# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T13:18:40+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') AND volume = 72 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
"1544027","13.538","0.004","5.123","0.0018","30.167","0.01","90","","95.968","0.009","90","","2080.9","1.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(3-Chlorothiophene-2-carboxylic acid); 4,4'-bipyridine","","- C20 H14 Cl2 N2 O4 S2 -","- C20 H14 Cl2 N2 O4 S2 -","- C80 H56 Cl8 N8 O16 S8 -","4","0.5","HG5476","Prajina, Olakkandiyil; Thomas Muthiah, Packianathan; Geiger, David K.","Supramolecular interactions in the 1:2 co-crystal of 4,4'-bipyridine and 3-chlorothiophene-2-carboxylic acid","Acta Crystallographica Section E","2016","72","10","1362","1365","10.1107/S2056989016013724","","","0.71073","MoKα","","0.0692","0.0545","","","0.131","0.1358","","","","","","1.194","","","","has coordinates,has Fobs","187992","2020-10-21","18:00:00",""
"2020308","15.1305","0.0007","14.2921","0.0006","11.6939","0.0005","90","","117.37","0.002","90","","2245.69","0.17","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[N,N,N',N'-tetramethylguanidinium [(chloridocadmate)-di-μ-chlorido]]","","- C5 H14 Cd Cl3 N3 -","- C5 H14 Cd Cl3 N3 -","- C40 H112 Cd8 Cl24 N24 -","8","1","WM5207","Ndiaye, Mamadou; Samb, Abdoulaye; Diop, Libasse; Maris, Thierry","Crystal structure of catena-poly[N,N,N',N'-tetramethylguanidinium [(chloridocadmate)-di-μ-chlorido]]","Acta Crystallographica Section E","2016","72","1","1","3","10.1107/S2056989015020836","","","1.34139","GaKα","","0.0165","0.0164","","","0.0396","0.0397","","","","","","1.129","","","","has coordinates,has Fobs","176644","2020-10-21","18:00:00",""
"2020387","12.0962","0.0003","7.87839","0.00017","20.4041","0.0004","90","","94.829","0.002","90","","1937.58","0.07","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(nitrato-κO)dioxido{2-[3-(pyridin-2-yl-κN)-1H-1,2,4-triazol-5-yl-κN^4^]phenolato-κO}uranium(VI) acetonitrile monosolvate monohydrate","","- C15 H16 N6 O8 U -","- C15 H16 N6 O8 U -","- C60 H64 N24 O32 U4 -","4","1","","Vashchenko, Oleksandr; Raspertova, Ilona; Dyakonenko, Viktoriya; Shishkina, Svitlana; Khomenko, Dmytro; Doroschuk, Roman; Lampeka, Rostislav","Crystal structure of aqua(nitrato-κO)dioxido{2-[3-(pyridin-2-yl-κN)-1H-1,2,4-triazol-5-yl-κN^4^]phenolato-κO}uranium(VI) acetonitrile monosolvate monohydrate","Acta Crystallographica Section E","2016","72","2","111","113","10.1107/S205698901502438X","","","0.71073","MoKα","","0.0353","0.0287","","","0.0611","0.0635","","","","","","1.045","","","","has coordinates,has Fobs","177479","2020-10-21","18:00:00",""
"2020412","6.5063","0.0002","10.5966","0.0003","13.2066","0.0004","105.951","0.001","92.065","0.001","96.55","0.001","867.59","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","Bis(1,4-diazabicyclo[2.2.2]octan-1-ium) thiosulfate dihydrate","","- C12 H30 N4 O5 S2 -","- C12 H30 N4 O5 S2 -","- C24 H60 N8 O10 S4 -","2","1","WM5264","Seck, Gorgui Awa; Sene, Aboubacary; Diop, Libasse; Maris, Thierry","Crystal structure of bis(1,4-diazabicyclo[2.2.2]octan-1-ium) thiosulfate dihydrate","Acta Crystallographica Section E","2016","72","3","273","275","10.1107/S2056989016001535","","","1.34139","GaKα","","0.03","0.0294","","","0.0783","0.0791","","","","","","1.066","","","","has coordinates,has Fobs","181476","2020-10-21","18:00:00",""
"2020428","21.4036","0.0008","5.7673","0.0002","19.5525","0.0007","90","","92.135","0.001","90","","2411.9","0.15","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N-(3-Fluorobenzoyl)benzenesulfonamide","","- C13 H10 F N O3 S -","- C13 H10 F N O3 S -","- C104 H80 F8 N8 O24 S8 -","8","1","HB7565","Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Lakshmikantha, H. N.; Srivishnu, K. S.; Supriya, G. M.","Crystal structures of N-(3-fluorobenzoyl)benzenesulfonamide and N-(3-fluorobenzoyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2016","72","4","428","431","10.1107/S2056989016003248","","","1.54178","CuKα","","0.044","0.0419","","","0.1289","0.1332","","","","","","0.98","","","","has coordinates,has Fobs","182547","2020-10-21","18:00:00",""
"2020429","9.0376","0.0004","12.2912","0.0005","12.1377","0.0005","90","","105.107","0.002","90","","1301.7","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(3-Fluorobenzoyl)-4-methylbenzenesulfonamide","","- C14 H12 F N O3 S -","- C14 H12 F N O3 S -","- C56 H48 F4 N4 O12 S4 -","4","1","HB7565","Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Lakshmikantha, H. N.; Srivishnu, K. S.; Supriya, G. M.","Crystal structures of N-(3-fluorobenzoyl)benzenesulfonamide and N-(3-fluorobenzoyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2016","72","4","428","431","10.1107/S2056989016003248","","","1.54178","CuKα","","0.0575","0.0499","","","0.1459","0.1517","","","","","","1.052","","","","has coordinates,has Fobs","182547","2020-10-21","18:00:00",""
"2020453","14.9328","0.0002","6.01143","0.0001","33.9985","0.0007","90","","102.601","0.0017","90","","2978.45","0.09","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-(+)-2-{[(1-Phenylethyl)imino]methyl}naphthalene","","- C19 H17 N -","- C19 H17 N -","- C152 H136 N8 -","8","4","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.0543","0.0392","","","0.0829","0.092","","","","","","1.036","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020454","6.0946","0.0005","7.5732","0.0005","34.046","0.003","90","","90","","90","","1571.4","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-(+)-2-({[(4-Methylphenyl)ethyl]imino}methyl)naphthalene","","- C20 H19 N -","- C20 H19 N -","- C80 H76 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.068","0.0443","","","0.1002","0.1117","","","","","","1.076","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020455","6.1094","0.0005","7.7266","0.0007","34.225","0.004","90","","90","","90","","1615.6","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-(‒)-2-({[(4-Methoxylphenyl)ethyl]imino}methyl)naphthalene","","- C20 H19 N O -","- C20 H19 N O -","- C80 H76 N4 O4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.132","0.0628","","","0.1222","0.1546","","","","","","1.081","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020456","7.595","0.0011","5.8997","0.0009","16.996","0.003","90","","99.42","0.015","90","","751.3","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(‒)-2-({[(4-Fluorophenyl)ethyl]imino}methyl)naphthalene","","- C19 H16 F N -","- C19 H16 F N -","- C38 H32 F2 N2 -","2","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.1136","0.0655","","","0.1352","0.153","","","","","","1.252","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020457","6.0567","0.0005","7.6139","0.0005","33.853","0.003","90","","90","","90","","1561.1","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-(+)-2-({[(4-Chlorophenyl)ethyl]imino}methyl)naphthalene","","- C19 H16 Cl N -","- C19 H16 Cl N -","- C76 H64 Cl4 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.0811","0.0567","","","0.1246","0.1386","","","","","","1.068","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020458","6.0526","0.0002","7.6671","0.0004","33.9712","0.0019","90","","90","","90","","1576.46","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-(+)-2-({[(4-Bromophenyl)ethyl]imino}methyl)naphthalene","","- C19 H16 Br N -","- C19 H16 Br N -","- C76 H64 Br4 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.0837","0.044","","","0.0832","0.0979","","","","","","1.02","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020459","7.8555","0.0005","7.8724","0.0004","14.0494","0.0009","90","","99.859","0.006","90","","856.01","0.09","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-(+)-2-({[1-(Naphthalen-1-yl)ethyl]imino}methyl)naphthalene","","- C23 H19 N -","- C23 H19 N -","- C46 H38 N2 -","2","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.098","0.0481","","","0.0958","0.1185","","","","","","1.013","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020460","15.406","0.003","5.9722","0.0007","36.002","0.007","90","","102.058","0.018","90","","3239.4","1","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-(+)-2-{[(1-Cyclohexylethyl)imino]methyl}naphthalene","","- C19 H23 N -","- C19 H23 N -","- C152 H184 N8 -","8","4","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.1929","0.0782","","","0.1573","0.2306","","","","","","0.993","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020461","7.7571","0.0013","5.9246","0.001","17.82","0.004","90","","92.682","0.016","90","","818.1","0.3","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S)-(‒)-2-{[(1,2,3,4-Tetrahydronaphthalen-1-yl)imino]methyl}naphthalene","","- C21 H19 N -","- C21 H19 N -","- C42 H38 N2 -","2","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.7107","MoKα","","0.108","0.0691","","","0.1566","0.1751","","","","","","1.442","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020462","6.32427","0.00018","14.4559","0.0003","18.5421","0.0005","90","","90","","90","","1695.17","0.08","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-2-({[(1S,2S,3S,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-3-yl]imino}methyl}naphthalene","","- C21 H25 N -","- C21 H25 N -","- C84 H100 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.0526","0.0407","","","0.0956","0.1032","","","","","","1.034","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020463","6.307","0.0007","14.9614","0.0018","8.9198","0.0011","90","","93.457","0.001","90","","840.15","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Amino-4-hydroxy-6-oxocyclohexa-2,4-dien-1-iminium chloride monohydrate","","- C6 H9 Cl N2 O3 -","- C6 H9 Cl N2 O3 -","- C24 H36 Cl4 N8 O12 -","4","1","SJ5497","Plater, M. John; Harrison, William T. A.","A purple odyssey: synthesis and structure of 3-amino-4-hydroxy-6-oxocyclohexa-2,4-dien-1-iminium chloride monohydrate","Acta Crystallographica Section E","2016","72","5","604","607","10.1107/S2056989016005107","","","0.71073","MoKα","","0.082","0.0721","","","0.1546","0.1586","","","","","","1.222","","","","has coordinates,has Fobs","183646","2020-10-21","18:00:00",""
"2020500","9.3079","0.0017","9.4339","0.0017","15.195","0.003","90","","107.835","0.002","90","","1270.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methyl-1Himidazol-3-ium picrate","4-Methyl-1H-imidazol-3-ium 2,4,6-trinitrophenolate","","- C10 H9 N5 O7 -","- C10 H9 N5 O7 -","- C40 H36 N20 O28 -","4","1","LH5809","Song, Xue-gang; Su, Ping; Xu, Xing-man","Hydrogen-bonded network in the salt 4-methyl-1H-imidazol-3-ium picrate","Acta Crystallographica Section E Crystallographic Communications","2016","72","6","772","","10.1107/S205698901600712X","","","0.71073","MoKα","","0.0866","0.0524","","","0.1022","0.1103","","","","","","1.035","","","","has coordinates,has Fobs","182568","2020-10-21","18:00:00",""
"2020523","12.8263","0.0009","7.1879","0.0003","12.2478","0.0009","90","","98.936","0.006","90","","1115.47","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-thiocyanato-bis[diamminesilver(I)]","","- C2 H12 Ag2 N6 S2 -","- C2 H12 Ag2 N6 S2 -","- C8 H48 Ag8 N24 S8 -","4","0.5","WM5294","Müller, Thomas G.; Kraus, Florian","Crystal structure of Ag~2~(μ-SCN)~2~(NH~3~)~4~","Acta Crystallographica Section E","2016","72","7","881","883","10.1107/S2056989016008823","","","0.71073","MoKα","","0.0315","0.0289","","","0.0598","0.061","","","","","","1.107","","","","has coordinates,has Fobs","185024","2020-10-21","18:00:00",""
"2020548","12.7038","0.0001","16.5265","0.0002","16.683","0.0002","90","","109.774","0.001","90","","3296.05","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Diaquahexakis(μ-4-chloropyrazolato-κ^2^N:N')bis(N,N-dimethylformamide)di-μ~3~-hydroxido-bis(μ~4~-sulfato-κ^4^O:O':O'':O'')hexacopper(II) N,N-dimethylformamide tetrasolvate dihydrate","","- C36 H64 Cl6 Cu6 N18 O20 S2 -","- C36 H64 Cl6 Cu6 N18 O20 S2 -","- C72 H128 Cl12 Cu12 N36 O40 S4 -","2","0.5","GK2663","Mezei, Gellert","Sulfate-bridged dimeric trinuclear copper(II)‒pyrazolate complex with three different terminal ligands","Acta Crystallographica Section E Crystallographic Communications","2016","72","8","1064","","10.1107/S2056989016010719","","","0.71073","MoKα","","0.0595","0.0351","","","0.0672","0.0751","","","","","","1.014","","","","has coordinates,has Fobs","184289","2020-10-21","18:00:00",""
"2020595","16.6906","0.0014","9.1942","0.0008","21.0159","0.0017","90","","95.501","0.002","90","","3210.2","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[dichloridomercury(II)]-μ-N- (pyridin-4-ylmethyl)pyridin-3-amine-κ^2^N:N'] chloroform hemisolvate]","","- C11.5 H11.5 Cl3.5 Hg N3 -","- C11.5 H11.5 Cl3.5 Hg N3 -","- C92 H92 Cl28 Hg8 N24 -","8","1","","Moon, Suk-Hee; Kang, Donghyun; Park, Ki-Min","Crystal structure of an Hg^II^ coordination polymer with an unsymmetrical dipyridyl ligand: catena-poly[[[dichloridomercury(II)]-μ-N-(pyridin-4-ylmethyl)pyridin-3-amine-κ^2^N:N'] chloroform hemisolvate]","Acta Crystallographica Section E","2016","72","11","1513","1516","10.1107/S2056989016015310","","","0.71073","MoKα","","0.0626","0.0328","","","0.0658","0.0735","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","188958","2020-10-21","18:00:00",""
"2020650","7.3989","0.0005","24.491","0.0017","7.7126","0.0005","90","","96.022","0.002","90","","1389.86","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N-Methyl-N'-(2-nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazide","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C56 H52 N12 O12 S4 -","4","1","HG5478","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Lancaster, Shaun T.; Harrison, William T. A.","Different weak interactions in the crystals of three isomeric (E)-N-methyl-N'-(nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazides","Acta Crystallographica Section E","2016","72","12","1677","1682","10.1107/S2056989016016856","","","0.71073","MoKα","","0.0569","0.0406","","","0.0987","0.1056","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","189974","2020-10-21","18:00:00",""
"2020651","5.6629","0.0004","15.6864","0.0011","15.2842","0.0011","90","","93.38","0.0018","90","","1355.34","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-N-Methyl-N'-(3-nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazide","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C56 H52 N12 O12 S4 -","4","1","HG5478","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Lancaster, Shaun T.; Harrison, William T. A.","Different weak interactions in the crystals of three isomeric (E)-N-methyl-N'-(nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazides","Acta Crystallographica Section E","2016","72","12","1677","1682","10.1107/S2056989016016856","","","0.71073","MoKα","","0.0374","0.0335","","","0.0931","0.0955","","","","","","1.08","","","","has coordinates,has Fobs","189974","2020-10-21","18:00:00",""
"2020652","6.1893","0.0004","12.9177","0.0009","17.3828","0.0012","93.995","0.007","90.386","0.006","95.963","0.007","1378.77","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(E)-N-Methyl-N'-(4-nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazide","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C56 H52 N12 O12 S4 -","4","2","HG5478","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Kaiser, Carlos R.; Wardell, James L.; de Souza, Marcus V. N.; Lancaster, Shaun T.; Harrison, William T. A.","Different weak interactions in the crystals of three isomeric (E)-N-methyl-N'-(nitrobenzylidene)-2-(thiophen-2-yl)acetohydrazides","Acta Crystallographica Section E","2016","72","12","1677","1682","10.1107/S2056989016016856","","","0.71073","MoKα","","0.0724","0.0575","","","0.1517","0.1657","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","189974","2020-10-21","18:00:00",""
"2241378","18.0213","0.0005","19.4619","0.0006","13.8664","0.0004","90","","102.205","0.001","90","","4753.4","0.2","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis(heptafluorobutanoato-κO)(1,10'-phenanthroline-κ^2^N,N')copper(II)","","- C20 H10 Cu F14 N2 O5 -","- C20 H10 Cu F14 N2 O5 -","- C160 H80 Cu8 F112 N16 O40 -","8","1","PJ2026","Kani, Ibrahim","Crystal structure of aquabis(heptafluorobutanoato-κO)(1,10'-phenanthroline-κ^2^N,N')copper(II)","Acta Crystallographica Section E","2016","72","1","4","7","10.1107/S2056989015022720","","","0.71073","MoKα","","0.0759","0.0558","","","0.1405","0.1562","","","","","","0.947","","","","has coordinates,has disorder,has Fobs","176645","2020-10-21","18:00:00",""
"2241379","14.7129","0.0011","18.9613","0.0013","11.3031","0.0006","90","","111.632","0.007","90","","2931.2","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 6-(4-methylphenyl)-4-oxo-4H-chromene-2-carboxylate","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","2","","Gomes, Ligia R.; Low, John Nicolson; Fernandes, Carlos; Gaspar, Alexandra; Borges, Fernanda","Crystal structures of ethyl 6-(4-methylphenyl)-4-oxo-4H-chromene-2-carboxylate and ethyl 6-(4-fluorophenyl)-4-oxo-4H-chromene-2-carboxylate","Acta Crystallographica Section E","2016","72","1","8","13","10.1107/S2056989015022781","","","0.71075","MoKα","","0.0505","0.0384","","","0.0983","0.1035","","","","","","1.111","","","","has coordinates,has Fobs","176632","2020-10-21","18:00:00",""
"2241380","3.8521","0.0002","20.697","0.0015","17.5478","0.0011","90","","91.546","0.001","90","","1398.52","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 6-(4-fluorophenyl)-4-oxo-4H-chromene-2-carboxylate","","- C18 H13 F O4 -","- C18 H13 F O4 -","- C72 H52 F4 O16 -","4","1","","Gomes, Ligia R.; Low, John Nicolson; Fernandes, Carlos; Gaspar, Alexandra; Borges, Fernanda","Crystal structures of ethyl 6-(4-methylphenyl)-4-oxo-4H-chromene-2-carboxylate and ethyl 6-(4-fluorophenyl)-4-oxo-4H-chromene-2-carboxylate","Acta Crystallographica Section E","2016","72","1","8","13","10.1107/S2056989015022781","","","0.71075","MoKα","","0.0381","0.0309","","","0.0818","0.0866","","","","","","0.977","","","","has coordinates,has Fobs","176632","2020-10-21","18:00:00",""
"2241381","11.325","0.004","15.101","0.006","18.273","0.007","90","","100.61","0.03","90","","3072","2","133","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Fluorido-bis{(η^4^-cyclooctadiene)[hexafluoridoantimonato(V)-κF]platinum(II)} hexafluoridoantimonate(V) hydrogen fluoride 0.75-solvate","","- C16 H24.75 F19.75 Pt2 Sb3 -","- C16 H24 F19.75 Pt2 Sb3 -","- C64 H96 F79 Pt8 Sb12 -","4","1","WM5233","Seppelt, Konrad; Friedemann, Roland","Crystal structure of μ-fluorido-bis{(η^4^-cyclooctadiene)[hexafluoridoantimonato(V)]platinum(II)} hexafluoridoantimonate(V) hydrogen fluoride 0.75-solvate","Acta Crystallographica Section E","2016","72","1","14","16","10.1107/S2056989015022835","","","0.71073","MoKα","","0.0508","0.0377","","","0.0703","0.0738","","","","","","1.104","","","","has coordinates,has Fobs","176636","2020-10-21","18:00:00",""
"2241382","23.5604","0.0004","7.0367","0.0003","9.5792","0.0004","90","","90","","90","","1588.11","0.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(2,2'-Bipyridine-κ^2^N,N')triiodidomethyltin(IV)","","- C11 H11 I3 N2 Sn -","- C11 H11 I3 N2 Sn -","- C44 H44 I12 N8 Sn4 -","4","1","","Reuter, Hans; Reichelt, Martin","Crystal structure of the coordination compound of triiodidomethyltin(IV) with 2,2'-bipyridine, MeSnI~3~·bipy","Acta Crystallographica Section E","2016","72","1","17","20","10.1107/S2056989015022975","","","0.71073","MoKα","","0.016","0.0157","","","0.0373","0.0374","","","","","","1.207","","","","has coordinates,has Fobs","176646","2020-10-21","18:00:00",""
"2241419","10.997","0.002","7.7489","0.0009","27.852","0.004","90","","90","","90","","2373.4","0.6","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(±)-(3aR,4S,5S,6aS)-4-Methyl-5-phenylhexahydro-1H-cyclopenta[c]furan-4,5-diol","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","1","GK2648","Jones, Alan M.; Storey, John M. D.; Harrison, William T. A.","Investigations into the construction of the pentasubstituted ring C of Neosurugatoxin ‒ a crystallographic study","Acta Crystallographica Section E","2016","72","1","44","48","10.1107/S2056989015023506","","","0.71073","MoKα","","0.1808","0.0945","","","0.126","0.1482","","","","","","1.091","","","","has coordinates,has Fobs","176630","2020-10-21","18:00:00",""
"2241420","12.8872","0.0003","19.3544","0.0006","6.8046","0.0001","90","","92.3907","0.0016","90","","1695.75","0.07","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(±)-(3aR,4S,5S,6aS)-4-Benzyloxy-4-methyl-5-phenylhexahydro-1H-cyclopenta[c]furan-5-ol","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","1","GK2648","Jones, Alan M.; Storey, John M. D.; Harrison, William T. A.","Investigations into the construction of the pentasubstituted ring C of Neosurugatoxin ‒ a crystallographic study","Acta Crystallographica Section E","2016","72","1","44","48","10.1107/S2056989015023506","","","0.71073","MoKα","","0.0801","0.0526","","","0.1197","0.1322","","","","","","1.056","","","","has coordinates,has Fobs","176630","2020-10-21","18:00:00",""
"2241421","5.6392","0.0002","11.0427","0.0005","26.6311","0.0013","90","","90","","90","","1658.37","0.13","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(±)-(1aR,1bS,4aR,5S,5aR)-5-Benzyloxy-5-methyl-5a-phenylhexahydro-2H-oxireno[2',3':3,4]cyclopenta[1,2-c]furan","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","GK2648","Jones, Alan M.; Storey, John M. D.; Harrison, William T. A.","Investigations into the construction of the pentasubstituted ring C of Neosurugatoxin ‒ a crystallographic study","Acta Crystallographica Section E","2016","72","1","44","48","10.1107/S2056989015023506","","","0.71073","MoKα","","0.1399","0.1232","","","0.2713","0.2793","","","","","","1.174","","","","has coordinates,has disorder,has Fobs","176630","2020-10-21","18:00:00",""
"2241422","14.8766","0.0013","29.903","0.003","7.3102","0.0006","90","","90","","90","","3252","0.5","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Bis(diethylammonium) tetrachloridocuprate","","- C8 H24 Cl4 Cu N2 -","- C8 H24 Cl4 Cu N2 -","- C64 H192 Cl32 Cu8 N16 -","8","2","PK2565","Aldrich, Emily P.; Bussey, Katherine A.; Connell, Jennifer R.; Reinhart, Erin F.; Oshin, Kayode D.; Mercado, Brandon Q.; Oliver, Allen G.","Crystal structure of the thermochromic bis(diethylammonium) tetrachloridocuprate(II) complex","Acta Crystallographica Section E","2016","72","1","40","43","10.1107/S2056989015023348","","","0.71073","MoKα","","0.0238","0.0204","","","0.0417","0.0429","","","","","","1.095","","","","has coordinates,has Fobs","176633","2020-10-21","18:00:00",""
