthroline-κ2N,N')nickel(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1393","1397","10.1107/S2056989017012014","","","0.71073","MoKα","","0.0702","0.0432","","","0.1177","0.133","","","","","","0.948","","","","has coordinates,has Fobs","246247","2020-10-21","18:00:00",""
"2312018","9.0998","0.0008","9.3544","0.001","15.508","0.002","84.176","0.001","75.54","0.008","61.067","0.006","1118.4","0.2","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","{μ~2~-N,N'-bis[(pyridin-3-yl)methyl]ethanediamide}tetrakis(dimethylcarbamodithioato)dizinc(II) dimethylformamide disolvate","","- C32 H52 N10 O4 S8 Zn2 -","- C32 H52 N10 O4 S8 Zn2 -","- C32 H52 N10 O4 S8 Zn2 -","1","0.5","HB7704","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","Crystal structures of {μ2-N,N'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-methyl-carbamodi-thio-ato)dizinc(II) di-methyl-formamide disolvate and {μ2-N,N'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-n-propyl-carbamodi-thio-ato)dizinc(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1501","1507","10.1107/S2056989017012956","","","0.71073","MoKα","","0.0323","0.031","","","0.0824","0.0839","","","","","","1.049","","","","has coordinates,has Fobs","246248","2020-10-21","18:00:00",""
"2312019","31.048","0.004","16.923","0.002","10.3453","0.0014","90","","100.361","0.002","90","","5347","1.2","98","2","98","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{μ~2~-N,N'-Bis[(pyridin-3-yl)methyl]ethanediamide}tetrakis(di-n-propylcarbamodithioato)dizinc(II)","","- C42 H70 N8 O2 S8 Zn2 -","- C42 H70 N8 O2 S8 Zn2 -","- C168 H280 N32 O8 S32 Zn8 -","4","0.5","HB7704","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","Crystal structures of {μ2-N,N'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-methyl-carbamodi-thio-ato)dizinc(II) di-methyl-formamide disolvate and {μ2-N,N'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-n-propyl-carbamodi-thio-ato)dizinc(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1501","1507","10.1107/S2056989017012956","","","0.71073","MoKα","","0.0362","0.0329","","","0.0755","0.0773","","","","","","1.087","","","","has coordinates,has Fobs","246248","2020-10-21","18:00:00",""
"2312020","6.2899","0.0013","15.167","0.003","17.938","0.004","90","","90","","90","","1711.3","0.6","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(Dibenzofuran-4-yl)-2'-deoxyuridine","","- C21 H18 N2 O6 -","- C21 H18 N2 O6 -","- C84 H72 N8 O24 -","4","1","DS2247","Gayakhe, Vijay; Kapdi, Anant Ramakant; Borozdina, Yulia; Schulzke, Carola","Crystal structure of 5-(dibenzo-furan-4-yl)-2'-deoxy-uridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1493","1496","10.1107/S2056989017013111","","","0.71073","MoKα","","0.0848","0.057","","","0.1291","0.1434","","","","","","0.962","","","","has coordinates,has Fobs","246249","2020-10-21","18:00:00",""
"2312021","5.95","0.0002","6.765","0.0002","8.4363","0.0003","90","","96.746","0.002","90","","337.225","0.019","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2'-Bipyrrole","","- C8 H8 N2 -","- C8 H8 N2 -","- C16 H16 N4 -","2","0.5","HB7692","Michaels, Christopher A.; Zakharov, Lev N.; Lamm, Ashley N.","Crystal structure of 2,2'-bi-pyrrole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1517","1519","10.1107/S2056989017013433","","","1.54178","CuKα","","0.0367","0.0337","","","0.0947","0.0981","","","","","","1.078","","","","has coordinates,has Fobs","246250","2020-10-21","18:00:00",""
"2312022","11.0965","0.0011","19.12","0.002","7.5453","0.0008","90","","91.0813","0.0019","90","","1600.6","0.3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Dimethylaminopyridinium dimethylammonium tetrachloridolead(II)","","- C9 H19 Cl4 N3 Pb -","- C9 H19 Cl4 N3 Pb -","- C36 H76 Cl16 N12 Pb4 -","4","0.5","NR2065","Benson, Cassidy A.; Bateman, Gage; Cox, Jordan M.; Benedict, Jason B.","Hybrid organic-inorganic crystal structure of 4-(di-methyl-amino)-pyridinium di-methyl-ammonium tetra-chlorido-lead(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1670","1673","10.1107/S2056989017014062","","","0.71073","MoKα","","0.0136","0.013","","","0.0332","0.0335","","","","","","1.036","","","","has coordinates,has Fobs","246251","2020-10-21","18:00:00",""
"2312023","7.66978","0.00018","8.7286","0.00013","23.7524","0.0004","90","","98.7356","0.0016","90","","1571.69","0.05","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","","4,6-Dimethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-\ 2H-pyran-2-yl]sulfanyl}nicotinonitrile","","- C14 H18 N2 O5 S -","- C14 H18 N2 O5 S -","- C56 H72 N8 O20 S4 -","4","1","QM2120","Masoud, Doaa M.; Hammad, Sherif F.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 4,6-dimethyl-2-{[3,4,5-trihy-droxy-6-(hy-droxy-meth-yl)tetra-hydro-2H-pyran-2-yl]sulfan-yl}nicotino-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1751","1754","10.1107/S2056989017015213","","","0.71073","MoKα","","0.0256","0.0241","","","0.0621","0.0631","","","","","","1.054","","","","has coordinates,has Fobs","246252","2020-10-21","18:00:00",""