"2241423","26.786","0.003","13.3398","0.0013","13.7571","0.0013","90","","105.837","0.001","90","","4729.1","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[tris(nitrato-κ^2^O,O')cerium(III)]-bis(μ-4,4'-bipyridine N,N'-dioxide-κ^2^N:N')]","","- C20 H16 Ce N7 O13 -","- C20 H16 Ce N7 O13 -","- C160 H128 Ce8 N56 O104 -","8","1","WM5242","Stromyer, Michael L.; Lilly, Cassandra P.; Dillner, Adam J.; Knaust, Jacqueline M.","Crystal structures of [Ln(NO~3~)~3~(μ~2~-bpydo)~2~], where Ln = Ce, Pr or Nd, and bpydo = 4,4'-bipyridine N,N'-dioxide: layered coordination networks containing 4^4^ grids","Acta Crystallographica Section E","2016","72","1","25","30","10.1107/S205698901502318X","","","0.71073","MoKα","","0.0218","0.0199","","","0.0493","0.0503","","","","","","1.049","","","","has coordinates,has Fobs","176634","2020-10-21","18:00:00",""
"2241424","26.7416","0.0018","13.3127","0.0009","13.7586","0.0009","90","","105.981","0.001","90","","4708.8","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[tris(nitrato-κ^2^O,O')praeseodymium(III)]-bis(μ-4,4'-bipyridine N,N'-dioxide-κ^2^N:N')]","","- C20 H16 N7 O13 Pr -","- C20 H16 N7 O13 Pr -","- C160 H128 N56 O104 Pr8 -","8","1","WM5242","Stromyer, Michael L.; Lilly, Cassandra P.; Dillner, Adam J.; Knaust, Jacqueline M.","Crystal structures of [Ln(NO~3~)~3~(μ~2~-bpydo)~2~], where Ln = Ce, Pr or Nd, and bpydo = 4,4'-bipyridine N,N'-dioxide: layered coordination networks containing 4^4^ grids","Acta Crystallographica Section E","2016","72","1","25","30","10.1107/S205698901502318X","","","0.71073","MoKα","","0.0229","0.0207","","","0.0511","0.0524","","","","","","1.051","","","","has coordinates,has Fobs","176634","2020-10-21","18:00:00",""
"2241425","26.7422","0.001","13.3035","0.0005","13.7804","0.0005","90","","106.065","0.001","90","","4711.1","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[tris(nitrato-κ^2^O,O')neodymium(III)]-bis(μ-4,4'-bipyridine N,N'-dioxide-κ^2^N:N'}]","","- C20 H16 N7 Nd O13 -","- C20 H16 N7 Nd O13 -","- C160 H128 N56 Nd8 O104 -","8","1","WM5242","Stromyer, Michael L.; Lilly, Cassandra P.; Dillner, Adam J.; Knaust, Jacqueline M.","Crystal structures of [Ln(NO~3~)~3~(μ~2~-bpydo)~2~], where Ln = Ce, Pr or Nd, and bpydo = 4,4'-bipyridine N,N'-dioxide: layered coordination networks containing 4^4^ grids","Acta Crystallographica Section E","2016","72","1","25","30","10.1107/S205698901502318X","","","0.71073","MoKα","","0.1234","0.051","","","0.0557","0.0666","","","","","","1.006","","","","has coordinates,has Fobs","176634","2020-10-21","18:00:00",""
"2241426","9.753","0.005","10.029","0.006","11.099","0.005","106.281","0.004","96.42","0.005","104.913","0.005","987","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl (1RS,6SR)-4-(2-methyl-1H-imidazol-4-yl)-2-oxo-6-(2,3,5-trichlorophenyl)cyclohex-3-ene-1-carboxylate","","- C19 H17 Cl3 N2 O3 -","- C19 H17 Cl3 N2 O3 -","- C38 H34 Cl6 N4 O6 -","2","1","SU5251","Mohan, Billava J.; Sarojini, Balladka K.; Yathirajan, Hemmige S.; Rathore, Ravindranath; Glidewell, Christopher","Crystal structure of ethyl (1RS,6SR)-4-(2-methyl-1H-imidazol-4-yl)-2-oxo-6-(2,3,5-trichlorophenyl)cyclohex-3-ene-1-carboxylate","Acta Crystallographica Section E","2016","72","1","31","34","10.1107/S2056989015023245","","","0.71073","MoKα","","0.0796","0.0498","","","0.119","0.1459","","","","","","1.033","","","","has coordinates,has Fobs","176635","2020-10-21","18:00:00",""
"2241427","8.7477","0.001","13.488","0.002","20.336","0.003","90","","90","","90","","2399.4","0.6","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-Poly[bis(piperazine-1,4-diium) [[tetraiodidoplumbate(II)]-μ-iodido] iodide monohydrate]","","- C8 H26 I6 N4 O Pb -","- C8 H26 I6 N4 O Pb -","- C32 H104 I24 N16 O4 Pb4 -","4","0.5","VN2104","Mokhnache, Oualid; Boughzala, Habib","Crystal structure of a new hybrid compound based on an iodidoplumbate(II) anionic motif","Acta Crystallographica Section E","2016","72","1","56","59","10.1107/S2056989015023786","","","0.71073","MoKα","","0.0663","0.0372","","","0.0775","0.0862","","","","","","1.05","","","","has coordinates,has Fobs","176637","2020-10-21","18:00:00",""
"2241428","14.6408","0.0016","12.9891","0.0014","16.819","0.0018","90","","90","","90","","3198.5","0.6","193","2","193.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis[chloridobis(tri-tert-butylphosphane)zinc]","","- C24 H54 Cl4 P2 Zn2 -","- C24 H54 Cl4 P2 Zn2 -","- C96 H216 Cl16 P8 Zn8 -","4","0.5","PK2569","Finke, Aaron D.; Gray, Danielle L.; Moore, Jeffrey S.","Crystal structures of three complexes of zinc chloride with tri-tert-butylphosphane","Acta Crystallographica Section E","2016","72","1","35","39","10.1107/S2056989015023373","","","0.71073","MoKα","","0.101","0.0449","","","0.0797","0.0985","","","","","","1.003","","","","has coordinates,has Fobs","176638","2020-10-21","18:00:00",""
"2241429","26.458","0.0011","8.9281","0.0004","8.579","0.0004","90","","90","","90","","2026.53","0.16","193","2","193.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","Dichlorido(tetrahydrofuran-κO)(tri-tert-butylphosphane-κP)zinc","","- C16 H35 Cl2 O P Zn -","- C16 H35 Cl2 O P Zn -","- C64 H140 Cl8 O4 P4 Zn4 -","4","1","","Finke, Aaron D.; Gray, Danielle L.; Moore, Jeffrey S.","Crystal structures of three complexes of zinc chloride with tri-tert-butylphosphane","Acta Crystallographica Section E","2016","72","1","35","39","10.1107/S2056989015023373","","","0.71073","MoKα","","0.032","0.0305","","","0.0743","0.0749","","","","","","1.137","","","","has coordinates,has Fobs","176638","2020-10-21","18:00:00",""
"2241430","25.3722","0.0005","8.5841","0.0002","32.912","0.002","90","","98.909","0.007","90","","7081.7","0.5","123","2","123.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tri-tert-butylphosphonium aquatrichloridozincate 1,2-dichloroethane monosolvate","","- C14 H34 Cl5 O P Zn -","- C14 H34 Cl5 O P Zn -","- C168 H408 Cl60 O12 P12 Zn12 -","12","3","","Finke, Aaron D.; Gray, Danielle L.; Moore, Jeffrey S.","Crystal structures of three complexes of zinc chloride with tri-tert-butylphosphane","Acta Crystallographica Section E","2016","72","1","35","39","10.1107/S2056989015023373","","","1.54187","CuKα","","0.0812","0.0487","","","0.1241","0.1417","","","","","","0.982","","","","has coordinates,has disorder,has Fobs","176638","2020-10-21","18:00:00",""
"2241431","6.6981","0.0004","6.9988","0.0004","14.177","0.0009","91.07","0.005","92.131","0.005","96.602","0.005","659.56","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-Nitrobenzoic acid‒N,N'-bis(pyridin-3-ylmethyl)ethanediamide (2/1)","","- C28 H24 N6 O10 -","- C28 H24 N6 O10 -","- C28 H24 N6 O10 -","1","0.5","HB7557","Syed, Sabrina; Halim, Siti Nadiah Abdul; Jotani, Mukesh M.; Tiekink, Edward R. T.","A 2:1 co-crystal of p-nitrobenzoic acid and N,N'-bis(pyridin-3-ylmethyl)ethanediamide: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","1","76","82","10.1107/S2056989015024068","","","0.71073","MoKα","","0.0508","0.0398","","","0.0997","0.1095","","","","","","1.054","","","","has coordinates,has Fobs","176641","2020-10-21","18:00:00",""
"2241432","7.0138","0.0003","10.6077","0.0004","6.6021","0.0002","90","","90","","90","","491.2","0.03","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Poly[(μ~3~-formato)(μ~4~-oxalato)terbium(III)]","","- C3 H O6 Tb -","- C3 H O6 Tb -","- C12 H4 O24 Tb4 -","4","0.5","ZS2356","Kittipong, Chainok; Khemthong, Phailyn; Kielar, Filip; Zhou, Yan","Crystal structure of a mixed-ligand terbium(III) coordination polymer containing oxalate and formate ligands, having a three-dimensional fcu topology","Acta Crystallographica Section E","2016","72","1","87","91","10.1107/S205698901502397X","","","0.71073","MoKα","","0.0147","0.0119","","","0.0241","0.0247","","","","","","1.097","","","","has coordinates,has Fobs","176643","2020-10-21","18:00:00",""
"2241433","5.6257","0.0006","9.8661","0.0011","14.3979","0.0015","90.834","0.007","91.431","0.007","91.645","0.007","798.47","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Butylparaben isonicotinamide","Butyl 4-hydroxybenzoate‒isonicotinamide (1/1)","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C34 H40 N4 O8 -","2","1","CV5494","Bhardwaj, Rajni M.; Yang, Huaiyu; Florence, Alastair J.","Crystal structure of the co-crystal butylparaben‒isonicotinamide (1/1)","Acta Crystallographica Section E","2016","72","1","53","55","10.1107/S2056989015023518","","","0.71073","MoKα","","0.0734","0.0454","","","0.1015","0.1162","","","","","","1.045","","","","has coordinates,has Fobs","176647","2020-10-21","18:00:00",""
"2241434","10.1567","0.0005","10.1567","0.0005","9.2774","0.0006","90","","90","","120","","828.82","0.08","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Potassium hexaphosphitopentaferrate(II,III) hemihydrate","","- Fe5 H7 K0.75 O18.5 P6 -","- Fe5 H6 K0.75 O18.5 P6 -","- Fe10 H12 K1.5 O37 P12 -","2","0.166667","","Larrea, Edurne S.; Mesa, José Luis; Legarra, Estibaliz; Aguayo, Andrés Tomás; Arriortua, Maria Isabel","Crystal structure of K~0.75~[Fe^II^~3.75~Fe^III^~1.25~(HPO~3~)~6~]·0.5H~2~O, an open-framework iron phosphite with mixed-valent Fe^II^/Fe^III^ ions","Acta Crystallographica Section E","2016","72","1","63","65","10.1107/S2056989015024007","","","0.71073","MoKα","","0.0271","0.0256","","","","0.0607","","","","","","1.187","","","","has coordinates,has disorder,has Fobs","176648","2020-10-21","18:00:00",""
"2241435","9.8506","0.0006","11.0603","0.0007","17.8574","0.0012","73.11","0.003","75.53","0.002","89.01","0.002","1799.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Bis(2-aminoethyl-κN)(2-{[4-(trifluoromethyl)benzylidene]amino}ethyl)amine-κN]dichloridocopper(II)","","- C14 H21 Cl2 Cu F3 N4 -","- C14 H21 Cl2 Cu F3 N4 -","- C56 H84 Cl8 Cu4 F12 N16 -","4","2","PK2570","Bussey, Katherine A.; Cavalier, Annie R.; Mraz, Margaret E.; Holderread, Ashley S.; Oshin, Kayode D.; Oliver, Allen G.; Zeller, Matthias","Crystal structure of [bis(2-aminoethyl-κN)(2-{[4-(trifluoromethyl)benzylidene]amino}ethyl)amine-κN]dichloridocopper(II)","Acta Crystallographica Section E","2016","72","1","83","86","10.1107/S2056989015024147","","","0.71073","MoKα","","0.0949","0.0731","","","0.1433","0.151","","","","","","1.223","","","","has coordinates,has Fobs","176649","2020-10-21","18:00:00",""
"2241436","8.8173","0.0011","10.7036","0.0013","10.8452","0.0014","61.939","0.002","77.597","0.002","69.636","0.002","845.15","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","C~19~H~13~Cl~F~2~N~2~O~2","N-{4-[(6-Chloropyridin-3-yl)methoxy]phenyl}-2,6-difluorobenzamide","","- C19 H13 Cl F2 N2 O2 -","- C19 H13 Cl F2 N2 O2 -","- C38 H26 Cl2 F4 N4 O4 -","2","1","SJ5486","Liang, Ying; Shi, Li-Qiao; Yang, Zi-Wen","Crystal structure of N-{4-[(6-chloropyridin-3-yl)methoxy]phenyl}-2,6-difluorobenzamide","Acta Crystallographica Section E","2016","72","1","60","62","10.1107/S2056989015023701","","","0.71073","MoKα","","0.0513","0.0454","","","0.1114","0.1157","","","","","","1.061","","","","has coordinates,has Fobs","176650","2020-10-21","18:00:00",""
"2241437","7.568","0.005","8.879","0.005","19.168","0.005","90","","90","","90","","1288","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[diaqua(μ-2-carboxyacetato-κ^3^O,O':O'')(2-carboxyacetato-κO)di-μ-chlorido-cobalt(II)]","","- C6 H10 Cl2 Co2 O10 -","- C6 H10 Cl2 Co2 O10 -","- C24 H40 Cl8 Co8 O40 -","4","0.5","WM5235","Bouaoud, Yasmina; Setifi, Zouaoui; Buvailo, Andrii; Potaskalov, Vadim A.; Merazig, Hocine; Dénés, Georges","Crystal structure of poly[diaqua(μ-2-carboxyacetato-κ^3^O,O':O'')(2-carboxyacetato-κO)di-μ-chlorido-dicobalt(II)]","Acta Crystallographica Section E","2016","72","1","21","24","10.1107/S2056989015023269","","","0.71073","MoKα","","0.0711","0.0459","","","0.1057","0.1159","","","","","","1.053","","","","has coordinates,has Fobs","176651","2020-10-21","18:00:00",""
"2241438","14.2425","0.0003","15.4113","0.0003","16.8537","0.0003","90","","90","","90","","3699.31","0.12","100","2","100.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris(dimethylamido-κN)bis(dimethylamine-κN)zirconium(IV) iodide","","- C10 H32 I N5 Zr -","- C10 H32 I N5 Zr -","- C80 H256 I8 N40 Zr8 -","8","1","PK2563","Clark, Wesley D.; Akurathi, Gopalakrishna; Valle, Henry U.; Hollis, T. Keith","Crystal structure of tris(dimethylamido-κN)bis(dimethylamine-κN)zirconium(IV) iodide","Acta Crystallographica Section E","2016","72","1","73","75","10.1107/S2056989015023919","","","0.71073","MoKα","","0.0173","0.0146","","","0.0351","0.0363","","","","","","1.067","","","","has coordinates,has Fobs","176653","2020-10-21","18:00:00",""
"2241439","18.7857","0.0014","18.7857","0.0014","13.8572","0.0012","90","","90","","90","","4890.2","0.7","120","2","120","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","Tris(trans-1,2-diaminocyclohexane-κ^2^N,N')cobalt(III) trichloride monohydrate","","- C18 H44 Cl3 Co N6 O -","- C18 H44 Cl3 Co N6 O -","- C144 H352 Cl24 Co8 N48 O8 -","8","0.5","LH5797","Gallagher, Megan K.; Oliver, Allen G.; Lappin, A. Graham","Crystal structure of tris(trans-1,2-diaminocyclohexane-κ^2^N,N')cobalt(III) trichloride monohydrate","Acta Crystallographica Section E","2016","72","1","49","52","10.1107/S2056989015023683","","","0.71073","MoKα","","0.0541","0.0471","","","0.1257","0.1297","","","","","","1.061","","","","has coordinates,has Fobs","189124","2020-10-21","18:00:00",""
"2241440","8.4309","0.0006","16.1488","0.0011","8.6878","0.0006","90","","112.994","0.002","90","","1088.85","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(RS)-(4-Chlorophenyl)(pyridin-2-yl)methanol","","- C12 H10 Cl N O -","- C12 H10 Cl N O -","- C48 H40 Cl4 N4 O4 -","4","1","HB7553","Narayana, Badiadka; Sarojini, Balladka K.; Yathirajan, Hemmige S.; Rathore, Ravindranath; Glidewell, Christopher","Crystal structure of (RS)-(4-chlorophenyl)(pyridin-2-yl)methanol","Acta Crystallographica Section E","2016","72","1","69","72","10.1107/S2056989015023154","","","0.71073","MoKα","","0.0634","0.0445","","","0.1079","0.1183","","","","","","1.059","","","","has coordinates,has Fobs","176655","2020-10-21","18:00:00",""
"2241441","8.8533","0.001","8.8722","0.001","11.2487","0.0014","72.823","0.003","87.281","0.004","80.072","0.003","831.51","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Dichloridobis(dimethyl N-cyanodithioiminocarbonate)cobalt(II)","","- C8 H12 Cl2 Co N4 S4 -","- C8 H12 Cl2 Co N4 S4 -","- C16 H24 Cl4 Co2 N8 S8 -","2","1","WM5249","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Crystal structure of dichloridobis(dimethyl N-cyanodithioiminocarbonate)cobalt(II)","Acta Crystallographica Section E","2016","72","1","66","68","10.1107/S2056989015023439","","","0.71073","MoKα","","0.0397","0.0331","","","0.0827","0.0865","","","","","","1.09","","","","has coordinates,has Fobs","176656","2020-10-21","18:00:00",""
"2241443","10.9173","0.0008","5.8011","0.0006","23.085","0.002","90","","93.16","0.007","90","","1459.8","0.2","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Ferrocenyl-1-phenyl-1H-pyrrole","","- C20 H17 Fe N -","- C20 H17 Fe N -","- C80 H68 Fe4 N4 -","4","1","WM5252","Pfaff, Ulrike; Korb, Marcus; Lang, Heinrich","Crystal structure of 3-ferrocenyl-1-phenyl-1H-pyrrole, [Fe(η^5^-C~5~H~4~^c^C~4~H~3~NPh)(η^5^-C~5~H~5~)]","Acta Crystallographica Section E","2016","72","1","92","95","10.1107/S2056989015024214","","","0.71073","MoKα","","0.0668","0.045","","","0.1005","0.1102","","","","","","1.021","","","","has coordinates,has Fobs","176639","2020-10-21","18:00:00",""
"2241444","10.7986","0.0006","11.0555","0.0006","11.4118","0.0004","87.918","0.004","82.785","0.004","79.815","0.005","1330.16","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(benzylamine-κN)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ^4^N]iron(II) n-hexane monosolvate","","- C64 H56 Cl4 Fe N6 -","- C64 H56 Cl4 Fe N6 -","- C64 H56 Cl4 Fe N6 -","1","0.5","WM5253","Dhifaoui, Selma; Harhouri, Wafa; Bujacz, Anna; Nasri, Habib","Crystal structure of bis(benzylamine-κN)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ^4^N]iron(II) n-hexane monosolvate","Acta Crystallographica Section E","2016","72","1","102","105","10.1107/S2056989015024135","","","1.54184","CuKα","","0.0527","0.0484","","","0.1285","0.1326","","","","","","1.056","","","","has coordinates,has Fobs","176640","2020-10-21","18:00:00",""
"2241445","13.8369","0.0009","12.2202","0.0008","6.8468","0.0004","90","","90","","90","","1157.72","0.13","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","7,8,9,10-Tetrahydrobenzo[b]naphtho[2,1-d]furan","","- C16 H14 O -","- C16 H14 O -","- C64 H56 O4 -","4","1","SU5264","Wu, Zhongyuan; Reetz, Manfred T.; Harms, Klaus","Crystal structure of 7,8,9,10-tetrahydrobenzo[b]naphtho[2,1-d]furan","Acta Crystallographica Section E","2016","72","1","106","108","10.1107/S2056989015024512","","","0.71073","MoKα","","0.0467","0.0375","","","0.0778","0.0809","","","","","","1.089","","","","has coordinates,has Fobs","176642","2020-10-21","18:00:00",""
"2241446","13.1128","0.0007","20.8621","0.0012","17.6284","0.001","90","","106.725","0.001","90","","4618.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","0.25-Aqua(benzene-1,4-dicarboxylato-κ^2^O,O')bis(sparfloxacin-κ^2^O,O')manganese(II) dihydrate","","- C46 H52.5 F4 Mn N8 O12.25 -","- C46 H52.5 F4 Mn N8 O12.25 -","- C184 H210 F16 Mn4 N32 O49 -","4","1","SJ5492","An, Zhe; Gao, Jing; Harrison, William T. A.","Crystal structures of [Mn(bdc)(Hspar)~2~(H~2~O)~0.25~]·2H~2~O containing MnO~6+1~ capped trigonal prisms and [Cu(Hspar)~2~](bdc)·2H~2~O containing CuO~4~ squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate)","Acta Crystallographica Section E","2016","72","1","96","101","10.1107/S205698901502424X","","","0.71073","MoKα","","0.1223","0.0592","","","0.1284","0.1548","","","","","","1.038","","","","has coordinates,has Fobs","176652","2020-10-21","18:00:00",""
"2241447","13.6039","0.0002","7.8019","0.0001","22.087","0.0003","90","","103.764","0.001","90","","2276.91","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(sparfloxacin-κ^2^O,O')copper(II) benzene-1,4-dicarboxylate dihydrate","","- C46 H52 Cu F4 N8 O12 -","- C46 H52 Cu F4 N8 O12 -","- C92 H104 Cu2 F8 N16 O24 -","2","0.5","SJ5492","An, Zhe; Gao, Jing; Harrison, William T. A.","Crystal structures of [Mn(bdc)(Hspar)~2~(H~2~O)~0.25~]·2H~2~O containing MnO~6+1~ capped trigonal prisms and [Cu(Hspar)~2~](bdc)·2H~2~O containing CuO~4~ squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate)","Acta Crystallographica Section E","2016","72","1","96","101","10.1107/S205698901502424X","","","0.71073","MoKα","","0.0793","0.052","","","0.1274","0.1423","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176652","2020-10-21","18:00:00",""
"2241449","9.692","0.0006","10.279","0.0006","12.4154","0.0008","96.836","0.002","98.481","0.002","94.188","0.002","1209.47","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(n-Butyl)[2-(2,6-dimethoxyphenyl)-6-methylphenyl](2-methoxyphenyl)phosphonium chloride monohydrate","","- C26 H34 Cl O4 P -","- C26 H34 Cl O4 P -","- C52 H68 Cl2 O8 P2 -","2","1","HG5467","Feng, Ge; Filatov, Alexander S.; Jordan, Richard F.","Crystal structure of (n-butyl)[2-(2,6-dimethoxyphenyl)-6-methylphenyl](2-methoxyphenyl)phosphonium chloride monohydrate","Acta Crystallographica Section E","2016","72","2","174","177","10.1107/S2056989015024780","","","0.71073","MoKα","","0.051","0.0379","","","0.0892","0.0963","","","","","","1.043","","","","has coordinates,has Fobs","174433","2020-10-21","18:00:00",""
"2241450","7.3641","0.0002","10.3759","0.0005","12.1358","0.0005","68.853","0.002","84.803","0.003","87.825","0.003","861.27","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","μ-Oxalodihydroxamato-bis[(2,2'-bipyridyl)(dimethyl sulfoxide-κO)copper(II)] bis(perchlorate)","","- C26 H30 Cl2 Cu2 N6 O14 S2 -","- C26 H30 Cl2 Cu2 N6 O14 S2 -","- C26 H30 Cl2 Cu2 N6 O14 S2 -","1","0.5","","Odarich, Irina A.; Pavlishchuk, Anna V.; Kalibabchuk, Valentina A.; Haukka, Matti","Crystal structure of μ-oxalodihydroxamato-bis[(2,2'-bipyridyl)(dimethyl sulfoxide-κO)copper(II)] bis(perchlorate)","Acta Crystallographica Section E","2016","72","2","147","150","10.1107/S2056989016000050","","","0.71069","MoKα","","0.0449","0.0342","","","0.0814","0.0868","","","","","","1.111","","","","has coordinates,has Fobs","174434","2020-10-21","18:00:00",""
"2241451","11.8587","0.0003","16.1619","0.0005","19.2167","0.0005","68.207","0.003","81.077","0.002","86.866","0.002","3378.43","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(4-Cyanopyridine-κN)]{5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ^4^N}zinc‒4-cyanopyridine (1/1)","","- C84 H52 N8 O8 Zn -","- C84 H52 N8 O8 Zn -","- C168 H104 N16 O16 Zn2 -","2","1","XU5882","Nasri, Soumaya; Amiri, Nesrine; Turowska-Tyrk, Ilona; Daran, Jean-Claude; Nasri, Habib","Crystal structure of (4-cyanopyridine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ^4^N}zinc‒4-cyanopyridine (1/1)","Acta Crystallographica Section E","2016","72","2","164","169","10.1107/S2056989016000062","","","0.71073","MoKα","","0.0793","0.0537","","","0.1361","0.1551","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","174435","2020-10-21","18:00:00",""
"2241452","8.6394","0.001","12.0694","0.0013","12.2249","0.0014","113.343","0.003","110.629","0.004","96.54","0.004","1046.6","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Bis[4,4'-methylenebis(3,5-dimethyl-1H-pyrazol-2-ium)] β-octamolybdate","","- C22 H36 Mo8 N8 O26 -","- C22 H36 Mo8 N8 O26 -","- C22 H36 Mo8 N8 O26 -","1","0.5","","Amarante, Tatiana R.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.","Crystal structure of an organic‒inorganic supramolecular salt based on a 4,4'-methylenebis(3,5-dimethyl-1H-pyrazol-2-ium) cation and a β-octamolybdate anion","Acta Crystallographica Section E","2016","72","2","124","127","10.1107/S2056989015024524","","","0.71073","MoKα","","0.0329","0.0207","","","0.0418","0.0449","","","","","","1.05","","","","has coordinates,has Fobs","174436","2020-10-21","18:00:00",""
"2241453","15.341","0.003","16.9915","0.0007","9.0308","0.0008","90","","100.62","0.016","90","","2313.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[N-(2-hydroxyethyl)-N-isopropyldithiocarbamato-κ^2^S,S'](piperazine-κN)cadmium","","- C16 H34 Cd N4 O2 S4 -","- C16 H34 Cd N4 O2 S4 -","- C64 H136 Cd4 N16 O8 S16 -","4","1","HB7558","Safbri, Siti Artikah M.; Halim, Siti Nadiah Abdul; Jotani, Mukesh M.; Tiekink, Edward R. T.","Bis[N-(2-hydroxyethyl)-N-isopropyldithiocarbamato-κ^2^S,S'](piperazine-κN)cadmium: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","2","158","163","10.1107/S2056989016000165","","","0.71073","MoKα","","0.0358","0.0259","","","0.0527","0.058","","","","","","1.033","","","","has coordinates,has Fobs","174437","2020-10-21","18:00:00",""
"2241454","4.5596","0.0009","5.9351","0.0012","9.1874","0.0018","90","","90","","90","","248.63","0.09","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","Distrontium cadmium diplatinum","","- Cd Pt2 Sr2 -","- Cd Pt2 Sr2 -","- Cd2 Pt4 Sr4 -","2","0.125","WM5254","Nawawi, Effendi; Gulo, Fakhili; Köhler, Jürgen","Crystal structure of Sr~2~CdPt~2~ containing linear platinum chains","Acta Crystallographica Section E","2016","72","2","144","146","10.1107/S2056989015024937","","","0.71073","MoKα","","0.0251","0.022","","","0.0562","0.0578","","","","","","1.159","","","","has coordinates,has Fobs","174438","2020-10-21","18:00:00",""
"2241455","18.1637","0.0003","10.3463","0.0002","14.5322","0.0003","90","","90","","90","","2730.99","0.09","160","2","160","2","","","","","","","","6","P n a 21","P 2c -2n","33","","fac-Tricarbonyl(quinoline-2-carboxylato-κ^2^N,O)(triphenylarsane-κAs)rhenium(I)","","- C31 H21 As N O5 Re -","- C31 H21 As N O5 Re -","- C124 H84 As4 N4 O20 Re4 -","4","1","","Triantis, Charalampos; Shegani, Antonio; Kiritsis, Christos; Raptopoulou, Catherine P.; Psycharis, Vassilis; Pelecanou, Maria; Pirmettis, Ioannis; Papadopoulos, Minas","Crystal structure of fac-tricarbonyl(quinoline-2-carboxylato-κ^2^N,O)(triphenylarsane-κAs)rhenium(I)","Acta Crystallographica Section E","2016","72","2","114","116","10.1107/S2056989015024640","","","1.54178","CuKα","","0.0332","0.0325","","","0.0758","0.0762","","","","","","1.054","","","","has coordinates,has Fobs","174439","2020-10-21","18:00:00",""
"2241456","13.2727","0.001","8.6401","0.0004","21.3018","0.0012","90","","105.316","0.007","90","","2356.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2Z,5Z)-3-(4-Methoxyphenyl)-2-[(4-methoxyphenyl)imino]-5-[(E)-3-(2-nitrophenyl)allylidene]-1,3-thiazolidin-4-one","","- C26 H21 N3 O5 S -","- C26 H21 N3 O5 S -","- C104 H84 N12 O20 S4 -","4","1","XU5881","Rahmani, Rachida; Djafri, Ahmed; Daran, Jean-Claude; Djafri, Ayada; Chouaih, Abdelkader; Hamzaoui, Fodil","Crystal structure of (2Z,5Z)-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)imino]-5-[(E)-3-(2-nitrophenyl)allylidene]-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2016","72","2","155","157","10.1107/S2056989016000207","","","0.71073","MoKα","","0.1156","0.064","","","0.1448","0.1662","","","","","","1.021","","","","has coordinates,has Fobs","174440","2020-10-21","18:00:00",""
"2241457","18.7471","0.0013","3.8129","0.0004","20.4813","0.0017","90","","100.57","0.007","90","","1439.2","0.2","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-Hydroxypicolinamide monohydrate","N-Hydroxypyridine-2-carboxamide monohydrate","","- C6 H8 N2 O3 -","- C6 H8 N2 O3 -","- C48 H64 N16 O24 -","8","1","GK2650","Safyanova, Inna S.; Ohui, Kateryna A.; Omelchenko, Irina V.","Crystal structure of N-hydroxypicolinamide monohydrate","Acta Crystallographica Section E","2016","72","2","117","119","10.1107/S2056989015024706","","","0.71073","MoKα","","0.0686","0.0527","","","0.1323","0.1425","","","","","","0.988","","","","has coordinates,has Fobs","174441","2020-10-21","18:00:00",""
"2241458","7.0798","0.0003","15.0376","0.0006","7.9329","0.0003","90","","110.88","0.0006","90","","789.1","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[trans-bis(acetonitrile-κN)diaquacobalt(II)]-μ-pyrazine-κ^2^N:N'] dinitrate]","","- C8 H14 Co N6 O8 -","- C8 H14 Co N6 O8 -","- C16 H28 Co2 N12 O16 -","2","0.5","WM5260","Liu, Chen; Felts, Ashley C.; Thuijs, Annaliese E.; Useche, Aaron; Abboud, Khalil A.","Crystal structure of catena-poly[[[trans-bis(acetonitrile-κN)diaquacobalt(II)]-μ-pyrazine-κ^2^N:N'] dinitrate]","Acta Crystallographica Section E","2016","72","2","151","154","10.1107/S2056989016000220","","","0.71073","MoKα","","0.0206","0.019","","","0.054","0.0549","","","","","","1.069","","","","has coordinates,has Fobs","174442","2020-10-21","18:00:00",""
"2241459","27.254","0.009","16.016","0.006","17.938","0.007","90","","105.92","0.02","90","","7530","5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Pentakis(μ-carbonyl-κ^2^C:C)tetrakis(triphenylphosphane-κP)tetrapalladium(5 Pd—Pd) tetrahydrofuran disolvate","","- C85 H76 O7 P4 Pd4 -","- C85 H76 O7 P4 Pd4 -","- C340 H304 O28 P16 Pd16 -","4","0.5","","Robeyns, Koen; Willocq, Christopher; Tinant, Bernard; Devillers, Michel; Hermans, Sophie","Crystal structure of a Pd~4~ carbonyl triphenylphosphane cluster [Pd~4~(CO)~5~(PPh~3~)~4~]·2C~4~H~8~O, comparing solvates","Acta Crystallographica Section E","2016","72","2","120","123","10.1107/S205698901502441X","","","0.71069","MoKα","","0.0466","0.035","","","0.0806","0.0856","","","","","","1.035","","","","has coordinates,has Fobs","174443","2020-10-21","18:00:00",""
"2241460","5.0215","0.0004","9.8852","0.001","17.7668","0.0014","90","","90","","90","","881.92","0.13","100","2","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3-Oxobutanoyl)-L-homoserine lactone","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","LD2139","Newberry, R.W.; Raines, R.T.","Crystal structure of N-(3-oxobutanoyl)-L-homoserine lactone","Acta Crystallographica Section E","2016","72","2","136","139","10.1107/S2056989015024913","","","1.54178","CuKα","","0.0273","0.0264","","","0.0662","0.0671","","","","","","1.043","","","","has coordinates,has Fobs","174444","2020-10-21","18:00:00",""
"2241461","5.5296","0.0006","23.083","0.003","9.3088","0.0009","90","","112.94","0.005","90","","1094.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-4-formyl-1H-pyrrole-3-carboxamide","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","SU5268","Zhong, Qi-Di; Hu, Sheng-Quan; Yan, Hong","Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carboxamide","Acta Crystallographica Section E","2016","72","2","133","135","10.1107/S2056989016000128","","","0.71073","MoKα","","0.0358","0.0342","","","0.1202","0.1226","","","","","","1.004","","","","has coordinates,has Fobs","174446","2020-10-21","18:00:00",""
"2241462","4.8742","0.0015","10.247","0.003","8.683","0.003","90","","94.97","0.01","90","","432","0.2","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2,4,6-Tribromobenzonitrile - polytype I","","- C7 H2 Br3 N -","- C7 H2 Br3 N -","- C14 H4 Br6 N2 -","2","0.5","LH5796","Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J.","Two new polytypes of 2,4,6-tribromobenzonitrile","Acta Crystallographica Section E","2016","72","2","178","183","10.1107/S2056989016000256","","","0.71073","MoKα","","0.0563","0.0462","","","0.1106","0.1158","","","","","","1.012","","","","has coordinates,has Fobs","174447","2020-10-21","18:00:00",""
"2241463","13.6183","0.0013","10.2147","0.001","12.4754","0.0012","90","","90","","90","","1735.4","0.3","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4,6-Tribromobenzonitrile - polytype II","","- C7 H2 Br3 N -","- C7 H2 Br3 N -","- C56 H16 Br24 N8 -","8","1","LH5796","Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J.","Two new polytypes of 2,4,6-tribromobenzonitrile","Acta Crystallographica Section E","2016","72","2","178","183","10.1107/S2056989016000256","","","0.71073","MoKα","","0.0421","0.0283","","","0.0589","0.0628","","","","","","1.02","","","","has coordinates,has Fobs","174447","2020-10-21","18:00:00",""
"2241464","20.399","0.004","10.2167","0.0018","12.493","0.002","90","","90","","90","","2603.7","0.8","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,4,6-Tribromobenzonitrile - polytype III","","- C7 H2 Br3 N -","- C7 H2 Br3 N -","- C84 H24 Br36 N12 -","12","1.5","LH5796","Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J.","Two new polytypes of 2,4,6-tribromobenzonitrile","Acta Crystallographica Section E","2016","72","2","178","183","10.1107/S2056989016000256","","","0.71073","MoKα","","0.0362","0.023","","","0.0428","0.046","","","","","","1.066","","","","has coordinates,has Fobs","174447","2020-10-21","18:00:00",""
"2241465","13.5916","0.0018","10.1464","0.0013","12.6158","0.0016","90","","90","","90","","1739.8","0.4","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3,5-Tribromo-2-isocyanobenzene - polytype II","","- C7 H2 Br3 N -","- C7 H2 Br3 N -","- C56 H16 Br24 N8 -","8","1","LH5796","Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J.","Two new polytypes of 2,4,6-tribromobenzonitrile","Acta Crystallographica Section E","2016","72","2","178","183","10.1107/S2056989016000256","","","0.71073","MoKα","","0.0423","0.0254","","","0.0507","0.0554","","","","","","1.057","","","","has coordinates,has Fobs","174447","2020-10-21","18:00:00",""
"2241466","11.3373","0.0004","12.6936","0.0005","21.9616","0.0008","90","","90","","90","","3160.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-tert-Butyl-10,15,20-triphenylporphyrin","","- C42 H34 N4 -","- C42 H34 N4 -","- C168 H136 N16 -","4","1","","Flanagan, Keith J.; Mothi, Ebrahim Mohamed; Kötzner, Lisa; Senge, Mathias O.","Crystal structure of 5-tert-butyl-10,15,20-triphenylporphyrin","Acta Crystallographica Section E","2016","72","2","128","132","10.1107/S2056989016000025","","","0.71073","MoKα","","0.04","0.0375","","","0.1035","0.1058","","","","","","1.063","","","","has coordinates,has Fobs","174448","2020-10-21","18:00:00",""
"2241467","12.7949","0.001","10.5639","0.0009","9.6676","0.0006","90","","90","","90","","1306.71","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","N^6^-benzoyladeninium nitrate","N^6^-benzoyladeninium nitrate","","- C12 H10 N6 O4 -","- C12 H10 N6 O4 -","- C48 H40 N24 O16 -","4","1","SJ5489","Karthikeyan, Ammasai; Jeeva Jasmine, Nithianantham; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in the N(9)—H protonated and N(7)—H tautomeric form of an N^6^-benzoyladenine salt: N^6^-benzoyladeninium nitrate","Acta Crystallographica Section E","2016","72","2","140","143","10.1107/S2056989015024871","","","0.71073","MoKα","","0.0531","0.0399","","","0.0863","0.0969","","","","","","1.098","","","","has coordinates,has Fobs","174449","2020-10-21","18:00:00",""
"2241468","9.6999","0.0004","25.8275","0.0013","13.5791","0.0007","90","","110.222","0.002","90","","3192.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[N'-(Pyridin-2-ylmethylidene-κN)benzohydrazide-κ^2^N',O]tris(thiocyanato-κN)praseodymium(III) monohydrate","","- C29 H24 N9 O3 Pr S3 -","- C29 H24 N9 O3 Pr S3 -","- C116 H96 N36 O12 Pr4 S12 -","4","1","SU5267","Paschalidis, Damianos G.; Harrison, William T. A.","Two mixed-ligand lanthanide‒hydrazone complexes: [Pr(NCS)~3~(pbh)~2~]·H~2~O and [Nd(NCS)(NO~3~)(pbh)~2~(H~2~O)]NO~3~·2.33H~2~O [pbh is N'-(pyridin-2-ylmethylidene)benzohydrazide, C~13~H~11~N~3~O]","Acta Crystallographica Section E","2016","72","2","191","195","10.1107/S2056989015024962","","","0.71073","MoKα","","0.0717","0.0365","","","0.0682","0.0787","","","","","","1.038","","","","has coordinates,has Fobs","174532","2020-10-21","18:00:00",""
"2241469","11.2796","0.0003","17.3802","0.0003","17.4298","0.0004","90","","96.8035","0.0009","90","","3392.91","0.13","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(nitrato-κ^2^O,O')[N'-(pyridin-2-ylmethylidene-κN)benzohydrazide-κ^2^N',O](thiocyanato-κN)neodymium(III) nitrate 2.33-hydrate","","- C27 H28.66 N9 Nd O11.33 S -","- C27 H28.656 N9 Nd O11.328 S -","- C108 H114.624 N36 Nd4 O45.312 S4 -","4","1","SU5267","Paschalidis, Damianos G.; Harrison, William T. A.","Two mixed-ligand lanthanide‒hydrazone complexes: [Pr(NCS)~3~(pbh)~2~]·H~2~O and [Nd(NCS)(NO~3~)(pbh)~2~(H~2~O)]NO~3~·2.33H~2~O [pbh is N'-(pyridin-2-ylmethylidene)benzohydrazide, C~13~H~11~N~3~O]","Acta Crystallographica Section E","2016","72","2","191","195","10.1107/S2056989015024962","","","0.70173","MoKα","","0.0353","0.0258","","","0.0562","0.0603","","","","","","1.025","","","","has coordinates,has Fobs","174532","2020-10-21","18:00:00",""
"2241470","4.3564","0.0002","16.4069","0.0008","15.8598","0.0007","90","","94.793","0.002","90","","1129.62","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-3-(2-methylprop-1-en-1-yl)naphthalene-1,4-dione","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","ZS2357","Alcantara Emiliano, Sannyele; Welma Duarte Silva, Sheyla; Alves Pereira, Mariano; R.dos Santos Malta, Valeria; Luciano Balliano, Tatiane","Crystal structure and conformational analysis of 2-hydroxy-3-(2-methylprop-1-en-1-yl)naphthalene-1,4-dione","Acta Crystallographica Section E","2016","72","2","188","190","10.1107/S2056989015024755","","","0.71073","MoKα","","0.0883","0.0612","","","","0.1908","","","","","","1.033","","","","has coordinates,has Fobs","174533","2020-10-21","18:00:00",""
"2241471","6.184","0.0003","9.6495","0.0004","23.1111","0.001","90","","90","","90","","1379.1","0.11","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-(+)-5-(3-Bromo-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione","","- C13 H15 Br N2 O3 -","- C13 H15 Br N2 O3 -","- C52 H60 Br4 N8 O12 -","4","1","SJ5484","Ohba, Shigeru; Koura, Minoru; Sumida, Hisashi; Shibuya, Kimiyuki","Crystal structures of (S)-(+)-5-(3-bromo/chloro-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione","Acta Crystallographica Section E","2016","72","2","184","187","10.1107/S2056989015023014","","","0.71073","MoKα","","0.018","0.0173","","","0.0469","0.0474","","","","","","1.294","","","","has coordinates","174534","2020-10-21","18:00:00",""
"2241472","7.1397","0.0003","10.0128","0.0004","20.0431","0.0008","90","","90","","90","","1432.85","0.1","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-(+)-5-(3-Chloro-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione","","- C13 H15 Cl N2 O3 -","- C13 H15 Cl N2 O3 -","- C52 H60 Cl4 N8 O12 -","4","1","SJ5484","Ohba, Shigeru; Koura, Minoru; Sumida, Hisashi; Shibuya, Kimiyuki","Crystal structures of (S)-(+)-5-(3-bromo/chloro-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione","Acta Crystallographica Section E","2016","72","2","184","187","10.1107/S2056989015023014","","","0.71073","MoKα","","0.0279","0.0272","","","0.079","0.0793","","","","","","1.68","","","","has coordinates","174534","2020-10-21","18:00:00",""
"2241473","6.773","0.0003","23.1063","0.0011","16.9483","0.0008","90","","90","","90","","2652.4","0.2","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(2,2'-Bipyridyl-κ^2^N,N')bis[N,N-bis(2-hydroxyethyl)dithiocarbamato-κ^2^S,S']zinc dihydrate","","- C20 H32 N4 O6 S4 Zn -","- C20 H32 N4 O6 S4 Zn -","- C80 H128 N16 O24 S16 Zn4 -","4","0.5","WM5262","Safbri, Siti Artikah M.; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T.","Crystal structures of (2,2'-bipyridyl-κ^2^N,N')bis[N,N-bis(2-hydroxyethyl)dithiocarbamato-κ^2^S,S']zinc dihydrate and (2,2'-bipyridyl-κ^2^N,N')bis[N-(2-hydroxyethyl)-N-isopropyldithiocarbamato-κ^2^S,S']zinc","Acta Crystallographica Section E","2016","72","2","203","208","10.1107/S2056989016000700","","","0.71073","MoKα","","0.0361","0.0271","","","0.0602","0.0661","","","","","","1.019","","","","has coordinates,has Fobs","174630","2020-10-21","18:00:00",""
"2241474","19.4997","0.0011","9.0027","0.0005","15.5352","0.0008","90","","98.031","0.005","90","","2700.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,2'-Bipyridyl-κ^2^N,N')bis[N-(2-hydroxyethyl)-N-isopropyldithiocarbamato-κ^2^S,S']zinc","","- C22 H32 N4 O2 S4 Zn -","- C22 H32 N4 O2 S4 Zn -","- C88 H128 N16 O8 S16 Zn4 -","4","0.5","WM5262","Safbri, Siti Artikah M.; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T.","Crystal structures of (2,2'-bipyridyl-κ^2^N,N')bis[N,N-bis(2-hydroxyethyl)dithiocarbamato-κ^2^S,S']zinc dihydrate and (2,2'-bipyridyl-κ^2^N,N')bis[N-(2-hydroxyethyl)-N-isopropyldithiocarbamato-κ^2^S,S']zinc","Acta Crystallographica Section E","2016","72","2","203","208","10.1107/S2056989016000700","","","0.71073","MoKα","","0.0395","0.0302","","","0.0674","0.073","","","","","","1.028","","","","has coordinates,has Fobs","174630","2020-10-21","18:00:00",""
"2241475","10.2826","0.0002","16.2448","0.0003","14.9849","0.0003","90","","111.674","0.001","90","","2326.09","0.08","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","catena-Poly[1,3-benzothiazol-3-ium [[dichloridoantimonate(III)]-di-μ-chlorido-μ-oxido-[chloridoantimonate(III)]-μ-chlorido]]","","- C14 H12 Cl6 N2 O S2 Sb2 -","- C14 H12 Cl6 N2 O S2 Sb2 -","- C56 H48 Cl24 N8 O4 S8 Sb8 -","4","1","HG5468","Chebout, Oussama; Boudraa, Mhamed; Bouacida, Sofiane; Merazig, Hocine; Boudaren, Chaouki","catena-Poly[bis(1,3-benzothiazol-3-ium) [[dichloridoantimonate(III)]-di-μ-chlorido-μ-oxido-[chloridoantimonate(III)]-μ-chlorido]]","Acta Crystallographica Section E","2016","72","2","212","214","10.1107/S2056989016000785","","","0.71073","MoKα","","0.0284","0.0217","","","0.0466","0.0495","","","","","","1.022","","","","has coordinates,has Fobs","174631","2020-10-21","18:00:00",""
"2241476","15.6223","0.0003","5.8379","0.0001","14.7114","0.0003","90","","101.868","0.002","90","","1313.02","0.04","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[μ~2~-aqua-aqua[μ~3~-N-butyl-N-(2-hydroxyethyl)dithiocarbamato-κ^3^O,O':S]sodium]","","- C7 H18 N Na O3 S2 -","- C7 H18 N Na O3 S2 -","- C28 H72 N4 Na4 O12 S8 -","4","1","CV5500","Bhat, Muzzaffar A.; Jain, Shalini; Srivastava, Sanjay K.; Butcher, Ray J.; Wikaira, Jan","Poly[μ~2~-aqua-aqua[μ~3~-N-butyl-N-(2-hydroxyethyl)dithiocarbamato-κ^3^O,O':S]sodium]","Acta Crystallographica Section E","2016","72","2","196","198","10.1107/S2056989016000657","","","1.54184","CuKα","","0.0299","0.0288","","","0.0789","0.0798","","","","","","1.052","","","","has coordinates,has Fobs","174632","2020-10-21","18:00:00",""
"2241477","16.564","0.002","6.3581","0.0007","15.962","0.002","90","","105.239","0.005","90","","1621.9","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","(1E,4E)-1,5-Bis(5-bromothiophen-2-yl)-2,4-dimethylpenta-1,4-dien-3-one","","- C15 H12 Br2 O S2 -","- C15 H12 Br2 O S2 -","- C60 H48 Br8 O4 S8 -","4","1","BG2578","Nithya, C.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","Crystal structures of (1E,4E)-1,5-bis(5-bromothiophen-2-yl)-2,4-dimethylpenta-1,4-dien-3-one and (E)-4-(5-bromothiophen-2-yl)-1,3-diphenylbut-3-en-2-one","Acta Crystallographica Section E","2016","72","2","199","202","10.1107/S205698901600058X","","","0.71073","MoKα","","0.1394","0.0591","","","0.1439","0.181","","","","","","0.984","","","","has coordinates,has Fobs","174633","2020-10-21","18:00:00",""
"2241478","7.5879","0.0004","8.5361","0.0006","14.097","0.0008","99.51","0.003","97.673","0.003","101.956","0.003","867.58","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-4-(5-Bromothiophen-2-yl)-1,3-diphenylbut-3-en-2-one","","- C20 H15 Br O S -","- C20 H15 Br O S -","- C40 H30 Br2 O2 S2 -","2","1","BG2578","Nithya, C.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","Crystal structures of (1E,4E)-1,5-bis(5-bromothiophen-2-yl)-2,4-dimethylpenta-1,4-dien-3-one and (E)-4-(5-bromothiophen-2-yl)-1,3-diphenylbut-3-en-2-one","Acta Crystallographica Section E","2016","72","2","199","202","10.1107/S205698901600058X","","","0.71073","MoKα","","0.0676","0.0428","","","0.107","0.1175","","","","","","1.054","","","","has coordinates,has Fobs","174633","2020-10-21","18:00:00",""
"2241479","9.5507","0.0003","9.5507","0.0003","7.0513","0.0003","90","","90","","120","","557.02","0.03","298","2","298","2","","","","","","","","4","P 63/m","-P 6c","176","","Dicalcium octaneodymium hexakis(orthosilicate) dioxide","","- Ca2.49 Nd7.51 O25.75 Si6 -","- Ca2.494 Nd7.506 O25.76 Si6 -","- Ca2.494 Nd7.506 O25.76 Si6 -","1","0.0833333","RU2066","Le, Thu Hoai; Brooks, Neil R.; Binnemans, Koen; Blanpain, Bart; Guo, Muxing; Van Meervelt, Luc","Crystal structure of apatite type Ca~2.49~Nd~7.51~(SiO~4~)~6~O~1.75~","Acta Crystallographica Section E","2016","72","2","209","211","10.1107/S205698901600089X","","","0.71073","MoKα","","0.0215","0.0186","","","0.0339","0.0348","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","174634","2020-10-21","18:00:00",""
"2241517","11.9512","0.0005","12.9022","0.0005","6.7756","0.0003","90","","111.678","0.001","90","","970.88","0.07","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Sodium (sodium,manganese) triiron(II,III) tris[vanadate(V)]","","- Fe3 Mn0.3 Na1.4 O12 V3 -","- Fe3 Mn0.3 Na1.4 O12 V3 -","- Fe12 Mn1.2 Na5.6 O48 V12 -","4","0.5","WM5259","Benhsina, Elhassan; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of (Na~0.70~)(Na~0.70~,Mn~0.30~)(Fe^3+^,Fe^2+^)~2~Fe^2+^(VO~4~)~3~, a sodium-, iron- and manganese-based vanadate with the alluaudite-type structure","Acta Crystallographica Section E","2016","72","2","220","222","10.1107/S2056989016000931","","","0.71073","MoKα","","0.0245","0.0202","","","0.054","0.0559","","","","","","1.122","","","","has coordinates,has Fobs","174795","2020-10-21","18:00:00",""
"2241518","10.0279","0.0003","12.954","0.0004","16.819","0.0005","112.306","0.003","96.08","0.003","103.601","0.003","1917.8","0.12","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","(μ-1,4-Dicarboxybutane-1,4-dicarboxylato)bis[bis(triphenylphosphane)silver(I)] dichloromethane trisolvate","","- C83 H74 Ag2 Cl6 O8 P4 -","- C83 H74 Ag2 Cl6 O8 P4 -","- C83 H74 Ag2 Cl6 O8 P4 -","1","0.5","","Frenzel, Peter; Korb, Marcus; Lang, Heinrich","Crystal structure of (μ-1,4-dicarboxybutane-1,4-dicarboxylato)bis[bis(triphenylphosphane)silver(I)] dichloromethane trisolvate","Acta Crystallographica Section E","2016","72","2","215","219","10.1107/S2056989016000797","","","0.71073","MoKα","","0.0381","0.0338","","","0.0803","0.0827","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","174796","2020-10-21","18:00:00",""
"2241519","14.6943","0.0005","11.1227","0.0003","8.3523","0.0003","90","","105.778","0.004","90","","1313.67","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1,3-diaminopropane-κ^2^N,N')bis[2-(4-nitrophenyl)acetato-κO]cadmium","","- C22 H32 Cd N6 O8 -","- C22 H32 Cd N6 O8 -","- C44 H64 Cd2 N12 O16 -","2","0.5","WM5258","Rahn, Ian M.; Crawford, Carlos L.; Assefa, Zerihun; Hendrich, Jeffery; Sykora, Richard E.","Crystal structure of bis(1,3-diaminopropane-κ^2^N,N')bis[2-(4-nitrophenyl)acetato-κO]cadmium","Acta Crystallographica Section E","2016","72","2","226","228","10.1107/S2056989016000943","","","0.71073","MoKα","","0.0362","0.0248","","","0.0506","0.0559","","","","","","1.064","","","","has coordinates,has Fobs","174797","2020-10-21","18:00:00",""
"2241520","8.063","0.0016","8.511","0.0017","10.927","0.002","80.52","0.03","88.26","0.03","86.44","0.03","738","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","trans-(1,8-Dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ^4^N^3^,N^6^,N^10^,N^13^)bis(isonicotinato-κO)nickel(II)","","- C28 H46 N8 Ni O4 -","- C28 H46 N8 Ni O4 -","- C28 H46 N8 Ni O4 -","1","0.5","WM5263","Shin, Jong Won; Kim, Dae-Woong; Moon, Dohyun","Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ^4^N^3^,N^6^,N^10^,N^13^)bis(isonicotinato-κO)nickel(II) determined from synchrotron data","Acta Crystallographica Section E","2016","72","2","223","225","10.1107/S2056989016001031","","","0.62998","synchrotron","","0.0499","0.0404","","","0.105","0.1099","","","","","","1.044","","","","has coordinates,has Fobs","174798","2020-10-21","18:00:00",""
"2241521","8.4249","0.0012","12.2465","0.001","16.2561","0.0013","90","","103.73","0.008","90","","1629.3","0.3","293","2","293","2","","","","","","","","4","I 1 a 1","I -2ya","9","","Dimethyl 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylate","","- C18 H14 N4 O4 -","- C18 H14 N4 O4 -","- C72 H56 N16 O16 -","4","1","","Alfonso, Montserrat; Stoeckli-Evans, Helen","Dimethyl and diethyl esters of 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylic acid: a comparison","Acta Crystallographica Section E","2016","72","2","233","237","10.1107/S2056989016001080","","","0.71073","MoKα","","0.0572","0.0495","","","0.126","0.1351","","","","","","1.108","","","","has coordinates,has Fobs","175183","2020-10-21","18:00:00",""
"2241522","10.2295","0.0006","10.2295","0.0006","36.281","0.003","90","","90","","90","","3796.5","0.4","223","2","223","2","","","","","","","","4","I 41/a","-I 4ad","88","","Diethyl 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylate","","- C20 H18 N4 O4 -","- C20 H18 N4 O4 -","- C160 H144 N32 O32 -","8","","","Alfonso, Montserrat; Stoeckli-Evans, Helen","Dimethyl and diethyl esters of 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylic acid: a comparison","Acta Crystallographica Section E","2016","72","2","233","237","10.1107/S2056989016001080","","","0.71073","MoKα","","0.0793","0.0492","","","0.1358","0.1493","","","","","","1.006","","","","has coordinates,has Fobs","175183","2020-10-21","18:00:00",""
"2241523","8.9221","0.0006","9.1927","0.0007","20.3446","0.0016","90","","93.829","0.002","90","","1664.9","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate","","- C17 H15 Cl N2 O4 -","- C17 H15 Cl N2 O4 -","- C68 H60 Cl4 N8 O16 -","4","1","","May, Nóra Veronika; Gál, Gyula Tamás; Rapi, Zsolt; Bakó, Péter","Crystal structure of diethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate","Acta Crystallographica Section E","2016","72","2","253","256","10.1107/S2056989016001444","","","0.71073","MoKα","","0.0511","0.0416","","","0.0992","0.1125","","","","","","1.109","","","","has coordinates,has Fobs","175184","2020-10-21","18:00:00",""
"2241524","13.469","0.003","13.48","0.003","13.442","0.002","90","","90","","90","","2440.6","0.8","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","rubidium nickel silicon oxide","Dirubidium nickel(II) pentasilicate","","- Ni O12 Rb2 Si5 -","- Ni O12 Rb2 Si5 -","- Ni8 O96 Rb16 Si40 -","8","1","VN2106","Bell, Anthony M. T.; Henderson, C. Michael B.","Rietveld refinement of the crystal structures of Rb~2~XSi~5~O~12~ (X = Ni, Mn).","Acta Crystallographica Section E","2016","72","2","249","252","10.1107/S2056989016001390","powder diffraction","","1.5418","CuKα","","","","","","","","","","2.817","","","","","","","has coordinates,has Fobs","175185","2020-10-21","18:00:00",""
"2241525","13.4085","0.001","13.6979","0.0011","13.5761","0.001","90","","90","","90","","2493.5","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","rubidium manganese silicon oxide","Dirubidium managnese(II) pentasilicate","","- Mn O12 Rb2 Si5 -","- Mn O12 Rb2 Si5 -","- Mn8 O96 Rb16 Si40 -","8","1","VN2106","Bell, Anthony M. T.; Henderson, C. Michael B.","Rietveld refinement of the crystal structures of Rb~2~XSi~5~O~12~ (X = Ni, Mn).","Acta Crystallographica Section E","2016","72","2","249","252","10.1107/S2056989016001390","powder diffraction","","1.5418","CuKα","","","","","","","","","","2.263","","","","","","","has coordinates","175185","2020-10-21","18:00:00",""
"2241526","11.0111","0.0007","13.1762","0.0008","15.8196","0.0009","90","","93.802","0.002","90","","2290.1","0.2","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","diethyl-2-acetoxy-2-(3-(4-nitrophenyl)3-oxo-1-phenylpropyl)malonate","","- C24 H25 N O9 -","- C24 H25 N O9 -","- C96 H100 N4 O36 -","4","1","","May, Nóra Veronika; Gál, Gyula Tamás; Rapi, Zsolt; Bakó, Péter","Crystal structure of diethyl 2-acetoxy-2-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]malonate","Acta Crystallographica Section E","2016","72","2","257","260","10.1107/S2056989016001432","","","0.71073","MoKα","","0.0641","0.0486","","","0.1135","0.1278","","","","","","1.118","","","","has coordinates,has Fobs","175186","2020-10-21","18:00:00",""
"2241527","7.5488","0.0004","21.4944","0.0014","7.8936","0.0005","90","","111.717","0.0019","90","","1189.88","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-[6-(Pyridin-2-yl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine monohydrate","","- C12 H11 N7 O -","- C12 H11 N7 O -","- C48 H44 N28 O4 -","4","1","ZL4001","Broichhagen, Johannes; Klingl, Yvonne E.; Trauner, Dirk; Mayer, Peter","6-[6-(Pyridin-2-yl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine monohydrate","Acta Crystallographica Section E","2016","72","2","238","240","10.1107/S2056989016000608","","","0.71073","MoKα","","0.0527","0.0379","","","0.0931","0.1005","","","","","","1.064","","","","has coordinates,has Fobs","175187","2020-10-21","18:00:00",""
"2241528","5.0436","0.0003","18.4232","0.001","16.0796","0.0009","90","","95.878","0.005","90","","1486.25","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-({[(Pyridin-1-ium-2-ylmethyl)carbamoyl]formamido}methyl)pyridin-1-ium bis(3,5-dicarboxybenzoate)","","- C32 H26 N4 O14 -","- C32 H26 N4 O14 -","- C64 H52 N8 O28 -","2","0.5","HB7560","Jotani, Mukesh M.; Syed, Sabrina; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T.","2-({[(Pyridin-1-ium-2-ylmethyl)carbamoyl]formamido}methyl)pyridin-1-ium bis(3,5-dicarboxybenzoate): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","2","241","248","10.1107/S2056989016000980","","","0.71073","MoKα","","0.0687","0.0506","","","0.1204","0.1343","","","","","","1.071","","","","has coordinates,has Fobs","175188","2020-10-21","18:00:00",""
"2241529","9.6437","0.0006","15.9441","0.0011","15.9641","0.0011","90","","105.051","0.002","90","","2370.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[Bis(2-methoxyphenyl)phosphaniumyl]-4-methylbenzenesulfonate monohydrate dichloromethane monosolvate","","- C22 H25 Cl2 O6 P S -","- C22 H25 Cl2 O6 P S -","- C88 H100 Cl8 O24 P4 S4 -","4","1","CV5502","Zhang, Hongyang; Feng, Ge; Filatov, Alexander S.; Jordan, Richard F.","Crystal structure of zwitterionic 2-[bis(2-methoxyphenyl)phosphaniumyl]-4-methylbenzenesulfonate monohydrate dichloromethane monosolvate","Acta Crystallographica Section E","2016","72","2","229","232","10.1107/S2056989016000669","","","0.71073","MoKα","","0.044","0.0381","","","0.1015","0.1058","","","","","","1.045","","","","has coordinates,has Fobs","175189","2020-10-21","18:00:00",""
"2241530","9.0152","0.0003","13.6579","0.0004","14.6366","0.0004","90","","102.176","0.001","90","","1761.64","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (E)-3-(2-chlorophenyl)-2-({2-[(E)-2-nitrovinyl]phenoxy}methyl)acrylate","","- C19 H16 Cl N O5 -","- C19 H16 Cl N O5 -","- C76 H64 Cl4 N4 O20 -","4","1","SU5265","Vimala, G.; Poomathi, N.; Perumal, P. T.; SubbiahPandi, A.","Crystal structures of methyl (E)-3-(2-chlorophenyl)-2-({2-[(E)-2-nitrovinyl]phenoxy}methyl)acrylate and methyl (E)-2-({4-chloro-2-[(E)-2-nitrovinyl]phenoxy}methyl)-3-(2-chlorophenyl)acrylate","Acta Crystallographica Section E","2016","72","2","261","265","10.1107/S2056989016001493","","","0.71073","MoKα","","0.0615","0.0402","","","0.0975","0.109","","","","","","1.037","","","","has coordinates,has Fobs","175337","2020-10-21","18:00:00",""
"2241531","9.2372","0.0003","14.5027","0.0005","14.483","0.0005","90","","94.521","0.002","90","","1934.17","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (E)-2-({4-chloro-2-[(E)-2-nitrovinyl]phenoxy}methyl)-3-(2-chlorophenyl)acrylate","","- C19 H15 Cl2 N O5 -","- C19 H15 Cl2 N O5 -","- C76 H60 Cl8 N4 O20 -","4","1","SU5265","Vimala, G.; Poomathi, N.; Perumal, P. T.; SubbiahPandi, A.","Crystal structures of methyl (E)-3-(2-chlorophenyl)-2-({2-[(E)-2-nitrovinyl]phenoxy}methyl)acrylate and methyl (E)-2-({4-chloro-2-[(E)-2-nitrovinyl]phenoxy}methyl)-3-(2-chlorophenyl)acrylate","Acta Crystallographica Section E","2016","72","2","261","265","10.1107/S2056989016001493","","","0.71073","MoKα","","0.0887","0.0552","","","0.1261","0.1426","","","","","","1.039","","","","has coordinates,has Fobs","175337","2020-10-21","18:00:00",""
"2241532","15.2925","0.0002","10.0745","0.0001","11.9726","0.0001","90","","93.413","0.001","90","","1841.28","0.03","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione","","- C18 H20 N4 O2 S2 -","- C18 H20 N4 O2 S2 -","- C72 H80 N16 O8 S8 -","4","1","SU5269","Al-Alshaikh, Monirah A.; Abuelizz, Hatem A.; El-Emam, Ali A.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Crystal structure of 3-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione","Acta Crystallographica Section E","2016","72","2","269","272","10.1107/S2056989016000992","","","1.54184","CuKα","","0.0452","0.0445","","","0.1125","0.1129","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","175338","2020-10-21","18:00:00",""
"2241533","5.8831","0.0001","12.9095","0.0004","18.5655","0.0005","90","","90","","90","","1410.01","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-6,6-Dimethyl-4,8-dioxo-2-phenylspiro[2.5]octane-1-carbaldehyde","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","SU5275","Chelli, Saloua; Troshin, Konstantin; Lakhdar, Sami; Mayr, Herbert; Mayer, Peter","Crystal structure of (1S,2R)-6,6-dimethyl-4,8-dioxo-2-phenylspiro[2.5]octane-1-carbaldehyde","Acta Crystallographica Section E","2016","72","2","266","268","10.1107/S205698901600164X","","","0.71073","MoKα","","0.0511","0.0369","","","0.0791","0.085","","","","","","1.054","","","","has coordinates,has Fobs","175339","2020-10-21","18:00:00",""
"2241534","9.9754","0.0008","10.2139","0.0008","14.0294","0.0011","75.7386","0.0015","71.0062","0.0014","83.1264","0.0014","1308.73","0.18","297","","297","","","","","","","","","5","P -1","-P 1","2","","3-{5-[3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate","","- C30 H29 F N4 O2 -","- C30 H29 F N4 O2 -","- C60 H58 F2 N8 O4 -","2","1","PK2572","Rahman, Md. Lutfor; Kulkarni, Ajaykumar D.; Mohd. Yusoff, Mashitah; Kwong, Huey Chong; Quah, Ching Kheng","Crystal structure of 3-{5-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate","Acta Crystallographica Section E","2016","72","3","283","286","10.1107/S2056989016001614","","","0.71073","MoKα","","0.0955","0.0569","","","0.1119","0.1304","","","","","","1.206","","","","has coordinates,has disorder,has Fobs","175689","2020-10-21","18:00:00",""
"2241535","9.611","0.0019","14.837","0.003","17.283","0.004","90","","94.93","0.03","90","","2455.4","0.9","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","cis-Aquabis(2,2'-bipyridine-κ^2^N,N')chloridochromium(III) tetrachloridozincate","","- C20 H18 Cl5 Cr N4 O Zn -","- C20 H18 Cl5 Cr N4 O Zn -","- C80 H72 Cl20 Cr4 N16 O4 Zn4 -","4","1","WM5266","Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha","Crystal structure of cis-aquabis(2,2'-bipyridine-κ^2^N,N')chloridochromium(III) tetrachloridozincate determined from synchrotron data","Acta Crystallographica Section E","2016","72","3","280","282","10.1107/S2056989016001870","","","0.6","synchrotron","","0.0281","0.0267","","","0.0732","0.0737","","","","","","1.064","","","","has coordinates,has Fobs","175690","2020-10-21","18:00:00",""
"2241536","10.8454","0.0019","9.5675","0.0016","28.891","0.005","90","","92.886","0.003","90","","2994","0.9","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chlorido(2,3-diphenyl-3,4,5,6-tetrahydro-2H-1,3-thiazin-4-one-κO)triphenyltin","","- C34 H30 Cl N O S Sn -","- C34 H30 Cl N O S Sn -","- C136 H120 Cl4 N4 O4 S4 Sn4 -","4","1","BG2579","Yennawar, Hemant P.; Fox, Ryan; Silverberg, Lee J.","Crystal structure of the 1:1 adduct of 2,3-diphenyl-3,4,5,6-tetrahydro-2H-1,3-thiazin-4-one with triphenyltin chloride","Acta Crystallographica Section E","2016","72","3","276","279","10.1107/S2056989016001730","","","0.71073","MoKα","","0.0557","0.0479","","","0.1378","0.1435","","","","","","1.076","","","","has coordinates,has Fobs","175691","2020-10-21","18:00:00",""
"2241537","10.4277","0.0007","10.7014","0.0007","18.7154","0.0013","90","","90","","90","","2088.5","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","meso-2,6-Dibromoheptanedioic acid","","- C7 H10 Br2 O4 -","- C7 H10 Br2 O4 -","- C56 H80 Br16 O32 -","8","1","PK2573","Dirda, Nathaniel D. A.; Zavalij, Peter Y.; Kao, Joseph P. Y.","Crystal and molecular structure of meso-2,6-dibromoheptanedioic acid (meso-2,6-dibromopimelic acid)","Acta Crystallographica Section E","2016","72","3","322","324","10.1107/S2056989016001754","","","0.71073","MoKα","","0.0539","0.0359","","","0.0777","0.0841","","","","","","1.076","","","","has coordinates,has Fobs","176355","2020-10-21","18:00:00",""
"2241538","31.083","0.003","12.0766","0.001","14.7678","0.0012","90","","109.446","0.001","90","","5227.3","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 3-amino-6-methyl-2-[(4-methylphenyl)carbamoyl]-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridine-5-carboxylate monohydrate","","- C27 H27 N3 O4 S -","- C27 H27 N3 O4 S -","- C216 H216 N24 O32 S8 -","8","1","RZ5183","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Bakhite, Etify A.; Albayati, Mustafa R.","Crystal structure of ethyl 3-amino-6-methyl-2-[(4-methylphenyl)carbamoyl]-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridine-5-carboxylate monohydrate","Acta Crystallographica Section E","2016","72","3","297","299","10.1107/S2056989016001341","","","0.71073","MoKα","","0.0675","0.0465","","","0.1307","0.1401","","","","","","1.082","","","","has coordinates,has Fobs","176356","2020-10-21","18:00:00",""
"2241539","12.9681","0.0015","12.9681","0.0015","12.9681","0.0015","90","","90","","90","","2180.9","0.4","301","2","301","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Lithium gallium lanthanum zirconate","","- Ga0.52 La2.67 Li6.43 O12 Zr2 -","- Ga0.522 La2.667 Li6.43296 O12 Zr2 -","- Ga4.176 La21.336 Li51.4637 O96 Zr16 -","8","0.166667","WM5261","Robben, Lars; Merzlyakova, Elena; Heitjans, Paul; Gesing, Thorsten M.","Symmetry reduction due to gallium substitution in the garnet Li~6.43(2)~Ga~0.52(3)~La~2.67(4)~Zr~2~O~12~","Acta Crystallographica Section E","2016","72","3","287","289","10.1107/S2056989016001924","","","0.71073","MoKα","","0.027","0.0256","","","0.0556","0.056","","","","","","1.463","","","","has coordinates,has Fobs","176357","2020-10-21","18:00:00",""
"2241540","7.6343","0.0005","26.2356","0.0018","8.1332","0.0005","90","","112.725","0.002","90","","1502.54","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(9-Acetyl-9H-purin-6-yl)sulfanyl]-1-(3-methoxyphenyl)ethan-1-one","","- C16 H14 N4 O3 S -","- C16 H14 N4 O3 S -","- C64 H56 N16 O12 S4 -","4","1","HB7562","Gomes, Lígia R.; Low, John Nicolson; Magalhães e Silva, Diogo; Cagide, Fernando; Borges, Fernanda","Crystal structures of five 6-mercaptopurine derivatives","Acta Crystallographica Section E","2016","72","3","307","313","10.1107/S2056989016001833","","","0.71075","MoKα","","0.0646","0.0534","","","0.1383","0.1477","","","","","","1.048","","","","has coordinates,has Fobs","176358","2020-10-21","18:00:00",""
"2241541","5.992","0.0003","9.9795","0.0005","24.9907","0.0013","90","","95.977","0.005","90","","1486.25","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(9-Acetyl-9H-purin-6-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one","","- C16 H14 N4 O3 S -","- C16 H14 N4 O3 S -","- C64 H56 N16 O12 S4 -","4","1","HB7562","Gomes, Lígia R.; Low, John Nicolson; Magalhães e Silva, Diogo; Cagide, Fernando; Borges, Fernanda","Crystal structures of five 6-mercaptopurine derivatives","Acta Crystallographica Section E","2016","72","3","307","313","10.1107/S2056989016001833","","","0.71073","MoKα","","0.0813","0.048","","","0.1016","0.116","","","","","","1.021","","","","has coordinates,has Fobs","176358","2020-10-21","18:00:00",""
"2241542","5.99","0.0004","9.9169","0.0007","24.3238","0.0017","90","","96.072","0.002","90","","1436.78","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(9-Acetyl-9H-purin-6-yl)sulfanyl]-1-(4-chlorophenyl)ethan-1-one","","- C15 H11 Cl N4 O2 S -","- C15 H11 Cl N4 O2 S -","- C60 H44 Cl4 N16 O8 S4 -","4","1","HB7562","Gomes, Lígia R.; Low, John Nicolson; Magalhães e Silva, Diogo; Cagide, Fernando; Borges, Fernanda","Crystal structures of five 6-mercaptopurine derivatives","Acta Crystallographica Section E","2016","72","3","307","313","10.1107/S2056989016001833","","","0.71075","MoKα","","0.0478","0.035","","","0.0854","0.0918","","","","","","1.024","","","","has coordinates,has Fobs","176358","2020-10-21","18:00:00",""
"2241543","6.0705","0.0004","10.0668","0.0007","24.3492","0.0017","90","","96.58","0.002","90","","1478.19","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[(9-Acetyl-9H-purin-6-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one","","- C15 H11 Br N4 O2 S -","- C15 H11 Br N4 O2 S -","- C60 H44 Br4 N16 O8 S4 -","4","1","HB7562","Gomes, Lígia R.; Low, John Nicolson; Magalhães e Silva, Diogo; Cagide, Fernando; Borges, Fernanda","Crystal structures of five 6-mercaptopurine derivatives","Acta Crystallographica Section E","2016","72","3","307","313","10.1107/S2056989016001833","","","0.71075","MoKα","","0.0616","0.056","","","0.1473","0.1533","","","","","","1.059","","","","has coordinates,has Fobs","176358","2020-10-21","18:00:00",""
"2241544","7.6683","0.0005","21.8004","0.0015","8.4131","0.0005","90","","107.507","0.002","90","","1341.29","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3-Methoxyphenyl)-2-[(9H-purin-6-yl)sulfanyl]ethan-1-one","","- C14 H12 N4 O2 S -","- C14 H12 N4 O2 S -","- C56 H48 N16 O8 S4 -","4","1","HB7562","Gomes, Lígia R.; Low, John Nicolson; Magalhães e Silva, Diogo; Cagide, Fernando; Borges, Fernanda","Crystal structures of five 6-mercaptopurine derivatives","Acta Crystallographica Section E","2016","72","3","307","313","10.1107/S2056989016001833","","","0.71075","MoKα","","0.036","0.033","","","0.091","0.0934","","","","","","1.028","","","","has coordinates,has Fobs","176358","2020-10-21","18:00:00",""
"2241545","10.0235","0.0005","11.1997","0.0006","19.0655","0.0012","90","","100.429","0.006","90","","2104.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[Chloro(4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-5,5-dimethylcyclohexane-1,3-dione","","- C23 H25 Cl O4 -","- C23 H25 Cl O4 -","- C92 H100 Cl4 O16 -","4","1","RZ5184","Chelli, Saloua; Troshin, Konstantin; Lakhdar, Sami; Mayr, Herbert; Mayer, Peter","Crystal structure of 2-[chloro(4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-5,5-dimethylcyclohexane-1,3-dione","Acta Crystallographica Section E","2016","72","3","300","303","10.1107/S2056989016002085","","","0.71069","MoKα","","0.0565","0.04","","","0.0909","0.102","","","","","","1.025","","","","has coordinates,has Fobs","176359","2020-10-21","18:00:00",""
"2241546","18.9744","0.0004","16.0269","0.0003","21.1146","0.0004","90","","100.808","0.001","90","","6307.1","0.2","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","S-Hexyl (E)-3-(2-hydroxybenzylidene)dithiocarbazate","","- C14 H20 N2 O S2 -","- C14 H20 N2 O S2 -","- C224 H320 N32 O16 S32 -","16","4","","Begum, M. S.; Howlader, M. B. H.; Sheikh, M. C.; Miyatake, R.; Zangrando, E.","Crystal structure of S-hexyl (E)-3-(2-hydroxybenzylidene)dithiocarbazate","Acta Crystallographica Section E","2016","72","3","290","292","10.1107/S2056989016001857","","","1.54187","CuKα","","0.0876","0.0646","","","0.1605","0.1756","","","","","","0.933","","","","has coordinates,has Fobs","176360","2020-10-21","18:00:00",""
"2241547","7.6492","0.0001","6.1262","0.0001","8.9241","0.0002","90","","112.195","0.001","90","","387.202","0.012","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Brackebuschite","Dilead(II) manganese(III) vanadate(V) hydroxide","","- H Mn O9 Pb2 V2 -","- H Mn O9 Pb2 V2 -","- H2 Mn2 O18 Pb4 V4 -","2","0.5","WM5265","Lafuente, Barbara; Downs, Robert T.","Redetermination of brackebuschite, Pb~2~Mn^3+^(VO~4~)~2~(OH)","Acta Crystallographica Section E","2016","72","3","293","296","10.1107/S2056989016001948","","","0.71073","MoKα","","0.0303","0.0249","","","0.054","0.0562","","","","","","1.046","","","","has coordinates,has Fobs","176361","2020-10-21","18:00:00",""
"2241548","19.0095","0.0005","19.0095","0.0005","31.9862","0.001","90","","90","","120","","10010","0.5","110","","110","","","","","","","","","6","P -3","-P 3","147","","Bis[tetrakis(triphenylphosphane-κP)silver(I)] (nitrilotriacetato-κ^4^N,O,O',O'')(triphenylphosphane-κP)argentate(I) methanol monosolvate","","- C168 H141 Ag3 N O6 P9 -","- C168 H141 Ag3 N O6 P9 -","- C336 H282 Ag6 N2 O12 P18 -","2","0.333333","PK2571","Noll, Julian; Korb, Marcus; Lang, Heinrich","Crystal structure of bis[tetrakis(triphenylphosphane-κP)silver(I)] (nitrilotriacetato-κ^4^N,O,O',O'')(triphenylphosphane-κP)argentate(I) with an unknown amount of methanol as solvate","Acta Crystallographica Section E","2016","72","3","318","321","10.1107/S2056989016001262","","","0.71073","MoKα","","0.0969","0.0664","","","0.1849","0.1972","","","","","","1.048","","","","has coordinates,has Fobs","176362","2020-10-21","18:00:00",""
"2241549","5.5044","0.0002","12.6144","0.0004","21.6348","0.0009","90","","90","","90","","1502.21","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,5S,6R,6aR)-5-[(R)-2,2-Dimethyl-1,3-\ dioxolan-4-yl]-2,2-dimethyl-6-(nitromethyl)tetrahydrofuro[2,3-d][1,3]\ dioxole","","- C13 H21 N O7 -","- C13 H21 N O7 -","- C52 H84 N4 O28 -","4","1","SU5270","Lugiņina, Jevgeņija; Rjabovs, Vitālijs; Stepanovs, Dmitrijs","Crystal structure of 3-deoxy-3-nitromethyl-1,2;5,6-di-O-isopropylidene-α-D-allofuranose","Acta Crystallographica Section E","2016","72","3","314","317","10.1107/S2056989016001845","","","0.71073","MoKα","","0.1482","0.065","","","0.1045","0.1272","","","","","","1.012","","","","has coordinates,has Fobs","176363","2020-10-21","18:00:00",""
"2241550","9.7258","0.0009","19.3588","0.0009","9.6125","0.0002","90","","90","","90","","1809.84","0.19","150","2","150","2","","","","","","","","5","I m m a","-I 2b 2","74","mercury chalcohalide","Mercury antimony sulfide selenide iodide","","- Hg2.899 I1.908 S0.054 Sb0.101 Se2.038 -","- Hg2.899 I1.908 S0.057 Sb0.101 Se2.035 -","- Hg23.192 I15.264 S0.456 Sb0.808 Se16.28 -","8","0.5","VN2108","Kars, Mohammed; Herrero, Adrian Gómez; Roisnel, Thierry; Rebbah, Allaoua; Otero-Diáz, L. Carlos","Structure cristalline du composé Hg~3-x~Sb~x~(S+Se)~2+x~I~2-x~ (x ≃0.1)","Acta Crystallographica Section E","2016","72","3","304","306","10.1107/S2056989016002127","","","0.71073","MoKα","","0.082","0.0478","","","0.0581","0.0637","","","","","","1.44","","","","has coordinates,has Fobs","176364","2020-10-21","18:00:00",""
"2241551","9.9388","0.0013","5.0999","0.0006","10.6755","0.0014","90","","94.136","0.004","90","","539.7","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-[(Methylsulfanyl)carbonyl]urea","","- C3 H6 N2 O2 S -","- C3 H6 N2 O2 S -","- C12 H24 N8 O8 S4 -","4","1","HB7563","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Crystal structure of N-[(methylsulfanyl)carbonyl]urea","Acta Crystallographica Section E","2016","72","3","325","327","10.1107/S2056989016002322","","","0.71073","MoKα","","0.035","0.0309","","","0.0811","0.0835","","","","","","1.085","","","","has coordinates,has Fobs","176410","2020-10-21","18:00:00",""
"2241552","10.8046","0.001","9.0459","0.0009","6.8108","0.0007","90","","96.71","0.002","90","","661.11","0.11","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","2,6-Diaminopyridin-1-ium chloride","","- C5 H8 Cl N3 -","- C5 H8 Cl N3 -","- C20 H32 Cl4 N12 -","4","0.5","HB7564","Mastalir, Matthias; Schroffenegger, Martina; Stöger, Berthold; Weil, Matthias; Kirchner, Karl","Crystal structure of 2,6-diaminopyridinium chloride","Acta Crystallographica Section E","2016","72","3","331","333","10.1107/S2056989016002425","","","0.71073","MoKα","","0.0268","0.0244","","","0.038","0.0384","","","","","","2.24","","","","has coordinates,has Fobs","176411","2020-10-21","18:00:00",""
"2241553","28.58","0.0014","4.0632","0.0002","14.4806","0.0007","90","","115.1","0.001","90","","1522.78","0.13","105","2","105","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dimethyl 4,4'-dimethoxybiphenyl-3,3'-dicarboxylate","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","0.5","","Lundvall, Fredrik; Dietzel, Pascal D. C.; Fjellvåg, Helmer","Crystal structure of dimethyl 4,4'-dimethoxybiphenyl-3,3'-dicarboxylate","Acta Crystallographica Section E","2016","72","3","328","330","10.1107/S2056989016002449","","","0.71073","MoKα","","0.043","0.0376","","","0.1047","0.1091","","","","","","1.099","","","","has coordinates,has Fobs","176412","2020-10-21","18:00:00",""
"2241554","10.5556","0.0003","11.0236","0.0003","15.5261","0.0005","75.9922","0.0008","71.9673","0.0007","65.5889","0.0007","1550.67","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","1,2-Bis((benzylsulfanyl){2-[1-(2-hydroxyphenyl)ethylidene]hydrazin-1-ylidene}methyl)disulfane","2-[1-(2-{(Benzylsulfanyl)[((benzylsulfanyl){2-[1-(2-hydroxyphenyl)ethylidene]hydrazin-1-ylidene}methyl)disulfanyl]methylidene}hydrazin-1-ylidene)ethyl]phenol","","- C32 H30 N4 O2 S4 -","- C32 H30 N4 O2 S4 -","- C64 H60 N8 O4 S8 -","2","1","","Islam, M. A. A. A. A.; Sheikh, M. C.; Islam, M. H.; Miyatake, R.; Zangrando, E.","Crystal structure of 1,2-bis((benzylsulfanyl){2-[1-(2-hydroxyphenyl)ethylidene]hydrazin-1-ylidene}methyl)disulfane","Acta Crystallographica Section E","2016","72","3","337","339","10.1107/S2056989016002371","","","0.71075","MoKα","","","0.0342","","","","0.093","","","","","","1.09","","","","has coordinates,has Fobs","176674","2020-10-21","18:00:00",""
"2241555","8.5519","0.0002","18.9335","0.0004","8.9165","0.0003","90","","110.203","0.003","90","","1354.91","0.07","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(3aS,6R)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]thiazol-4(5H)-one","","- C13 H19 N3 O S -","- C13 H19 N3 O S -","- C52 H76 N12 O4 S4 -","4","2","SU5277","Ousidi, Abdellah N'ait; Itto, My Youssef Ait; Auhmani, Aziz; Riahi, Abdelkhalek; Daran, Jean-Claude; Abdelwahed, Auhmani","Crystal structure of 2-[(3aS,6R)-3,3,6-trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]thiazol-4(5H)-one","Acta Crystallographica Section E","2016","72","3","334","336","10.1107/S2056989016002498","","","0.71073","MoKα","","0.0378","0.0329","","","0.0743","0.0774","","","","","","1.044","","","","has coordinates,has Fobs","176675","2020-10-21","18:00:00",""
"2241556","7.1529","0.0001","29.5703","0.0005","9.6309","0.0002","90","","105.572","0.001","90","","1962.29","0.06","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","fac-Tricarbonyl(cyclohexyl isocyanide-κC)(quinoline-2-carboxylato-κ^2^N,O)rhenium(I)","","- C20 H17 N2 O5 Re -","- C20 H17 N2 O5 Re -","- C80 H68 N8 O20 Re4 -","4","1","WM5257","Triantis, Charalampos; Shegani, Antonio; Kiritsis, Christos; Raptopoulou, Catherine; Psycharis, Vassilis; Pelecanou, Maria; Pirmettis, Ioannis; Papadopoulos, Minas","Crystal structure of fac-tricarbonyl(cyclohexyl isocyanide-κC)(quinoline-2-carboxylato-κ^2^N,O)rhenium(I)","Acta Crystallographica Section E","2016","72","3","358","362","10.1107/S2056989016002206","","","1.54178","CuKα","","0.0458","0.0384","","","0.0894","0.102","","","","","","1.174","","","","has coordinates,has Fobs","176676","2020-10-21","18:00:00",""
"2241557","20.1391","0.0013","7.0651","0.0005","13.4942","0.0009","90","","106.582","0.002","90","","1840.2","0.2","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-methyl-1H-imidazol-3-ium) dihydroxidobis(oxalato-κ^2^O^1^,O^2^)stannate(IV) monohydrate","","- C12 H18 N4 O11 Sn -","- C12 H18 N4 O11 Sn -","- C48 H72 N16 O44 Sn4 -","4","1","WM5268","Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Maris, Thierry","Crystal structure of bis(2-methyl-1H-imidazol-3-ium) dihydroxidobis(oxalato-κ^2^O^1^,O^2^)stannate(IV) monohydrate","Acta Crystallographica Section E","2016","72","3","355","357","10.1107/S2056989016002061","","","1.34139","GaKα","","0.0403","0.0396","","","0.1004","0.101","","","","","","1.072","","","","has coordinates,has Fobs","176677","2020-10-21","18:00:00",""
"2241558","13.5605","0.0018","4.7386","0.0003","14.14","0.002","90","","118.181","0.019","90","","800.9","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(2-Acetamido-2-deoxy-β-D-glucopyranosyl)-N-(3-azidopropyl)-O-methylhydroxylamine","","- C12 H23 N5 O6 -","- C12 H23 N5 O6 -","- C24 H46 N10 O12 -","2","1","LH5798","Munneke, Stefan; Stocker, Bridget L.; Timmer, Mattie S. M.; Gainsford, Graeme J.","N-(2-Acetamido-2-deoxy-β-D-glucopyranosyl)-N-(3-azidopropyl)-O-methylhydroxylamine","Acta Crystallographica Section E","2016","72","3","340","342","10.1107/S2056989016002164","","","1.54184","CuKα","","0.0656","0.0594","","","0.1573","0.1648","","","","","","1.028","","","","has coordinates,has Fobs","176678","2020-10-21","18:00:00",""
"2241559","5.9093","0.0004","7.6258","0.0005","12.657","0.0008","87.802","0.005","78.329","0.005","87.427","0.005","557.76","0.06","298","2","298","2","","","","","","","","4","P 1","P 1","1","","2,5-Bis[(S)-(+)-(1,2,3,4-tetrahydro-1-naphthyl)imino]thiophene","","- C26 H26 N2 S -","- C26 H26 N2 S -","- C26 H26 N2 S -","1","1","SJ5495","Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René","Crystal structures of four chiral imine-substituted thiophene derivatives","Acta Crystallographica Section E","2016","72","3","350","354","10.1107/S2056989016002516","","","0.71073","MoKα","","0.0859","0.0576","","","0.1104","0.1265","","","","","","1.022","","","","has coordinates,has Fobs","176679","2020-10-21","18:00:00",""
"2241560","25.3917","0.0013","5.9488","0.0003","7.5623","0.0004","90","","97.174","0.004","90","","1133.34","0.1","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","2,5-Bis{[(R)-(-)-1-(4-methoxyphenyl)ethyl]iminomethyl}thiophene","","- C24 H26 N2 O2 S -","- C24 H26 N2 O2 S -","- C48 H52 N4 O4 S2 -","2","0.5","SJ5495","Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René","Crystal structures of four chiral imine-substituted thiophene derivatives","Acta Crystallographica Section E","2016","72","3","350","354","10.1107/S2056989016002516","","","0.71073","MoKα","","0.0487","0.0363","","","0.0768","0.0845","","","","","","1.02","","","","has coordinates,has Fobs","176679","2020-10-21","18:00:00",""
"2241561","21.1153","0.0016","7.7846","0.0006","6.1343","0.0005","90","","90","","90","","1008.32","0.14","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2,5-Bis{[(R)-(-)-1-(4-fluorophenyl)ethyl]iminomethyl}thiophene","","- C22 H20 F2 N2 S -","- C22 H20 F2 N2 S -","- C44 H40 F4 N4 S2 -","2","0.5","SJ5495","Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René","Crystal structures of four chiral imine-substituted thiophene derivatives","Acta Crystallographica Section E","2016","72","3","350","354","10.1107/S2056989016002516","","","0.71073","MoKα","","0.0704","0.0439","","","0.082","0.0918","","","","","","1.061","","","","has coordinates,has Fobs","176679","2020-10-21","18:00:00",""
"2241562","21.893","0.002","7.9212","0.0006","6.2315","0.0004","90","","90","","90","","1080.66","0.15","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2,5-Bis{[(S)-(+)-1-(4-chlorophenyl)ethyl]iminomethyl}thiophene","","- C22 H20 Cl2 N2 S -","- C22 H20 Cl2 N2 S -","- C44 H40 Cl4 N4 S2 -","2","0.5","SJ5495","Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René","Crystal structures of four chiral imine-substituted thiophene derivatives","Acta Crystallographica Section E","2016","72","3","350","354","10.1107/S2056989016002516","","","0.71073","MoKα","","0.1207","0.0517","","","0.0928","0.1173","","","","","","1.011","","","","has coordinates,has Fobs","176679","2020-10-21","18:00:00",""
"2241563","14.8821","0.0009","5.5847","0.0003","17.2971","0.0014","90","","105.847","0.002","90","","1382.96","0.16","90","","90","","","","","","","","","5","I 1 2 1","I 2y","5","","(+)-Methyl (E)-3-[(2S,4S,5R)-2-amino-5-(hydroxymethyl)-2-trichloromethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enoate","","- C10 H14 Cl3 N O5 -","- C10 H14 Cl3 N O5 -","- C40 H56 Cl12 N4 O20 -","4","1","IS5442","Oishi, Takeshi; Yasushima, Daichi; Yuasa, Kihiro; Sato, Takaaki; Chida, Noritaka","Crystal structure of (+)-methyl (E)-3-[(2S,4S,5R)-2-amino-5-hydroxymethyl-2-trichloromethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enoate","Acta Crystallographica Section E","2016","72","3","343","346","10.1107/S2056989016002474","","","0.71073","MoKα","","0.0269","0.0233","","","0.0502","0.0521","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176680","2020-10-21","18:00:00",""
"2241564","5.0968","0.0005","13.8189","0.0015","14.6993","0.0017","71.484","0.005","84.018","0.005","82.531","0.005","971.2","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-[2-(4-methylbenzoyl)-5-p-tolyl-1H-imidazol-1-yl]acetate","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C44 H44 N4 O6 -","2","1","SJ5493","Prabha, E. Arockia Jeya Yasmi; Kumar, S. Suresh; Padala, Anil K.; Ahmed, Qazi Naveed; Athimoolam, S.","Crystal structure of ethyl 2-[2-(4-methylbenzoyl)-5-p-tolyl-1H-imidazol-1-yl]acetate","Acta Crystallographica Section E","2016","72","3","347","349","10.1107/S2056989016002504","","","0.71073","MoKα","","0.0857","0.0539","","","0.1352","0.1675","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176681","2020-10-21","18:00:00",""
"2241565","10.8355","0.0002","10.8865","0.0002","14.5653","0.0002","90","","106.481","0.002","90","","1647.54","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5-Chloromethyl-N-methyl-4-[(4-phenyl-1,2,3-triazol-1-yl)methyl]isoxazolidine-3-carboxamide","","- C15 H18 Cl N5 O2 -","- C15 H18 Cl N5 O2 -","- C60 H72 Cl4 N20 O8 -","4","2","SU5281","Brahmi, Jihed; Nasri, Soumaya; Aouadi, Kaïss; Jeanneau, Erwann; Vidal, Sébastien; Msaddek, Moncef","Crystal structure of 5-chloromethyl-N-methyl-4-[(4-phenyl-1,2,3-triazol-1-yl)methyl]isoxazolidine-3-carboxamide","Acta Crystallographica Section E","2016","72","3","378","381","10.1107/S2056989016002784","","","1.54178","CuKα","","0.0392","0.0364","","","0.094","0.0977","","","","","","1.025","","","","has coordinates,has Fobs","176801","2020-10-21","18:00:00",""
"2241566","25.1891","0.001","5.8729","0.0002","15.508","0.0006","90","","90.124","0.003","90","","2294.14","0.15","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[[bis(pyridine-4-carbothioamide-κN^1^)cadmium]-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N] methanol disolvate]","","- C32 H40 Cd2 N12 O4 S8 -","- C32 H40 Cd2 N12 O4 S8 -","- C64 H80 Cd4 N24 O8 S16 -","2","0.25","","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of catena-poly[[[bis(pyridine-4-carbothioamide-κN^1^)cadmium]-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N] methanol disolvate]","Acta Crystallographica Section E","2016","72","3","370","373","10.1107/S2056989016002632","","","0.71073","MoKα","","0.0311","0.0255","","","0.0653","0.0669","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176802","2020-10-21","18:00:00",""
"2241567","7.4136","0.0005","7.507","0.0005","10.9519","0.0008","101.274","0.007","92.218","0.006","97.893","0.007","590.74","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(2-Phenyl-1H-indol-3-yl)ethanone","","- C16 H13 N O -","- C16 H13 N O -","- C32 H26 N2 O2 -","2","1","XU5883","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Crystal structures of four indole derivatives with a phenyl substituent at the 2-position and a carbonyl group at the 3-position: the C(6) N—H···O chain remains the same, but the weak reinforcing interactions are different","Acta Crystallographica Section E","2016","72","3","363","369","10.1107/S2056989016002620","","","0.71075","MoKα","","0.0436","0.0401","","","0.1116","0.1141","","","","","","1.071","","","","has coordinates,has Fobs","176803","2020-10-21","18:00:00",""
"2241568","7.3587","0.0005","13.225","0.001","17.5445","0.0013","90","","90","","90","","1707.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Cyclohexyl-1-(2-phenyl-1H-indol-3-yl)ethanone","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","XU5883","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Crystal structures of four indole derivatives with a phenyl substituent at the 2-position and a carbonyl group at the 3-position: the C(6) N—H···O chain remains the same, but the weak reinforcing interactions are different","Acta Crystallographica Section E","2016","72","3","363","369","10.1107/S2056989016002620","","","0.71075","MoKα","","0.0793","0.0511","","","0.089","0.0995","","","","","","1.205","","","","has coordinates,has Fobs","176803","2020-10-21","18:00:00",""
"2241569","23.3305","0.0016","23.3305","0.0016","15.3681","0.0011","90","","90","","120","","7244.3","0.9","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","3,3-Dimethyl-1-(2-phenyl-1H-indol-3-yl)butan-1-one","","- C20 H21 N O -","- C20 H21 N O -","- C360 H378 N18 O18 -","18","1","XU5883","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Crystal structures of four indole derivatives with a phenyl substituent at the 2-position and a carbonyl group at the 3-position: the C(6) N—H···O chain remains the same, but the weak reinforcing interactions are different","Acta Crystallographica Section E","2016","72","3","363","369","10.1107/S2056989016002620","","","0.71073","MoKα","","0.0449","0.0355","","","0.0884","0.0917","","","","","","1.078","","","","has coordinates,has Fobs","176803","2020-10-21","18:00:00",""
"2241570","14.5065","0.001","11.7911","0.0009","18.6961","0.0013","90","","107.782","0.002","90","","3045.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Benzoyl-2-phenyl-1H-indole","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","2","XU5883","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Crystal structures of four indole derivatives with a phenyl substituent at the 2-position and a carbonyl group at the 3-position: the C(6) N—H···O chain remains the same, but the weak reinforcing interactions are different","Acta Crystallographica Section E","2016","72","3","363","369","10.1107/S2056989016002620","","","0.71073","MoKα","","0.1179","0.0761","","","0.1896","0.2154","","","","","","1.045","","","","has coordinates,has Fobs","176803","2020-10-21","18:00:00",""
"2241571","8.0986","0.0004","12.9213","0.0006","13.7344","0.0007","90","","90","","90","","1437.23","0.12","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Aza-8-azoniabicyclo[5.4.0]undec-7-ene 4-aminobenzoate","","- C16 H23 N3 O2 -","- C16 H23 N3 O2 -","- C64 H92 N12 O8 -","4","1","PK2574","Smith, Graham; Lynch, Daniel E.","Crystal structures of three anhydrous salts of the Lewis base 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) with the ring-substituted benzoic acid analogues 4-aminobenzoic acid, 3,5-dinitrobenzoic acid and 3,5-dinitrosalicylic acid","Acta Crystallographica Section E","2016","72","3","382","386","10.1107/S205698901600267X","","","0.71073","MoKα","","0.055","0.0436","","","0.0887","0.0977","","","","","","1.067","","","","has coordinates,has Fobs","176804","2020-10-21","18:00:00",""
"2241572","6.0197","0.0004","19.6228","0.0013","14.3866","0.0008","90","","98.078","0.005","90","","1682.53","0.18","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Aza-8-azoniabicyclo[5.4.0]undec-7-ene 3,5-dinitrobenzoate","","- C16 H20 N4 O6 -","- C16 H20 N4 O6 -","- C64 H80 N16 O24 -","4","1","PK2574","Smith, Graham; Lynch, Daniel E.","Crystal structures of three anhydrous salts of the Lewis base 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) with the ring-substituted benzoic acid analogues 4-aminobenzoic acid, 3,5-dinitrobenzoic acid and 3,5-dinitrosalicylic acid","Acta Crystallographica Section E","2016","72","3","382","386","10.1107/S205698901600267X","","","0.71073","MoKα","","0.0621","0.0447","","","0.0989","0.1093","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176804","2020-10-21","18:00:00",""
"2241573","6.1537","0.0003","19.1541","0.0014","14.5527","0.0011","90","","98.343","0.006","90","","1697.2","0.2","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Aza-8-azoniabicyclo[5.4.0]undec-7-ene 2-hydroxy-3,5-dinitrobenzoate","","- C16 H20 N4 O7 -","- C16 H20 N4 O7 -","- C64 H80 N16 O28 -","4","1","PK2574","Smith, Graham; Lynch, Daniel E.","Crystal structures of three anhydrous salts of the Lewis base 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) with the ring-substituted benzoic acid analogues 4-aminobenzoic acid, 3,5-dinitrobenzoic acid and 3,5-dinitrosalicylic acid","Acta Crystallographica Section E","2016","72","3","382","386","10.1107/S205698901600267X","","","0.71073","MoKα","","0.0899","0.0576","","","0.1086","0.1227","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176804","2020-10-21","18:00:00",""
"2241574","12.0252","0.0013","14.3481","0.0015","15.3502","0.0011","90","","128.98","0.005","90","","2058.9","0.4","131","2","131","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquatris(1-ethyl-1H-imidazole-κN^3^)(sulfato-κO)nickel(II)","","- C15 H28 N6 Ni O6 S -","- C15 H28 N6 Ni O6 S -","- C60 H112 N24 Ni4 O24 S4 -","4","1","LH5802","Holczbauer, Tamas; Domjan, Attila; Fodor, Csaba","Crystal structure of diaquatris(1-ethyl-1H-imidazole-κN^3^)(sulfato-κO)nickel(II)","Acta Crystallographica Section E","2016","72","3","374","377","10.1107/S2056989016002863","","","0.71075","MoKα","","0.0372","0.0327","","","0.0788","0.0848","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176805","2020-10-21","18:00:00",""
"2241575","10.8861","0.0004","11.4899","0.0004","11.9171","0.0004","83.83","0.01","65.253","0.008","86.397","0.01","1345.6","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5''-Benzylidene-1'-methyl-4'-phenyltrispiro[acenaphthylene-1,2'-pyrrolidine-3',1''-cyclohexane-3'',2'''-[1,3]dioxane]-2,6''-dione","","- C36 H31 N O4 -","- C36 H31 N O4 -","- C72 H62 N2 O8 -","2","1","RZ5182","Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan","Crystal structure of 5''-benzylidene-1'-methyl-4'-phenyltrispiro[acenaphthylene-1,2'-pyrrolidine-3',1''-cyclohexane-3'',2'''-[1,3]dioxane]-2,6''-dione","Acta Crystallographica Section E","2016","72","3","387","390","10.1107/S2056989016002875","","","0.71073","MoKα","","0.0613","0.0381","","","0.0991","0.1217","","","","","","1.092","","","","has coordinates,has Fobs","176806","2020-10-21","18:00:00",""
"2241576","6.8948","0.0005","9.7219","0.0005","9.9621","0.0007","82.971","0.005","81.638","0.006","85.686","0.005","654.58","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-Methylbenzoic acid‒\ N,N'-bis(pyridin-4-ylmethyl)ethanediamide (2/1)","","- C30 H30 N4 O6 -","- C30 H30 N4 O6 -","- C30 H30 N4 O6 -","1","0.5","HB7566","Syed, Sabrina; Jotani, Mukesh M.; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T.","A 2:1 co-crystal of 2-methylbenzoic acid and N,N'-bis(pyridin-4-ylmethyl)ethanediamide: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","3","391","398","10.1107/S2056989016002735","","","0.71073","MoKα","","0.0577","0.0406","","","0.0942","0.106","","","","","","1.059","","","","has coordinates,has Fobs","176807","2020-10-21","18:00:00",""
"2241577","12.114","0.003","10.656","0.003","34.043","0.009","90","","90","","90","","4395","2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraethylammonium tribromido(2-methyl-1,3-benzothiazole-κN)platinate(II)","","- C16 H27 Br3 N2 Pt S -","- C16 H27 Br3 N2 Pt S -","- C128 H216 Br24 N16 Pt8 S8 -","8","1","BG2580","Carmona-Negrón, José A.; Cádiz, Mayra E.; Moore, Curtis E.; Rheingold, Arnold L.; Meléndez, Enrique","New platinum(II) complexes with benzothiazole ligands","Acta Crystallographica Section E","2016","72","3","412","416","10.1107/S2056989016002826","","","0.71073","MoKα","","0.0412","0.0314","","","0.0758","0.081","","","","","","1.033","","","","has coordinates,has Fobs","176875","2020-10-21","18:00:00",""
"2241578","7.7591","0.0002","30.4214","0.0008","9.6551","0.0003","90","","94.539","0.001","90","","2271.87","0.11","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetraethylammonium tribromido(6-methoxy-2-methyl-1,3-benzothiazole-κN)platinate(II)","","- C17 H29 Br3 N2 O Pt S -","- C17 H29 Br3 N2 O Pt S -","- C68 H116 Br12 N8 O4 Pt4 S4 -","4","1","","Carmona-Negrón, José A.; Cádiz, Mayra E.; Moore, Curtis E.; Rheingold, Arnold L.; Meléndez, Enrique","New platinum(II) complexes with benzothiazole ligands","Acta Crystallographica Section E","2016","72","3","412","416","10.1107/S2056989016002826","","","0.71073","MoKα","","0.0289","0.0266","","","0.0653","0.0663","","","","","","1.078","","","","has coordinates,has Fobs","176875","2020-10-21","18:00:00",""
"2241579","7.9742","0.0004","30.2807","0.0014","9.6427","0.0005","90","","100.151","0.003","90","","2291.9","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetraethylammonium tribromido(2,5,6-trimethyl-1,3-benzothiazole-κN)platinate(II)","","- C18 H31 Br3 N2 Pt S -","- C18 H31 Br3 N2 Pt S -","- C72 H124 Br12 N8 Pt4 S4 -","4","1","","Carmona-Negrón, José A.; Cádiz, Mayra E.; Moore, Curtis E.; Rheingold, Arnold L.; Meléndez, Enrique","New platinum(II) complexes with benzothiazole ligands","Acta Crystallographica Section E","2016","72","3","412","416","10.1107/S2056989016002826","","","0.71073","MoKα","","0.0454","0.0392","","","0.1017","0.1055","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176875","2020-10-21","18:00:00",""
"2241580","8.117","0.0003","29.2717","0.0012","9.5102","0.0004","90","","100.72","0.001","90","","2220.17","0.15","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetraethylammonium tribromido(2-methyl-5-nitro-1,3-benzothiazole-κN)platinate(II)","","- C16 H26 Br3 N3 O2 Pt S -","- C16 H26 Br3 N3 O2 Pt S -","- C64 H104 Br12 N12 O8 Pt4 S4 -","4","1","","Carmona-Negrón, José A.; Cádiz, Mayra E.; Moore, Curtis E.; Rheingold, Arnold L.; Meléndez, Enrique","New platinum(II) complexes with benzothiazole ligands","Acta Crystallographica Section E","2016","72","3","412","416","10.1107/S2056989016002826","","","0.71073","MoKα","","0.032","0.0288","","","0.0592","0.0602","","","","","","1.176","","","","has coordinates,has Fobs","176875","2020-10-21","18:00:00",""
"2241581","8.8574","0.0005","8.8833","0.0006","11.2391","0.0007","73.0839","0.0016","87.4301","0.0016","79.9801","0.0016","833.14","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Dichloridobis(dimethyl N-cyanodithioiminocarbonate)zinc","","- C8 H12 Cl2 N4 S4 Zn -","- C8 H12 Cl2 N4 S4 Zn -","- C16 H24 Cl4 N8 S8 Zn2 -","2","1","IS5443","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Crystal structure of dichloridobis(dimethyl N-cyanodithioiminocarbonate)zinc","Acta Crystallographica Section E","2016","72","3","417","419","10.1107/S2056989016002607","","","0.71073","MoKα","","0.0271","0.0249","","","0.0611","0.0624","","","","","","1.157","","","","has coordinates,has Fobs","176876","2020-10-21","18:00:00",""
"2241582","10.934","0.002","11.088","0.002","12.402","0.002","102.873","0.003","106.083","0.003","95.548","0.003","1388.1","0.4","173","1","173","2","","","","","","","","4","P -1","-P 1","2","","Bis(benzyltrimethylazanium) bis[(4SR,12SR,18RS,26RS)-4,18,26-trihydroxy-12-oxido-13,17-dioxaheptacyclo[14.10.0.0^3,14^.0^4,12^.0^6,11^.0^18,26^.0^19,24^]hexacosa-1,3(14),6,8,10,15,19,21,23-nonaene-5,25-dione] sesquihydrate","","- C68 H61 N2 O17.5 -","- C68 H61 N2 O17.5 -","- C68 H61 N2 O17.5 -","1","0.5","","Bengiat, Ravell; Gil, Maayan; Klein, Asne; Bogoslavsky, Benny; Cohen, Shmuel; Almog, Joseph","Bis(benzyltrimethylammonium) bis[(4SR,12SR,18RS,26RS)-4,18,26-trihydroxy-12-oxido-13,17-dioxaheptacyclo[14.10.0.0^3,14^.0^4,12^.0^6,11^.0^18,26^.0^19,24^]hexacosa-1,3(14),6,8,10,15,19,21,23-nonaene-5,25-dione] sesquihydrate: dimeric structure formation via [O—H—O]^{-^} negative charge-assisted hydrogen bonds ({‒CAHB)} with benzyltrimethylammonium counter-ions","Acta Crystallographica Section E","2016","72","3","399","402","10.1107/S2056989016002899","","","0.71073","MoKα","","0.0584","0.0446","","","0.103","0.1078","","","","","","0.986","","","","has coordinates,has Fobs","176877","2020-10-21","18:00:00",""
"2241583","14.6953","0.0006","9.7043","0.0003","12.1311","0.0004","90","","98.513","0.004","90","","1710.93","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(triethanolamine-κ^3^N,O,O')cobalt(II) bis[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate]","","- C30 H42 Co N4 O12 S2 -","- C30 H42 Co N4 O12 S2 -","- C60 H84 Co2 N8 O24 S4 -","2","0.5","PJ2027","Ashurov, Jamshid M.; Obidova, Nodira J.; Abdireymov, Hudaybergen B.; Ibragimov, Bakhtiyar T.","Crystal structure of the salt bis(triethanolamine-κ^3^N,O,O')cobalt(II) bis[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate]","Acta Crystallographica Section E","2016","72","3","420","423","10.1107/S2056989016002930","","","1.54184","CuKα","","0.0777","0.0605","","","0.1563","0.1748","","","","","","1.027","","","","has coordinates,has Fobs","176879","2020-10-21","18:00:00",""
"2241584","6.473","0.0013","11.449","0.002","10.385","0.002","90","","102.42","0.03","90","","751.6","0.3","243","2","243","2","","","","","","","","6","P 1 n 1","P -2yac","7","","trans-Dichlorido(1,4,8,11-tetraazaundecane-κ^4^N)chromium(III) perchlorate","","- C7 H20 Cl3 Cr N4 O4 -","- C7 H20 Cl3 Cr N4 O4 -","- C14 H40 Cl6 Cr2 N8 O8 -","2","1","WM5269","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of trans-dichlorido(1,4,8,11-tetraazaundecane-κ^4^N)chromium(III) perchlorate determined from synchrotron data","Acta Crystallographica Section E","2016","72","3","424","427","10.1107/S2056989016002978","","","0.62","synchrotron","","0.0279","0.0252","","","0.065","0.0658","","","","","","1.066","","","","has coordinates,has Fobs","176880","2020-10-21","18:00:00",""
"2241585","11.6193","0.0008","7.68","0.0005","11.3584","0.0008","90","","90","","90","","1013.58","0.12","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-[(E)-2-Phenylethenyl]phenol","","- C14 H12 O -","- C14 H12 O -","- C56 H48 O4 -","4","1","SU5278","Harrison, William T. A.; Plater, M. John; Yin, Lee J.","Investigations of new potential photo-acid generators: crystal structures of 2-[(E)-2-phenylethenyl]phenol (orthorhombic polymorph) and (2E)-3-(2-bromophenyl)-2-phenylprop-2-enoic acid","Acta Crystallographica Section E","2016","72","3","407","411","10.1107/S2056989016002942","","","0.71073","MoKα","","0.0362","0.0341","","","0.0901","0.0913","","","","","","1.058","","","","has coordinates,has disorder","176881","2020-10-21","18:00:00",""
"2241586","13.89","0.001","10.9048","0.0008","17.8121","0.001","90","","106.064","0.001","90","","2592.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E)-3-(2-Bromophenyl)-2-phenylprop-2-enoic acid","","- C15 H11 Br O2 -","- C15 H11 Br O2 -","- C120 H88 Br8 O16 -","8","2","SU5278","Harrison, William T. A.; Plater, M. John; Yin, Lee J.","Investigations of new potential photo-acid generators: crystal structures of 2-[(E)-2-phenylethenyl]phenol (orthorhombic polymorph) and (2E)-3-(2-bromophenyl)-2-phenylprop-2-enoic acid","Acta Crystallographica Section E","2016","72","3","407","411","10.1107/S2056989016002942","","","0.71073","MoKα","","0.0289","0.0245","","","0.0615","0.0634","","","","","","1.038","","","","has coordinates","176881","2020-10-21","18:00:00",""
"2241587","10.443","0.005","16.154","0.009","10.891","0.006","90","","91.259","0.01","90","","1836.8","1.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(N-tert-butylbenzamidinium) hexachloridozirconate(IV) dichloromethane disolvate","","- C24 H38 Cl10 N4 Zr -","- C24 H38 Cl10 N4 Zr -","- C48 H76 Cl20 N8 Zr2 -","2","0.5","XU5884","Jiang, Zhi-Hao; Zhao, Jian-Ping; Ma, Xiu-Ming; Bai, Sheng-Di","Crystal structure of bis(N-tert-butylbenzamidinium) hexachloridozirconate(IV) dichloromethane disolvate","Acta Crystallographica Section E","2016","72","4","432","435","10.1107/S2056989016003030","","","0.71073","MoKα","","0.1045","0.0714","","","0.1839","0.2132","","","","","","1.003","","","","has coordinates,has Fobs","177152","2020-10-21","18:00:00",""
"2241588","24.96","0.002","5.1055","0.0004","12.4664","0.0009","90","","117.545","0.005","90","","1408.6","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Isonicotinamide Hydrochloride","4-Carbamoylpyridinium chloride","","- C6 H7 Cl N2 O -","- C6 H7 Cl N2 O -","- C48 H56 Cl8 N16 O8 -","8","1","ZL2658","Fellows, Simon M.; Prior, Timothy J.","Crystal structure of 4-carbamoylpyridinium chloride","Acta Crystallographica Section E","2016","72","4","436","439","10.1107/S2056989016003340","","","0.71073","MoKα","","0.0405","0.0337","","","0.0911","0.0931","","","","","","1.011","","","","has coordinates,has Fobs","177591","2020-10-21","18:00:00",""
"2241589","9.5867","0.0004","16.3018","0.0007","22.8548","0.001","104.179","0.002","94.449","0.002","91.992","0.002","3447.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis[(acetato-κO)(imidazolidine-2-thione-κS)bis(triphenylphosphane-κP)silver(I)] di-μ-imidazolidine-2-thione-κ^4^S:S-bis[(imidazolidine-2-thione-κS)bis(triphenylphosphane-κP)silver(I)] diacetate acetonitrile disolvate tetrahydrate","","- C138 H152 Ag4 N14 O12 P6 S6 -","- C138 H152 Ag4 N14 O12 P6 S6 -","- C138 H152 Ag4 N14 O12 P6 S6 -","1","0.5","","Nimthong-Roldán, Arunpatcha; Ratthiwan, Janejira; Lakmas, Sawanya; Wattanakanjana, Yupa","Crystal structure of bis[(acetato-κO)(imidazolidine-2-thione-κS)bis(triphenylphosphane-κP)silver(I)] di-μ-imidazolidine-2-thione-κ^4^S:S-bis[(imidazolidine-2-thione-κS)bis(triphenylphosphane-κP)silver(I)] diacetate acetonitrile disolvate tetrahydrate","Acta Crystallographica Section E","2016","72","4","444","447","10.1107/S205698901600308X","","","0.71073","MoKα","","0.0483","0.0421","","","0.0859","0.088","","","","","","1.259","","","","has coordinates,has Fobs","177592","2020-10-21","18:00:00",""
"2241590","26.9108","0.001","18.3506","0.0006","13.4494","0.0004","90","","90","","90","","6641.7","0.4","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","Octakis(N,N-dimethylformamide-κO)europium(III) tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdate(VI)","","- C24 H56 Eu Mo12 N8 O48 P -","- C24 H56 Eu Mo12 N8 O48 P -","- C96 H224 Eu4 Mo48 N32 O192 P4 -","4","1","WM5274","Ghandour, Yassine; Hammami, Imen; Najmudin, Shabir; Bonifácio, Cecilia; Belkhiria, Mohamed Salah","Crystal structure of octakis(N,N-dimethylformamide-κO)europium(III) tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdate(VI)","Acta Crystallographica Section E","2016","72","4","448","451","10.1107/S2056989016003546","","","0.71073","MoKα","","0.1086","0.0471","","","0.079","0.0947","","","","","","0.975","","","","has coordinates,has Fobs","177593","2020-10-21","18:00:00",""
"2241591","7.1755","0.0003","11.5855","0.0003","17.2515","0.0005","90","","90.36","0.003","90","","1434.12","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-9-(4-Nitrobenzylidene)-8,9-dihydropyrido[2,3-d]pyrrolo[1,2-a]pyrimidin-5(7H)-one","","- C17 H12 N4 O3 -","- C17 H12 N4 O3 -","- C68 H48 N16 O12 -","4","1","SU5283","Khodjaniyazov, Khamid U.; Ashurov, Jamshid M.","Crystal structure of (E)-9-(4-nitrobenzylidene)-8,9-dihydropyrido[2,3-d]pyrrolo[1,2-a]pyrimidin-5(7H)-one","Acta Crystallographica Section E","2016","72","4","452","455","10.1107/S2056989016003583","","","1.54184","CuKα","","0.076","0.0571","","","0.161","0.1751","","","","","","1.084","","","","has coordinates,has Fobs","177594","2020-10-21","18:00:00",""
"2241592","8.849","0.004","5.336","0.001","14.994","0.005","90","","99.21","0.02","90","","698.9","0.4","299","2","299","2","","","","","","","","3","P 1 21 1","P 2yb","4","Sesquiterpene","1-(6-Hydroxy-7-(propan-2-yl)-4-methylidene-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethanone","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","LH5803","Bauri, A. K.; Foro, Sabine; Do, Nhu Quynh Nguyen","Crystal structure of a bioactive sesquiterpene isolated from Artemisia reticulata","Acta Crystallographica Section E","2016","72","4","460","462","10.1107/S2056989016003236","","","1.5418","CuKα","","0.0657","0.0596","","","0.1568","0.1639","","","","","","1.102","","","","has coordinates,has Fobs","177595","2020-10-21","18:00:00",""
"2241593","8.3365","0.0017","10.453","0.002","19.03","0.004","90","","90","","90","","1658.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[(4-aminopyridine-κN)(N,N-dimethylformamide-κO)(μ~3~-pyridine-3,5-dicarboxylato-κ^3^N:O^3^:O^5^)copper(II)]","","- C15 H16 Cu N4 O5 -","- C15 H16 Cu N4 O5 -","- C60 H64 Cu4 N16 O20 -","4","1","LH5806","Shen, Cheng-Chen; Hua, Xiu-Ni; Han, Lei","Crystal structure of poly[(4-aminopyridine-κN)(N,N-dimethylformamide-κO)(μ~3~-pyridine-3,5-dicarboxylato-κ^3^N:O^3^:O^5^)copper(II)]","Acta Crystallographica Section E","2016","72","4","440","443","10.1107/S205698901600342X","","","0.71073","MoKα","","0.0635","0.0385","","","0.0868","0.1322","","","","","","1.145","","","","has coordinates,has Fobs","177596","2020-10-21","18:00:00",""
"2241594","7.2738","0.0009","21.426","0.002","8.0152","0.0009","90","","100.88","0.01","90","","1226.7","0.2","299","2","299","2","","","","","","","","3","P 1 21 1","P 2yb","4","","9-Hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","2","SU5279","Bauri, A. K.; Foro, Sabine; Nguyen Do, Nhu Quynh","Crystal structure of a photobiologically active furanocoumarin from Artemisia reticulata","Acta Crystallographica Section E","2016","72","4","463","466","10.1107/S2056989016003303","","","1.5418","CuKα","","0.0692","0.0573","","","0.1362","0.1483","","","","","","1.082","","","","has coordinates,has Fobs","177597","2020-10-21","18:00:00",""
"2241595","9.398","0.0019","14.876","0.003","17.981","0.004","66.03","0.03","76.03","0.03","78.74","0.03","2215.7","1","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","trans-Diammine(1,4,8,11-tetraazacyclotetradecane-κN^4^)chromium(III) tetrachloridozincate chloride monohydrate","","- C10 H32 Cl5 Cr N6 O Zn -","- C10 H32 Cl5 Cr N6 O Zn -","- C40 H128 Cl20 Cr4 N24 O4 Zn4 -","4","2","WM5272","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of trans-diammine(1,4,8,11-tetraazacyclotetradecane-κ^4^N)chromium(III) tetrachloridozincate chloride monohydrate from synchrotron data","Acta Crystallographica Section E","2016","72","4","456","459","10.1107/S205698901600356X","","","0.62","synchrotron","","0.0351","0.0292","","","0.0817","0.084","","","","","","1.072","","","","has coordinates,has Fobs","177598","2020-10-21","18:00:00",""
"2241596","6.1616","0.0007","7.3109","0.0008","13.4537","0.0015","96.771","0.001","103.049","0.002","96.607","0.001","579.96","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","(E,E)-2',4'-Dihydroxyacetophenone azine dimethylformamide disolvate","4,4'-[1,1'-(Hydrazinediylidene)bis(ethan-1-yl-1-ylidene)]bis(benzene-1,3-diol)","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","1","0.5","XU5885","Li, Wen-Juan; Han, Hong-Fei","Crystal structure of (E,E)-2',4'-dihydroxyacetophenone azine dimethylformamide disolvate","Acta Crystallographica Section E","2016","72","4","467","469","10.1107/S2056989016003686","","","0.71073","MoKα","","0.0825","0.0554","","","0.1551","0.1874","","","","","","1.021","","","","has coordinates,has Fobs","178112","2020-10-21","18:00:00",""
"2241597","8.8487","0.0013","8.1514","0.0011","29.284","0.004","90","","90","","90","","2112.2","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 4-bromo-2-(methoxymethoxy)benzoate","","- C10 H11 Br O4 -","- C10 H11 Br O4 -","- C80 H88 Br8 O32 -","8","1","","Suchetan, P. A.; Suneetha, V.; Naveen, S.; Lokanath, N. K.; Krishna Murthy, P.","Comparison of the crystal structures of methyl 4-bromo-2-(methoxymethoxy)benzoate and 4-bromo-3-(methoxymethoxy)benzoic acid","Acta Crystallographica Section E","2016","72","4","477","481","10.1107/S2056989016003777","","","1.54178","CuKα","","0.0529","0.0522","","","0.1382","0.1392","","","","","","1.136","","","","has coordinates","178113","2020-10-21","18:00:00",""
"2241598","7.7211","0.0003","9.6881","0.0004","14.2627","0.0006","73.635","0.001","77.664","0.001","69.577","0.001","951.4","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-Bromo-3-(methoxymethoxy)benzoic acid","","- C9 H9 Br O4 -","- C9 H9 Br O4 -","- C36 H36 Br4 O16 -","4","2","","Suchetan, P. A.; Suneetha, V.; Naveen, S.; Lokanath, N. K.; Krishna Murthy, P.","Comparison of the crystal structures of methyl 4-bromo-2-(methoxymethoxy)benzoate and 4-bromo-3-(methoxymethoxy)benzoic acid","Acta Crystallographica Section E","2016","72","4","477","481","10.1107/S2056989016003777","","","1.54178","CuKα","","0.0401","0.039","","","0.1184","0.1203","","","","","","1.094","","","","has coordinates","178113","2020-10-21","18:00:00",""
"2241599","8.8421","0.0002","8.8636","0.0002","10.5686","0.0002","70.114","0.001","88.6311","0.001","66.765","0.001","709.87","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis{μ~2~-3-(pyridin-2-yl)-5-[(1,2,4-triazol-1-yl)methyl]-1,2,4-triazolato}bis[aquanitratocopper(II)] dihydrate","","- C20 H24 Cu2 N16 O10 -","- C20 H24 Cu2 N16 O10 -","- C20 H24 Cu2 N16 O10 -","1","0.5","RZ5185","Doroschuk, Roman","Crystal structure of bis{μ~2~-3-(pyridin-2-yl)-5-[(1,2,4-triazol-1-yl)methyl]-1,2,4-triazolato}bis[aquanitratocopper(II)] dihydrate","Acta Crystallographica Section E","2016","72","4","486","488","10.1107/S2056989016003479","","","0.71073","MoKα","","0.0295","0.027","","","0.0716","0.073","","","","","","1.073","","","","has coordinates,has Fobs","178114","2020-10-21","18:00:00",""
"2241600","19.9014","0.0004","8.7044","0.0002","27.1181","0.0005","90","","90.753","0.001","90","","4697.26","0.17","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis{bis(azido-κN)bis[bis(pyridin-2-yl-κN)amine]cobalt(III)} sulfate dihydrate","","- C40 H40 Co2 N24 O6 S -","- C40 H40 Co2 N24 O6 S -","- C160 H160 Co8 N96 O24 S4 -","4","0.5","ZL2656","Setifi, Fatima; Knaust, Jacqueline M.; Setifi, Zouaoui; Touzani, Rachid","Bis{bis(azido-κN)bis[bis(pyridin-2-yl-κN)amine]cobalt(III)} sulfate dihydrate","Acta Crystallographica Section E","2016","72","4","470","476","10.1107/S2056989016003662","","","0.71073","MoKα","","0.0989","0.0431","","","0.0818","0.0939","","","","","","0.901","","","","has coordinates,has Fobs","178117","2020-10-21","18:00:00",""
"2241601","17.533","0.001","13.8815","0.0007","16.6179","0.0008","90","","104.771","0.006","90","","3910.9","0.4","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tetrakis[μ~2~-2-(dimethylamino)ethanolato-κ^3^N,O:O]di-μ~3~-hydroxido-dithiocyanato-κ^2^N-dichromium(III)dilead(II) dithiocyanate acetonitrile monosolvate","","- C22 H45 Cr2 N9 O6 Pb2 S4 -","- C20 H42 Cr2 N8 O6 Pb2 S4 -","- C80 H168 Cr8 N32 O24 Pb8 S16 -","4","0.5","IS5439","Rusanova, Julia A.; Semenaka, Valentyna V.; Omelchenko, Irina V.","Crystal structure of tetrakis[μ~2~-2-(dimethylamino)ethanolato-κ^3^N,O:O]di-μ~3~-hydroxido-dithiocyanato-κ^2^N-dichromium(III)dilead(II) dithiocyanate acetonitrile monosolvate","Acta Crystallographica Section E","2016","72","4","489","491","10.1107/S2056989016003996","","","0.71073","MoKα","","0.0594","0.0349","","","0.0526","0.058","","","","","","0.928","","","","has coordinates,has Fobs","178118","2020-10-21","18:00:00",""
"2241602","14.1402","0.0011","6.2297","0.0005","7.4571","0.0006","90","","90","","90","","656.89","0.09","110","","110","","","","","","","","","4","P n m a","-P 2ac 2n","62","","2-Methyl-1H-imidazol-3-ium nitrate","","- C4 H7 N3 O3 -","- C4 H7 N3 O3 -","- C16 H28 N12 O12 -","4","0.5","WM5276","Diop, Mouhamadou Birame; Diop, Libasse; Maris, Thierry","Crystal structures of the two salts 2-methyl-1H-imidazol-3-ium nitrate‒2-methyl-1H-imidazole (1/1) and 2-methyl-1H-imidazol-3-ium nitrate","Acta Crystallographica Section E","2016","72","4","482","485","10.1107/S2056989016003789","","","1.34139","GaKα","","0.0515","0.0491","","","0.1426","0.1459","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","178119","2020-10-21","18:00:00",""
"2241603","10.1879","0.0004","10.0912","0.0004","11.9055","0.0005","90","","115.188","0.002","90","","1107.6","0.08","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Methyl-1H-imidazol-3-ium nitrate‒2-methyl-1H-imidazole (1/1)","","- C8 H13 N5 O3 -","- C8 H13 N5 O3 -","- C32 H52 N20 O12 -","4","0.5","WM5276","Diop, Mouhamadou Birame; Diop, Libasse; Maris, Thierry","Crystal structures of the two salts 2-methyl-1H-imidazol-3-ium nitrate‒2-methyl-1H-imidazole (1/1) and 2-methyl-1H-imidazol-3-ium nitrate","Acta Crystallographica Section E","2016","72","4","482","485","10.1107/S2056989016003789","","","1.34139","GaKα","","0.0367","0.0344","","","0.0983","0.1002","","","","","","1.039","","","","has coordinates,has Fobs","178119","2020-10-21","18:00:00",""
"2241604","23.038","0.002","23.038","0.002","18.4214","0.0017","90","","90","","120","","8467.3","1.3","296","2","296","2","","","","","","","","7","R 3","R 3","146","","Tris[bis(triphenylphosphoranylidene)ammonium] tris(μ~2~-4-chloropyrazolato-κ^2^N:N')-μ~3~-oxido-tris[(nitrato-κ^2^O,O')cuprate(II)] nitrate monohydrate","","- C117 H98 Cl3 Cu3 N13 O14 P6 -","- C117 H98 Cl3 Cu3 N13 O14 P6 -","- C351 H294 Cl9 Cu9 N39 O42 P18 -","3","","WM4004","Mathivathanan, Logesh; Cruz, Raquel; Raptis, Raphael G.","A [Cu~3~(μ~3~-O)]‒pyrazolate metallacycle with terminal nitrate ligands exhibiting point group symmetry 3","Acta Crystallographica Section E","2016","72","4","492","494","10.1107/S2056989016003741","","","0.71073","MoKα","","0.0466","0.034","","","0.0811","0.0882","","","","","","1.027","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2241605","8.2903","0.0003","8.2903","0.0003","8.2903","0.0003","90","","90","","90","","569.78","0.04","298","2","298","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium diiron(III) germanium tetraoxide","","- Fe2.15 Ge0.21 Li0.64 O4 -","- Fe2.151 Ge0.205 Li0.644 O4 -","- Fe17.208 Ge1.64 Li5.152 O32 -","8","0.0416667","WM5279","Redhammer, Günther J.; Tippelt, Gerold","Crystal structure of spinel-type Li~0.64~Fe~2.15~Ge~0.21~O~4~","Acta Crystallographica Section E","2016","72","4","505","508","10.1107/S205698901600414X","","","0.71073","MoKα","","0.0186","0.0178","","","","0.0419","","","","","","1.367","","","","has coordinates,has Fobs","178197","2020-10-21","18:00:00",""
"2241606","10.612","0.0004","10.8219","0.0004","21.7591","0.0008","90","","90","","90","","2498.86","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-Bis(diethanolamine-κ^3^O,N,O')manganese(II) bis(3-aminobenzoate)","","- C22 H34 Mn N4 O8 -","- C22 H34 Mn N4 O8 -","- C88 H136 Mn4 N16 O32 -","4","0.5","WM5277","Ibragimov, Aziz B.; Zakirov, Bakhtiyar S.; Ashurov, Jamshid M.","Crystal structure of trans-bis(diethanolamine-κ^3^O,N,O')manganese(II) bis(3-aminobenzoate)","Acta Crystallographica Section E","2016","72","4","502","504","10.1107/S2056989016004072","","","1.54184","CuKα","","0.0736","0.0445","","","0.1108","0.1359","","","","","","1.056","","","","has coordinates,has Fobs","178198","2020-10-21","18:00:00",""
"2241607","27.3226","0.0005","7.3618","0.0002","14.6742","0.0004","90","","93.905","0.001","90","","2944.77","0.13","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cytosinium hydrogen maleate","Cytosinium hydrogen maleate‒cytosine (1/1)","","- C12 H14 N6 O6 -","- C12 H14 N6 O6 -","- C96 H112 N48 O48 -","8","1","SU5280","Fábry, Jan","Redetermination of cytosinium hydrogen maleate‒cytosine (1/1) from the original data","Acta Crystallographica Section E","2016","72","4","509","511","10.1107/S2056989016003923","","","0.71073","MoKα","","0.0654","0.038","","","0.0864","0.0928","","","","","","1.85","","","","has coordinates,has Fobs","178199","2020-10-21","18:00:00",""
"2241608","12.9646","0.0004","10.8636","0.0003","15.6297","0.0005","90","","111.596","0.003","90","","2046.79","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(N,N-diethylnicotinamide-κN^1^)bis(2,4,6-trimethylbenzoato-κO^1^)cobalt(II)","","- C40 H54 Co N4 O8 -","- C40 H54 Co N4 O8 -","- C80 H108 Co2 N8 O16 -","2","0.5","WM5273","Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Özkaya, Safiye; Çatak Çelik, Raziye; Hökelek, Tuncer","Crystal structure of diaquabis(N,N-diethylnicotinamide-κN^1^)bis(2,4,6-trimethylbenzoato-κO^1^)cobalt(II)","Acta Crystallographica Section E","2016","72","4","498","501","10.1107/S2056989016004059","","","0.71073","MoKα","","0.0921","0.0628","","","0.1393","0.155","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","178200","2020-10-21","18:00:00",""
"2241609","10.5797","0.0002","14.5528","0.0003","6.6441","0.0003","90","","105.608","0.009","90","","985.23","0.07","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Tetrasodium hepta(cobalt/aluminium) hexa(arsenate/phosphate)","","- Al1.08 As5.3 Co5.4 Na4 O24 P0.7 -","- Al1.081 As5.298 Co5.399 Na4 O24 P0.702 -","- Al2.162 As10.596 Co10.798 Na8 O48 P1.404 -","2","0.25","BR2258","Issaoui, Chokri; Chebbi, Hammouda; Guesmi, Abderrahmen","Crystal structure of Na~4~Co~7{-~x}Al~0.67x~(As~1{-~y}P~y~O~4~)~6~ (x~= 1.60; y = 0.116)","Acta Crystallographica Section E","2016","72","4","495","497","10.1107/S205698901600400X","","","0.71073","MoKα","","0.045","0.0297","","","0.0765","0.083","","","","","","1.065","","","","has coordinates,has Fobs","178201","2020-10-21","18:00:00",""
"2241610","20.7896","0.001","4.6965","0.0002","32.5217","0.0013","90","","95.004","0.004","90","","3163.3","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[(1E)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]-6-methoxyphenol","","- C16 H16 N2 O2 S2 -","- C16 H16 N2 O2 S2 -","- C128 H128 N16 O16 S16 -","8","1","HB7572","Yusof, Enis Nadia Md; Jotani, Mukesh M.; Tiekink, Edward R. T.; Ravoof, Thahira B. S. A.","2-[(1E)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]-6-methoxyphenol: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","4","516","521","10.1107/S2056989016004291","","","0.71073","MoKα","","0.0566","0.041","","","0.0887","0.0973","","","","","","1.059","","","","has coordinates,has Fobs","178343","2020-10-21","18:00:00",""
"2241611","6.6358","0.0004","7.556","0.0005","27.4226","0.0016","90","","94.418","0.002","90","","1370.89","0.15","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-dimethoxypyrimidin-1-ium 4-aminobenzoate","","- C13 H16 N4 O4 -","- C13 H16 N4 O4 -","- C52 H64 N16 O16 -","4","1","SU5289","Fábry, Jan","A redetermination from the original data of the crystal structure of 2-amino-4,6-dimethoxypyrimidin-1-ium 4-aminobenzoate","Acta Crystallographica Section E","2016","72","4","512","515","10.1107/S2056989016004321","","","0.71073","MoKα","","0.0581","0.037","","","0.0805","0.0844","","","","","","1.91","","","","has coordinates,has Fobs","178344","2020-10-21","18:00:00",""
"2241612","7.8768","0.0003","12.2939","0.0005","12.612","0.0004","95.692","0.003","97.267","0.003","103.574","0.003","1167.09","0.08","183.05","0.1","183.05","0.1","","","","","","","","5","P -1","-P 1","2","","trans-Dichlorido[3-methyl-1-(4-vinylbenzyl)-1H-imidazol-3-ium-2-yl-κC^2^](4-phenylpyridine-κN)palladium(II)","","- C24 H23 Cl2 N3 Pd -","- C24 H23 Cl2 N3 Pd -","- C48 H46 Cl4 N6 Pd2 -","2","1","","Majeed, Maitham H.; Wendt, Ola F.","Synthesis and crystal structure of trans-dichlorido[3-methyl-1-(4-vinylbenzyl)-1H-imidazol-3-ium-2-yl-κC^2^](4-phenylpyridine-κN)palladium(II)","Acta Crystallographica Section E","2016","72","4","534","537","10.1107/S2056989016004394","","","0.71073","MoKα","","0.0345","0.0269","","","0.0629","0.0675","","","","","","1.043","","","","has coordinates,has Fobs","179285","2020-10-21","18:00:00",""
"2241613","4.7613","0.0007","10.8925","0.0017","15.054","0.002","107.263","0.003","94.06","0.003","94.549","0.003","739.56","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-aminoanilinium) hydrogen phosphate","","- C12 H19 N4 O4 P -","- C12 H19 N4 O4 P -","- C24 H38 N8 O8 P2 -","2","1","RZ5186","Ittyachan, Reena; Ahigna, Melesuparambil Sundaram; Jagan, Rajamony","Crystal structure of bis(2-aminoanilinium) hydrogen phosphate","Acta Crystallographica Section E","2016","72","4","530","533","10.1107/S2056989016004709","","","0.71073","MoKα","","0.0705","0.0522","","","0.1076","0.1186","","","","","","1.16","","","","has coordinates,has Fobs","179286","2020-10-21","18:00:00",""
"2241614","10.7061","0.0005","12.2157","0.0005","14.6159","0.0008","65.52","0.005","79.6","0.004","82.417","0.004","1707.6","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(triethanolamine-κ^4^N,O,O',O'')cadmium bis[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate]","","- C30 H42 Cd N4 O12 S2 -","- C30 H42 Cd N4 O12 S2 -","- C60 H84 Cd2 N8 O24 S4 -","2","1","WM5280","Ashurov, Jamshid Mengnorovich","Crystal structure of the salt bis(triethanolamine-κ^4^N,O,O',O'')cadmium bis[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate]","Acta Crystallographica Section E","2016","72","4","526","529","10.1107/S2056989016004515","","","1.54184","CuKα","","0.0428","0.04","","","0.1041","0.1067","","","","","","1.064","","","","has coordinates,has Fobs","179287","2020-10-21","18:00:00",""
"2241615","16.5415","0.0009","14.66","0.0011","17.0026","0.0012","90","","90","","90","","4123.1","0.5","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(OC-6-42)-Acetonitrilechloridobis[2-(pyridin-2-yl)phenyl-κ^2^N,C^1^]rhodium(III)","","- C24 H19 Cl N3 Rh -","- C24 H19 Cl N3 Rh -","- C192 H152 Cl8 N24 Rh8 -","8","1","IS5448","Sakate, Mika; Hosoda, Haruka; Suzuki, Takayoshi","Crystal structures of bis[2-(pyridin-2-yl)phenyl-κ^2^N,C^1^]rhodium(III) complexes containing an acetonitrile or monodentate thyminate(1{-}) ligand","Acta Crystallographica Section E","2016","72","4","543","547","10.1107/S2056989016004837","","","0.71075","MoKα","","0.0258","0.0237","","","0.0592","0.0602","","","","","","1.071","","","","has coordinates,has Fobs","179691","2020-10-21","18:00:00",""
"2241616","10.6964","0.0007","15.5329","0.0009","32.6325","0.0015","90","","90","","90","","5421.8","0.5","192","2","192","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(OC-6-42)-Methanol(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ido-κN^1^)bis[2-(pyridin-2-yl)phenyl-κ^2^N,C^1^]rhodium(III)","","- C29 H30 N4 O4.5 Rh -","- C29 H29 N4 O4.5 Rh -","- C232 H232 N32 O36 Rh8 -","8","1","IS5448","Sakate, Mika; Hosoda, Haruka; Suzuki, Takayoshi","Crystal structures of bis[2-(pyridin-2-yl)phenyl-κ^2^N,C^1^]rhodium(III) complexes containing an acetonitrile or monodentate thyminate(1{-}) ligand","Acta Crystallographica Section E","2016","72","4","543","547","10.1107/S2056989016004837","","","0.71075","MoKα","","0.0407","0.0343","","","0.0916","0.0957","","","","","","1.038","","","","has coordinates,has Fobs","179691","2020-10-21","18:00:00",""
"2241617","11.1082","0.0005","15.5556","0.0006","32.6747","0.0015","90","","90","","90","","5646","0.4","192","2","192","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(OC-6-42)-Ethanol(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ido-κN^1^)bis[2-(pyridin-2-yl)phenyl-κ^2^N,C^1^]rhodium(III)","","- C31 H33 N4 O4 Rh -","- C31 H33 N4 O4 Rh -","- C248 H264 N32 O32 Rh8 -","8","1","IS5448","Sakate, Mika; Hosoda, Haruka; Suzuki, Takayoshi","Crystal structures of bis[2-(pyridin-2-yl)phenyl-κ^2^N,C^1^]rhodium(III) complexes containing an acetonitrile or monodentate thyminate(1{-}) ligand","Acta Crystallographica Section E","2016","72","4","543","547","10.1107/S2056989016004837","","","0.71075","MoKα","","0.0322","0.0291","","","0.0741","0.0757","","","","","","1.072","","","","has coordinates,has Fobs","179691","2020-10-21","18:00:00",""
"2241618","15.973","0.003","18.639","0.003","22.785","0.004","90","","101.757","0.004","90","","6641","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[μ~2~-9,10-bis(oxidoimino)phenanthrene]bis[μ~2~-10-(oxidoimino)phenanthrene-9-one oxime](phenanthrene-9,10-dione dioxime)trinickel(II) toluene disolvate","","- C84 H60 N10 Ni3 O10 -","- C84 H60 N10 Ni3 O10 -","- C336 H240 N40 Ni12 O40 -","4","1","PK2575","Williams, Owen M.; Cowley, Alan H.","Trinuclear nickel coordination complexes of phenanthrene-9,10-dione dioxime","Acta Crystallographica Section E","2016","72","4","538","542","10.1107/S2056989016004023","","","0.71069","MoKα","","0.0746","0.067","","","0.1467","0.1507","","","","","","1.211","","","","has coordinates,has disorder,has Fobs","179692","2020-10-21","18:00:00",""
"2241619","15.6414","0.0008","30.8358","0.0011","14.738","0.0008","90","","112.411","0.006","90","","6571.5","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Bis(μ~2~-bis{[10-(oxidoimino)-9,10-dihydrophenanthren-9-ylidene]amino} difluoroborato)(phenanthrene-9,10-dione dioxime)trinickel(II) dichloromethane trisolvate","","- C73 H48 B2 Cl6 F4 N10 Ni3 O10 -","- C70 H42 B2 F4 N10 Ni3 O10 -","- C280 H168 B8 F16 N40 Ni12 O40 -","4","1","PK2575","Williams, Owen M.; Cowley, Alan H.","Trinuclear nickel coordination complexes of phenanthrene-9,10-dione dioxime","Acta Crystallographica Section E","2016","72","4","538","542","10.1107/S2056989016004023","","","1.54184","CuKα","","0.1112","0.0771","","","0.1914","0.2264","","","","","","1.03","","","","has coordinates,has Fobs","179692","2020-10-21","18:00:00",""
"2241620","8.0427","0.0017","10.343","0.002","11.007","0.002","104.469","0.002","95.12","0.002","102.851","0.002","854.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","FNWI-021","4'-Bromo-2',5'-dimethoxy-2,5-dioxo-[1,1'-biphenyl]-3,4-dicarbonitrile benzene hemisolvate","","- C19 H12 Br N2 O4 -","- C19 H12 Br N2 O4 -","- C38 H24 Br2 N4 O8 -","2","1","HB7567","Meany, Joseph E.; Gerlach, Deidra L.; Papish, Elizabeth T.; Woski, Stephen A.","Crystal structure of 4'-bromo-2',5'-dimethoxy-2,5-dioxo-[1,1'-biphenyl]-3,4-dicarbonitrile [BrHBQ(CN)~2~] benzene hemisolvate","Acta Crystallographica Section E","2016","72","4","600","603","10.1107/S2056989016005120","","","0.71073","MoKα","","0.0355","0.0276","","","0.0646","0.0676","","","","","","1.058","","","","has coordinates,has Fobs","180662","2020-10-21","18:00:00",""
"2241621","7.1229","0.0005","7.2913","0.0007","22.6098","0.0018","90","","90","","90","","1174.24","0.17","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","fac-Aquatricarbonyl[(S)-valinato-\ κ^2^N,O]rhenium(I)","","- C8 H12 N O6 Re -","- C8 H12 N O6 Re -","- C32 H48 N4 O24 Re4 -","4","1","WM5283","Piletska, Kseniia O.; Domasevitch, Kostiantyn V.; Shtemenko, Alexander V.","Crystal structure of fac-aquatricarbonyl[(S)-valinato-κ^2^N,O]rhenium(I)","Acta Crystallographica Section E","2016","72","4","590","592","10.1107/S2056989016005235","","","0.71073","MoKα","","0.0265","0.0219","","","0.0464","0.0473","","","","","","0.993","","","","has coordinates,has Fobs","180663","2020-10-21","18:00:00",""
"2241622","17.1911","0.0002","14.9027","0.0002","18.4492","0.0002","90","","114.255","0.0015","90","","4309.35","0.1","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(±)-[trans-Cyclohexane-1,2-diylbis(azanediyl)]diphosphonium dibromide dichloromethane disolvate","","- C44 H46 Br2 Cl4 N2 P2 -","- C44 H46 Br2 Cl4 N2 P2 -","- C176 H184 Br8 Cl16 N8 P8 -","4","0.5","","Rodríguez Álvarez, Aurora; Tlahuext, Hugo; Grévy, Jean-Michel","Crystal structure of (±)-[trans-cyclohexane-1,2-diylbis(azanediyl)]diphosphonium dibromide dichloromethane disolvate","Acta Crystallographica Section E","2016","72","4","559","562","10.1107/S2056989016004576","","","1.54184","CuKα","","0.0386","0.0382","","","0.0975","0.0978","","","","","","1.038","","","","has coordinates,has Fobs","180664","2020-10-21","18:00:00",""
"2241623","7.7468","0.0003","15.1573","0.0004","7.2328","0.0007","90","","90","","90","","849.28","0.09","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","catena-Poly[[bis(acetylacetonato-κ^2^O,O')cobalt(II)]-μ-1,4-diazabicyclo[2.2.2]octane-κ^2^N^1^:N^4^]","","- C16 H26 Co N2 O4 -","- C16 H26 Co N2 O4 -","- C32 H52 Co2 N4 O8 -","2","0.25","WM5278","Dumitru, Florina; Englert, Ulli; Braun, Beatrice","Orientational disorder in the one-dimensional coordination polymer catena-poly[[bis(acetylacetonato-κ^2^O,O')cobalt(II)]-μ-1,4-diazabicyclo[2.2.2]octane-κ^2^N^1^:N^4^]","Acta Crystallographica Section E","2016","72","4","548","551","10.1107/S205698901600428X","","","0.71073","MoKα","","0.0237","0.0199","","","0.0541","0.055","","","","","","1.09","","","","has coordinates,has Fobs","180665","2020-10-21","18:00:00",""
"2241624","16.8603","0.0008","7.2655","0.0003","14.4534","0.0006","90","","128.751","0.001","90","","1380.78","0.11","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate","","- C6 H20 Cl2 N2 O10 -","- C6 H20 Cl2 N2 O10 -","- C24 H80 Cl8 N8 O40 -","4","0.5","HB7574","Ben Mleh, Cherifa; Roisnel, Thierry; Marouani, Houda","trans-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","4","593","596","10.1107/S205698901600520X","","","0.71073","MoKα","","0.0302","0.0279","","","0.073","0.0744","","","","","","1.125","","","","has coordinates,has Fobs","180666","2020-10-21","18:00:00",""
"2241625","7.5315","0.0003","15.564","0.0008","17.3901","0.0008","90","","90","","90","","2038.47","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Isoquinolinium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate","","- C21 H17 N5 O7 -","- C21 H17 N5 O7 -","- C84 H68 N20 O28 -","4","1","CV5504","Poornima Devi, Ponnusamy; Kalaivani, Doraisamyraja","Isoquinolinium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate: crystal structure, Hirshfeld surface analysis and pharmacological evaluation","Acta Crystallographica Section E","2016","72","4","570","574","10.1107/S2056989016005004","","","0.71073","MoKα","","0.0838","0.0552","","","0.1332","0.1639","","","","","","1.105","","","","has coordinates,has Fobs","180668","2020-10-21","18:00:00",""
"2241626","31.2431","0.0006","10.7872","0.0002","15.2556","0.0003","90","","90","","90","","5141.53","0.17","250","2","250.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Hexa-μ~2~-acetato-bis(2-{[(2,2,6,6-tetramethylpiperidin-4-yl)imino]methyl}phenolato-κ^3^O,N,N')tetracopper(II)","","- C44 H64 Cu4 N4 O14 -","- C44 H64 Cu4 N4 O14 -","- C176 H256 Cu16 N16 O56 -","4","0.5","LH5808","Huang, Guohui; Liu, Xiaoxuan","Crystal structure of a tetranuclear Cu^II^ complex with an O,N,N'-donor Schiff base ligand: hexa-μ~2~-acetato-bis(2-{[(2,2,6,6-tetramethylpiperidin-4-yl)imino]methyl}phenolato-κ^3^O,N,N')tetracopper(II)","Acta Crystallographica Section E","2016","72","4","597","599","10.1107/S2056989016005041","","","1.54178","CuKα","","0.058","0.038","","","0.0941","0.109","","","","","","1.051","","","","has coordinates,has Fobs","180669","2020-10-21","18:00:00",""
"2241627","5.0618","0.0003","14.6282","0.0008","6.1294","0.0004","90","","106.321","0.002","90","","435.56","0.05","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-Bis[(1H-imidazol-2-yl)methylidene]hydrazine","","- C8 H8 N6 -","- C8 H8 N6 -","- C16 H16 N12 -","2","0.5","BG2582","Lee, Chia-Hwa; Lee, Gene-Hsiang","Crystal structure of 1,2-bis[(1H-imidazol-2-yl)methylidene]hydrazine and its one-dimensional hydrogen-bonding network","Acta Crystallographica Section E","2016","72","4","556","558","10.1107/S2056989016004497","","","0.71073","MoKα","","0.0467","0.0423","","","0.1133","0.1165","","","","","","1.119","","","","has coordinates,has Fobs","180670","2020-10-21","18:00:00",""
"2241628","10.0259","0.0003","12.4289","0.0003","21.6241","0.0006","90","","92.443","0.001","90","","2692.15","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Fluoro-N-(2-methylphenylsulfonyl)benzamide","","- C14 H12 F N O3 S -","- C14 H12 F N O3 S -","- C112 H96 F8 N8 O24 S8 -","8","2","SU5287","Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Srivishnu, K. S.; Supriya, G. M.; Lakshmikantha, H. N.","Crystal structures of three N-(arylsulfonyl)-4-fluorobenzamides","Acta Crystallographica Section E","2016","72","4","575","582","10.1107/S2056989016005089","","","1.54178","CuKα","","0.0423","0.0404","","","0.1172","0.1206","","","","","","1","","","","has coordinates","180671","2020-10-21","18:00:00",""
"2241629","7.9009","0.0002","9.0775","0.0003","18.4216","0.0005","90","","99.801","0.001","90","","1301.92","0.06","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N-(2-Chlorophenylsulfonyl)-4-fluorobenzamide","","- C13 H9 Cl F N O3 S -","- C13 H9 Cl F N O3 S -","- C52 H36 Cl4 F4 N4 O12 S4 -","4","1","SU5287","Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Srivishnu, K. S.; Supriya, G. M.; Lakshmikantha, H. N.","Crystal structures of three N-(arylsulfonyl)-4-fluorobenzamides","Acta Crystallographica Section E","2016","72","4","575","582","10.1107/S2056989016005089","","","1.54178","CuKα","","0.0414","0.0409","","","0.123","0.1237","","","","","","0.971","","","","has coordinates","180671","2020-10-21","18:00:00",""
"2241630","45.5989","0.0011","4.8853","0.0001","12.6517","0.0003","90","","94.481","0.001","90","","2809.73","0.11","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","N-(4-Chlorophenylsulfonyl)-4-fluorobenzamide monohydrate","","- C13 H11 Cl F N O4 S -","- C13 H11 Cl F N O4 S -","- C104 H88 Cl8 F8 N8 O32 S8 -","8","1","SU5287","Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Srivishnu, K. S.; Supriya, G. M.; Lakshmikantha, H. N.","Crystal structures of three N-(arylsulfonyl)-4-fluorobenzamides","Acta Crystallographica Section E","2016","72","4","575","582","10.1107/S2056989016005089","","","1.54178","CuKα","","0.0442","0.0385","","","0.1136","0.1184","","","","","","0.935","","","","has coordinates","180671","2020-10-21","18:00:00",""
"2241631","10.947","0.003","12.999","0.004","12.44","0.004","90","","101.833","0.004","90","","1732.6","0.9","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-Leucyl-L-isoleucine 2,2,2-trifluoroethanol monosolvate","","- C14 H27 F3 N2 O4 -","- C14 H27 F3 N2 O4 -","- C56 H108 F12 N8 O16 -","4","2","HB7570","Görbitz, Carl Henrik","Crystal structure of L-leucyl-L-isoleucine 2,2,2-trifluoroethanol monosolvate","Acta Crystallographica Section E","2016","72","5","635","638","10.1107/S2056989016005302","","","0.71073","MoKα","","0.0516","0.0408","","","0.0886","0.0947","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","181818","2020-10-21","18:00:00",""
"2241632","8.5361","0.0003","8.6272","0.0003","8.8576","0.0003","77.761","0.001","72.307","0.001","60.985","0.001","541.81","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,4-Bis(3-ammoniopropyl)piperazine-1,4-diium bis[dichromate(VI)]","","- C10 H28 Cr4 N4 O14 -","- C10 H28 Cr4 N4 O14 -","- C10 H28 Cr4 N4 O14 -","1","0.5","WM5281","Vetrivel, S.; Vinoth, E.; Mullai, R. U.; Aruljothi, R.; NizamMohideen, M.","Crystal structure of 1,4-bis(3-ammoniopropyl)piperazine-1,4-diium bis[dichromate(VI)]","Acta Crystallographica Section E","2016","72","5","616","619","10.1107/S2056989016005284","","","0.71073","MoKα","","0.0238","0.023","","","0.0675","0.0682","","","","","","1.062","","","","has coordinates,has Fobs","181819","2020-10-21","18:00:00",""
"2241633","8.1817","0.0001","26.4033","0.0005","8.88","0.0002","90","","98.023","0.001","90","","1899.52","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-[(2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-{[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)tetrahydrofuran-2-yl]amino}-1H-purin-6(9H)-one","","- C17 H25 N5 O7 -","- C17 H25 N5 O7 -","- C68 H100 N20 O28 -","4","2","HB7568","Catalano, Michael J.; Ruddraraju, Kasi Viswanatharaju; Barnes, Charles L.; Gates, Kent S.","Crystal structure of a nucleoside model for the interstrand cross-link formed by the reaction of 2'-deoxyguanosine and an abasic site in duplex DNA","Acta Crystallographica Section E","2016","72","5","624","627","10.1107/S205698901600517X","","","1.54178","CuKα","","0.0284","0.027","","","0.0704","0.0715","","","","","","1.038","","","","has coordinates,has Fobs","181820","2020-10-21","18:00:00",""
"2241634","9.6869","0.0002","12.614","0.0002","14.7498","0.0003","77.839","0.001","76.533","0.0009","70.875","0.001","1638.19","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-[(E)-(2-Hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-\ phenylthiourea","","- C16 H17 N3 O2 S -","- C16 H17 N3 O2 S -","- C64 H68 N12 O8 S4 -","4","2","IS5446","Gangadharan, Rajeswari; Muralisankar, Mathiyan; Sreekanth, Anandaram; Rahman, Abdullakutty Anees; Sethusankar, K.","Crystal structure of 3-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-phenylthiourea","Acta Crystallographica Section E","2016","72","5","608","611","10.1107/S2056989016005326","","","0.71073","MoKα","","0.0642","0.0466","","","0.1274","0.139","","","","","","1.05","","","","has coordinates,has Fobs","181821","2020-10-21","18:00:00",""
"2241635","11.6395","0.0005","19.0487","0.0006","20.4977","0.0007","90","","90","","90","","4544.7","0.3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Levomepromazine-maleate","(-)-(S)-3-(2-Methoxyphenothiazin-10-yl)-N,N,2-trimethylpropanaminium hydrogen maleate","","- C23 H28 N2 O5 S -","- C23 H28 N2 O5 S -","- C184 H224 N16 O40 S8 -","8","2","GK2652","Gál, Gyula Tamás; May, Nóra Veronika; Bombicz, Petra","Crystal structure of levomepromazine maleate","Acta Crystallographica Section E","2016","72","5","612","615","10.1107/S2056989016004916","","","0.71073","MoKα","","0.0602","0.0491","","","0.1244","0.1326","","","","","","1.049","","","","has coordinates,has Fobs","181822","2020-10-21","18:00:00",""
"2241636","12.6926","0.0003","7.3093","0.0002","20.6213","0.0005","90","","100.42","0.004","90","","1881.57","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Creatininium 5-(2,4-dinitrophenyl)-1,3-dimethylbarbiturate monohydrate","2-Amino-1-methyl-4-oxo-4,5-dihydro-1H- imidazol-3-ium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate monohydrate","","- C16 H19 N7 O9 -","- C16 H19 N7 O9 -","- C64 H76 N28 O36 -","4","1","SU5291","Poornima Devi, Ponnusamy; Kalaivani, Doraisamyraja","Crystal structure of creatininium 5-(2,4-dinitrophenyl)-1,3-dimethylbarbiturate monohydrate: a potential anticonvulsant agent","Acta Crystallographica Section E","2016","72","5","620","623","10.1107/S2056989016005247","","","0.71073","MoKα","","0.0869","0.0511","","","0.1153","0.1371","","","","","","1.026","","","","has coordinates,has Fobs","181823","2020-10-21","18:00:00",""
"2241637","4.8558","0.0007","5.8496","0.001","8.795","0.0013","76.517","0.013","81.528","0.012","71.392","0.014","229.51","0.07","140","2","140","1","","","","","","","","5","P 1","P 1","1","","Sodium (1S,2S,3S,4R)-1,2,3,4,5-pentahydroxypentane-1-sulfonate","","- C5 H11 Na O8 S -","- C5 H11 Na O8 S -","- C5 H11 Na O8 S -","1","1","SJ5496","Haines, Alan H.; Hughes, David L.","Crystal structure of sodium (1S)-D-lyxit-1-ylsulfonate","Acta Crystallographica Section E","2016","72","5","628","631","10.1107/S2056989016005375","","","0.71073","Mo-Kα","","0.024","0.0226","","","0.059","0.0592","","","","","","1.091","","","","has coordinates,has Fobs","181824","2020-10-21","18:00:00",""
"2241638","14.5383","0.0011","14.5047","0.0011","10.612","0.0008","90","","118.299","0.002","90","","1970.3","0.3","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tetrasodium heptanickel hexaarsenate","","- As6 Na4 Ni7 O24 -","- As6 Na4 Ni7 O24 -","- As24 Na16 Ni28 O96 -","4","0.5","VN2109","David, Rénald","Synthesis and crystal structure of Na~4~Ni~7~(AsO~4~)~6~","Acta Crystallographica Section E","2016","72","5","632","634","10.1107/S2056989016005417","","","0.71073","MoKα","","0.0592","0.0391","","","0.0509","0.0518","","","","","","2.73","","","","has coordinates,has Fobs","181826","2020-10-21","18:00:00",""
"2241639","18.2226","0.0004","13.7954","0.0005","15.5594","0.0005","90","","90","","90","","3911.4","0.2","90","0.2","90","0.2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(Z)-5-[2-(Benzo[b]thiophen-2-yl)-1-(3,5-dimethoxyphenyl)ethenyl]-1H-tetrazole methanol monosolvate","","- C20 H20 N4 O3 S -","- C20 H20 N4 O3 S -","- C160 H160 N32 O24 S8 -","8","2","HG5472","Penthala, Narsimha Reddy; Yadlapalli, Jaishankar K. B.; Parkin, Sean; Crooks, Peter A.","Crystal structures of (Z)-5-[2-(benzo[b]thiophen-2-yl)-1-(3,5-dimethoxyphenyl)ethenyl]-1H-tetrazole and (Z)-5-[2-(benzo[b]thiophen-3-yl)-1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-tetrazole","Acta Crystallographica Section E","2016","72","5","652","655","10.1107/S2056989016005600","","","1.54178","CuKα","","0.0432","0.0419","","","0.1075","0.1085","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","181991","2020-10-21","18:00:00",""
"2241640","4.8888","0.0001","24.665","0.0006","15.5956","0.0004","90","","91.031","0.001","90","","1880.25","0.08","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-[2-(Benzo[b]thiophen-3-yl)-1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-tetrazole","","- C20 H18 N4 O3 S -","- C20 H18 N4 O3 S -","- C80 H72 N16 O12 S4 -","4","1","HG5472","Penthala, Narsimha Reddy; Yadlapalli, Jaishankar K. B.; Parkin, Sean; Crooks, Peter A.","Crystal structures of (Z)-5-[2-(benzo[b]thiophen-2-yl)-1-(3,5-dimethoxyphenyl)ethenyl]-1H-tetrazole and (Z)-5-[2-(benzo[b]thiophen-3-yl)-1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-tetrazole","Acta Crystallographica Section E","2016","72","5","652","655","10.1107/S2056989016005600","","","1.54178","CuKα","","0.0359","0.0338","","","0.0923","0.0941","","","","","","1.126","","","","has coordinates,has Fobs","181991","2020-10-21","18:00:00",""
"2241641","9.2846","0.0009","9.8777","0.001","10.3624","0.0011","94.364","0.002","113.352","0.0019","92.866","0.002","866.63","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-(Anthracen-9-yl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one","","- C23 H14 Cl F O -","- C23 H14 Cl F O -","- C46 H28 Cl2 F2 O2 -","2","1","HB7569","Abdullah, Amzar Ahlami; Hassan, Nur Hafiq Hanif; Arshad, Suhana; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul","(E)-1-(Anthracen-9-yl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","5","648","651","10.1107/S2056989016005028","","","0.71073","MoKα","","0.0609","0.0462","","","0.1425","0.1592","","","","","","1.04","","","","has coordinates,has Fobs","181992","2020-10-21","18:00:00",""
"2241642","8.40515","0.00012","21.4397","0.0003","9.48944","0.00014","90","","106.184","0.0015","90","","1642.27","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(triethanolamine-κ^3^N,O,O')nickel(II) bis(3-hydroxybenzoate) tetrahydrate","","- C26 H48 N2 Ni O16 -","- C26 H48 N2 Ni O16 -","- C52 H96 N4 Ni2 O32 -","2","0.5","WM5282","Ibragimov, Aziz B.","Crystal structure of bis(triethanolamine-κ^3^N,O,O')nickel(II) bis(3-hydroxybenzoate) tetrahydrate","Acta Crystallographica Section E","2016","72","5","643","647","10.1107/S2056989016005521","","","1.54184","CuKα","","0.0417","0.0381","","","0.1108","0.1148","","","","","","1.029","","","","has coordinates,has Fobs","181993","2020-10-21","18:00:00",""
"2241643","7.6051","0.0003","10.0027","0.0004","10.2152","0.0004","78.067","0.003","88.43","0.004","71.746","0.003","721.45","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","trans-Diaquabis(nicotinamide-κN^1^)bis(4-nitrobenzoato-κO)manganese(II)","","- C26 H24 Mn N6 O12 -","- C26 H24 Mn N6 O12 -","- C26 H24 Mn N6 O12 -","1","0.5","IS5449","Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Tonbul, Ali Murat; Dilek, Nefise; Hökelek, Tuncer","Crystal structure of trans-diaquabis(nicotinamide-κN^1^)bis(4-nitrobenzoato-κO)manganese(II)","Acta Crystallographica Section E","2016","72","5","656","658","10.1107/S2056989016005612","","","0.71073","MoKα","","0.0601","0.0582","","","0.1753","0.1775","","","","","","1.167","","","","has coordinates,has Fobs","181994","2020-10-21","18:00:00",""
"2241644","7.3371","0.0004","8.3286","0.0005","13.3819","0.0008","107.577","0.005","97.706","0.005","93.953","0.005","767.32","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Acridine‒3-chlorothiophene-2-carboxylic acid (1/1)","","- C18 H12 Cl N O2 S -","- C18 H12 Cl N O2 S -","- C36 H24 Cl2 N2 O4 S2 -","2","1","HG5473","Prajina, Olakkandiyil; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular interactions in a 1:1 co-crystal of acridine and 3-chlorothiophene-2-carboxylic acid","Acta Crystallographica Section E","2016","72","5","659","662","10.1107/S2056989016005685","","","0.71073","MoKα","","0.053","0.0381","","","0.0943","0.1091","","","","","","1.021","","","","has coordinates,has Fobs","181995","2020-10-21","18:00:00",""
"2241645","10.1614","0.001","12.0782","0.0012","14.0537","0.0014","90","","95.027","0.002","90","","1718.2","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Aminoisophthalic acid‒1,2-bis(pyridin-4-yl)ethene (1/1)","","- C20 H17 N3 O4 -","- C20 H17 N3 O4 -","- C80 H68 N12 O16 -","4","1","HB7561","McGuire, Scott C.; Travis, Steven C.; Tuohey, Daniel W.; Deering, Thomas J.; Martin, Bob; Cox, Jordan M.; Benedict, Jason B.","Crystal structure of the co-crystal of 5-aminoisophthalic acid and 1,2-bis(pyridin-4-yl)ethene","Acta Crystallographica Section E","2016","72","5","639","642","10.1107/S2056989016005259","","","0.71073","MoKα","","0.0747","0.047","","","0.1247","0.1425","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","181996","2020-10-21","18:00:00",""
"2241646","8.4726","0.0003","23.7748","0.0008","8.0833","0.0003","90","","111.699","0.0017","90","","1512.88","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-Bromo-2,5-dihydroxy-2',5'-dimethoxy-[1,1'-biphenyl]-3,4-dicarbonitrile","","- C16 H11 Br N2 O4 -","- C16 H11 Br N2 O4 -","- C64 H44 Br4 N8 O16 -","4","1","ZS2361","Meany, Joseph E.; Kelley, Steven P.; Rogers, Robin D.; Woski, Stephen A.","Crystal structure of 4'-bromo-2,5-dihydroxy-2',5'-dimethoxy-[1,1'-biphenyl]-3,4-dicarbonitrile","Acta Crystallographica Section E","2016","72","5","667","670","10.1107/S2056989016005715","","","0.71073","MoKα","","0.0568","0.0354","","","0.0818","0.089","","","","","","1.032","","","","has coordinates,has Fobs","182040","2020-10-21","18:00:00",""
"2241647","10.594","0.002","13.075","0.003","22.384","0.005","90","","100.87","0.03","90","","3044.9","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Tris(trans-1,2-cyclohexanediamine-κ^2^N,N')chromium(III) tetrachloridozincate chloride trihydrate","","- C18 H48 Cl5 Cr N6 O3 Zn -","- C18 H48 Cl5 Cr N6 O3 Zn -","- C72 H192 Cl20 Cr4 N24 O12 Zn4 -","4","1","WM5284","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of tris(trans-1,2-cyclohexanediamine-κ^2^N,N')chromium(III) tetrachloridozincate chloride trihydrate from synchrotron data","Acta Crystallographica Section E","2016","72","5","671","674","10.1107/S2056989016005788","","","0.62998","synchrotron","","0.0293","0.0273","","","0.0717","0.0726","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","182041","2020-10-21","18:00:00",""
"2241648","10.0819","0.0004","10.4531","0.0004","23.6016","0.0009","90","","100.607","0.001","90","","2444.8","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","26-(4-Methylphenyl)-8,11,14,17-tetraoxa-28-azatetracyclo[22.3.1.0^2,7^.0^18,23^]hexacosa-2,4,6,18(23),19,21,24(1),25,27-nonaene","","- C30 H29 N O4 -","- C30 H29 N O4 -","- C120 H116 N4 O16 -","4","1","","Tran, T. Thanh Van; Anh, Le Tuan; Nguyen, Hung Huy; Truong, Hong Hieu; Soldatenkov, Anatoly T.","Crystal structure of 26-(4-methylphenyl)-8,11,14,17-tetraoxa-28-azatetracyclo[22.3.1.0^2,7^.0^18,23^]hexacosa-2,4,6,18(23),19,21,24(1),25,27-nonaene","Acta Crystallographica Section E","2016","72","5","663","666","10.1107/S2056989016005752","","","0.71073","MoKα","","0.0539","0.0396","","","0.0919","0.0992","","","","","","1.012","","","","has coordinates,has Fobs","182042","2020-10-21","18:00:00",""
"2241649","7.5071","0.0002","23.6113","0.0008","24.518","0.0008","90","","90","","90","","4345.9","0.2","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1S*,2R*)-7-Benzyloxy-2-methyl-3-tosyl-2,3,4,5-tetrahydro-1H-3-benzazepin-1-ol","","- C25 H27 N O4 S -","- C25 H27 N O4 S -","- C200 H216 N8 O32 S8 -","8","1","SU5286","Tewes, Bastian; Frehland, Bastian; Fröhlich, Roland; Wünsch, Bernhard","Crystal structure of (1S*,2R*)-7-benzyloxy-2-methyl-3-tosyl-2,3,4,5-tetrahydro-1H-3-benzazepin-1-ol: elucidation of the relative configuration of potent allosteric GluN2B selective NMDA receptor antagonists","Acta Crystallographica Section E","2016","72","5","683","686","10.1107/S2056989016005855","","","1.54178","CuKα","","0.0625","0.0576","","","0.1467","0.1506","","","","","","1.101","","","","has coordinates,has Fobs","182291","2020-10-21","18:00:00",""
"2241650","9.698","0.002","8.8127","0.0019","10.133","0.002","90","","92.248","0.003","90","","865.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(5R)-5-ethylamino-3-(3-methoxypropyl)-2,2-dioxo-2,9-dithia-3-azabicyclo[4.3.0]nona-1(6)7-diene-8-sulfonamide","","- C12 H21 N3 O5 S3 -","- C12 H21 N3 O5 S3 -","- C24 H42 N6 O10 S6 -","2","1","SU5292","Zheng, Huirong; Lou, Benyong","Crystal structure of Brinzolamide: a carbonic anhydrase inhibitor","Acta Crystallographica Section E","2016","72","5","692","695","10.1107/S2056989016006022","","","0.71073","MoKα","","0.0222","0.0217","","","0.0583","0.0588","","","","","","1.035","","","","has coordinates,has Fobs","182292","2020-10-21","18:00:00",""
"2241651","10.3594","0.0002","18.8246","0.0004","10.9981","0.0003","90","","117.889","0.001","90","","1895.65","0.08","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1S*,2R*)-7-Methoxy-2-methyl-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-ol","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","1","SU5285","Tewes, Bastian; Frehland, Bastian; Fröhlich, Roland; Wünsch, Bernhard","Novel GluN2B selective NMDA receptor antagonists: relative configuration of 7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-1-ols","Acta Crystallographica Section E","2016","72","5","687","691","10.1107/S2056989016005843","","","1.54178","CuKα","","0.0476","0.0449","","","0.1151","0.1176","","","","","","1.036","","","","has coordinates","182293","2020-10-21","18:00:00",""
"2241652","9.2049","0.0005","25.4468","0.0017","8.2451","0.0006","90","","90","","90","","1931.3","0.2","223","2","223","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(1R*,2R*)-7-Methoxy-2-methyl-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-ol","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","1","SU5285","Tewes, Bastian; Frehland, Bastian; Fröhlich, Roland; Wünsch, Bernhard","Novel GluN2B selective NMDA receptor antagonists: relative configuration of 7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-1-ols","Acta Crystallographica Section E","2016","72","5","687","691","10.1107/S2056989016005843","","","1.54178","CuKα","","0.1254","0.0873","","","0.196","0.2314","","","","","","1.254","","","","has coordinates","182293","2020-10-21","18:00:00",""
"2241653","12.4525","0.0009","5.736","0.0004","12.5896","0.0009","90","","116.081","0.006","90","","807.68","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Isopropyl-3-(2-nitro-1-phenylethyl)-1H-indole","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","PK2578","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Different N—H···π interactions in two indole derivatives","Acta Crystallographica Section E","2016","72","5","699","703","10.1107/S2056989016006162","","","0.71073","MoKα","","0.15","0.0813","","","0.1359","0.1636","","","","","","1.121","","","","has coordinates,has Fobs","182294","2020-10-21","18:00:00",""
"2241654","9.2014","0.0005","9.4543","0.0007","21.6201","0.0014","98.563","0.004","93.416","0.004","98.354","0.004","1833.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxyphenyl)-3-(2-nitro-1-phenylethyl)-1H-indole","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C92 H80 N8 O12 -","4","2","PK2578","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Different N—H···π interactions in two indole derivatives","Acta Crystallographica Section E","2016","72","5","699","703","10.1107/S2056989016006162","","","0.71073","MoKα","","0.062","0.0457","","","0.1146","0.1235","","","","","","1.028","","","","has coordinates,has Fobs","182294","2020-10-21","18:00:00",""
"2241655","11.0909","0.0001","12.9169","0.0001","13.7931","0.0001","78.333","0.003","81.162","0.004","74.179","0.003","1851.66","0.04","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Aqua(5,10,15,20-tetraphenylporphyrinato-κ^4^N)manganese(III) trifluoromethanesulfonate","","- C45 H30 F3 Mn N4 O4 S -","- C45 H30 F3 Mn N4 O4 S -","- C90 H60 F6 Mn2 N8 O8 S2 -","2","1","WM5285","Harhouri, Wafa; Mchiri, Chadlia; Najmudin, Shabir; Bonifácio, Cecilia; Nasri, Habib","Synthesis, FT‒IR characterization and crystal structure of aqua(5,10,15,20-tetraphenylporphyrinato-κ^4^N)manganese(III) trifluoromethanesulfonate","Acta Crystallographica Section E","2016","72","5","720","723","10.1107/S2056989016006630","","","0.71073","MoKα","","0.0513","0.0358","","","0.0796","0.0855","","","","","","1.049","","","","has coordinates,has Fobs","182295","2020-10-21","18:00:00",""
"2241656","9.0832","0.0013","11.1072","0.0013","13.9564","0.0017","90","","102.027","0.003","90","","1377.1","0.3","294","2","294","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(E)-3- (2-Chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one","","- C16 H11 Cl F2 O2 -","- C16 H11 Cl F2 O2 -","- C64 H44 Cl4 F8 O8 -","4","1","HB7578","Hassan, Nur Hafiq Hanif; Abdullah, Amzar Ahlami; Arshad, Suhana; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul","Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2016","72","5","716","719","10.1107/S2056989016006526","","","0.71073","MoKα","","0.0538","0.0386","","","0.1051","0.1159","","","","","","1.046","","","","has coordinates,has Fobs","182296","2020-10-21","18:00:00",""
"2241657","6.74","0.005","7.514","0.007","9.81","0.002","84.46","0.03","78.15","0.04","88.57","0.06","484","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[guanidinium [[aquachloridomanganese(II)]-μ~2~-oxalato-κ^4^O^1^,O^2^:O^1'^,O^2'^] monohydrate]","","- C3 H10 Cl Mn N3 O6 -","- C3 H10 Cl Mn N3 O6 -","- C6 H20 Cl2 Mn2 N6 O12 -","2","1","ZL2659","Sehimi, Hiba; Chérif, Ichraf; Zid, Mohamed Faouzi","Crystal structure and spectroscopic analysis of a new oxalate-bridged Mn^II^ compound: catena-poly[guanidinium [[aquachloridomanganese(II)]-μ~2~-oxalato-κ^4^O^1^,O^2^:O^1'^,O^2'^] monohydrate]","Acta Crystallographica Section E","2016","72","5","724","729","10.1107/S2056989016006605","","","0.71073","MoKα","","0.025","0.0237","","","0.0639","0.0647","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","182297","2020-10-21","18:00:00",""
"2241658","9.831","0.0009","5.274","0.0006","13.617","0.002","90","","90.334","0.008","90","","706.01","0.15","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Silver sodium iron(III) bis[molybdate(VI)]","","- Ag0.6 Fe Mo2 Na0.4 O8 -","- Ag0.597 Fe Mo2 Na0.403 O8 -","- Ag2.388 Fe4 Mo8 Na1.612 O32 -","4","0.5","VN2110","Souilem, Amira; Zid, Mohamed Faouzi","Synthèse, étude et validation structurale d'un triple bis-molybdate en couches, Ag~0.60~Na~0.40~Fe(MoO~4~)~2~ lié à yavapaiite","Acta Crystallographica Section E","2016","72","5","737","740","10.1107/S2056989016006654","","","0.71073","MoKα","","0.0268","0.0254","","","0.0709","0.0717","","","","","","1.146","","","","has coordinates,has Fobs","182298","2020-10-21","18:00:00",""
"2241659","8.4259","0.0004","11.4264","0.0007","45.706","0.002","90","","90","","90","","4400.5","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","canagliflozin","(2S,3R,4R,5S,6R)-2-(3-{[5-(4-Fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-6-(hydroxymethyl)-3,4,5,6-tetrahydro-2H-pyran-3,4,5-triol hemihydrate","","- C24 H26 F O5.5 S -","- C24 H26 F O5.5 S -","- C192 H208 F8 O44 S8 -","8","2","XU5886","Liu, Kai-Hang; Gu, Jian-Ming; Hu, Xiu-Rong; Tang, Gu-Ping","Crystal structure of canagliflozin hemihydrate","Acta Crystallographica Section E","2016","72","5","734","736","10.1107/S2056989016006769","","","0.71073","MoKα","","0.1699","0.08","","","0.1166","0.1465","","","","","","0.999","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2241660","7.3722","0.001","8.7235","0.0007","11.7032","0.0015","69.263","0.01","87.519","0.011","69.113","0.01","654.66","0.15","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","4-Methyl-2-oxo-2H-chromene-7,8-diyl diacetate","","- C14 H12 O6 -","- C14 H12 O6 -","- C28 H24 O12 -","2","1","HG5471","Akinyemi, Akintunde; Thomas, Courtney; Marsh, Willis; Butcher, Ray J.; Jasinski, Jerry P.; Maynard-Smith, Lystranne A.","Crystal structures of 4-methyl-2-oxo-2H-chromene-7,8-diyl diacetate and 4-methyl-2-oxo-2H-chromene-7,8-diyl bis(pent-4-ynoate)","Acta Crystallographica Section E","2016","72","5","704","708","10.1107/S2056989016005892","","","0.71073","MoKα","","0.0779","0.0545","","","0.1352","0.1555","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","182300","2020-10-21","18:00:00",""
"2241661","5.2785","0.0003","16.3785","0.0008","20.0502","0.0011","90","","95.992","0.002","90","","1723.95","0.16","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Methyl-2-oxo-2H-chromene-7,8-diyl bis(pent-4-ynoate)","","- C20 H16 O6 -","- C20 H16 O6 -","- C80 H64 O24 -","4","1","","Akinyemi, Akintunde; Thomas, Courtney; Marsh, Willis; Butcher, Ray J.; Jasinski, Jerry P.; Maynard-Smith, Lystranne A.","Crystal structures of 4-methyl-2-oxo-2H-chromene-7,8-diyl diacetate and 4-methyl-2-oxo-2H-chromene-7,8-diyl bis(pent-4-ynoate)","Acta Crystallographica Section E","2016","72","5","704","708","10.1107/S2056989016005892","","","0.71073","MoKα","","0.0847","0.0571","","","0.1275","0.1417","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","182300","2020-10-21","18:00:00",""
"2241662","22.3351","0.0018","5.0467","0.0004","14.2265","0.001","90","","99.956","0.007","90","","1579.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(6-Hydroxyhexyl)-3,4,5-trimethoxybenzamide","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","1","HB7575","Gomes, Ligia R.; Low, John Nicolson; Oliveira, Catarina; Cagide, Fernando; Borges, Fernanda","Crystal structures of three 3,4,5-trimethoxybenzamide-based derivatives","Acta Crystallographica Section E","2016","72","5","675","682","10.1107/S2056989016005958","","","0.71073","MoKα","","0.1405","0.0622","","","0.1065","0.1328","","","","","","0.966","","","","has coordinates,has Fobs","182301","2020-10-21","18:00:00",""
"2241663","11.5626","0.0008","19.5328","0.0009","9.5488","0.0007","90","","109.369","0.008","90","","2034.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(6-Anilinohexyl)-3,4,5-trimethoxybenzamide","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C88 H120 N8 O16 -","4","1","HB7575","Gomes, Ligia R.; Low, John Nicolson; Oliveira, Catarina; Cagide, Fernando; Borges, Fernanda","Crystal structures of three 3,4,5-trimethoxybenzamide-based derivatives","Acta Crystallographica Section E","2016","72","5","675","682","10.1107/S2056989016005958","","","0.71075","MoKα","","0.0535","0.0413","","","0.099","0.1048","","","","","","1.041","","","","has coordinates,has Fobs","182301","2020-10-21","18:00:00",""
"2241664","24.6345","0.0018","8.4646","0.0005","10.0598","0.0007","90","","100.851","0.002","90","","2060.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(6,6-Diethoxyhexyl)-3,4,5-trimethoxybenzamide","","- C20 H33 N O6 -","- C20 H33 N O6 -","- C80 H132 N4 O24 -","4","1","HB7575","Gomes, Ligia R.; Low, John Nicolson; Oliveira, Catarina; Cagide, Fernando; Borges, Fernanda","Crystal structures of three 3,4,5-trimethoxybenzamide-based derivatives","Acta Crystallographica Section E","2016","72","5","675","682","10.1107/S2056989016005958","","","1.5418","CuKα","","0.0384","0.0349","","","0.0921","0.095","","","","","","1.046","","","","has coordinates,has Fobs","182301","2020-10-21","18:00:00",""
"2241665","27.1825","0.0005","8.53737","0.00013","26.0667","0.0005","90","","100.844","0.0017","90","","5941.2","0.19","298","","298","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","Bis(ethylenedithio)tetrathiafulvalenium μ~2~-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate","","- C13 H12.5 Br6 Cl1.5 O2 Re2 S8 -","- C13 H12.5 Br6 Cl1.5 O2 Re2 S8 -","- C104 H100 Br48 Cl12 O16 Re16 S64 -","8","1","RZ5188","Golichenko, Alexander A.; Kravchenko, Andrey V.; Omelchenko, Irina V.; Chudak, Denis M.; Starodub, Vladimir A.; Barszcz, Boleslaw; Shtemenko, Alexander V.","Crystal structure of bis(ethylenedithio)tetrathiafulvalenium μ~2~-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate","Acta Crystallographica Section E","2016","72","5","712","715","10.1107/S2056989016006058","","","0.71073","MoKα","","0.0555","0.0521","","","0.1357","0.1373","","","","","","1.136","","","","has coordinates,has disorder,has Fobs","182302","2020-10-21","18:00:00",""
"2241666","9.6745","0.0003","13.9432","0.0006","23.3654","0.001","90","","90","","90","","3151.8","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,3R,8R,10S)-2,2-Dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","","- C16 H24 Cl2 O2 -","- C16 H24 Cl2 O2 -","- C128 H192 Cl16 O16 -","8","2","","Benzalim, Ahmed; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Abdelwahed, Auhmani","Crystal structure of (1S,3R,8R,10S)-2,2-dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","Acta Crystallographica Section E","2016","72","5","709","711","10.1107/S2056989016006174","","","0.71073","MoKα","","0.0617","0.0524","","","0.1262","0.1342","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","182303","2020-10-21","18:00:00",""
"2241667","8.9497","0.0006","11.0906","0.0006","14.2608","0.0009","90","","90","","90","","1415.49","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hydromorphone form I","(4R,4aR,7aR,12bS)-9-Hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one]","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","GK2659","Mazurek, Jaroslaw; Hoffmann, Marcel; Fernandez Casares, Ana; Cox, D. Phillip; Minardi, Mathew D.; Sasine, Josh","Two orthorhombic polymorphs of hydromorphone","Acta Crystallographica Section E","2016","72","5","730","733","10.1107/S2056989016006563","","","0.71073","MoKα","","0.0486","0.0416","","","0.0914","0.0959","","","","","","1.051","","","","has coordinates,has Fobs","182304","2020-10-21","18:00:00",""
"2241668","8.8802","0.0006","10.6208","0.0008","14.4733","0.0009","90","","90","","90","","1365.05","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hydromorphone Form II","(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","GK2659","Mazurek, Jaroslaw; Hoffmann, Marcel; Fernandez Casares, Ana; Cox, D. Phillip; Minardi, Mathew D.; Sasine, Josh","Two orthorhombic polymorphs of hydromorphone","Acta Crystallographica Section E","2016","72","5","730","733","10.1107/S2056989016006563","","","0.71073","MoKα","","0.0354","0.0333","","","0.0926","0.0947","","","","","","1.073","","","","has coordinates,has Fobs","182304","2020-10-21","18:00:00",""
"2241669","15.2183","0.0006","20.081","0.0008","15.3652","0.0006","90","","90.544","0.001","90","","4695.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Benzamido-1-(4-nitrobenzyl)quinolinium trifluoromethanesulfonate","","- C24 H18 F3 N3 O6 S -","- C24 H18 F3 N3 O6 S -","- C192 H144 F24 N24 O48 S8 -","8","2","HG5469","Nicolas-Gomez, Mariana; Bazany-Rodríguez, Iván J.; Plata-Vargas, Eduardo; Hernández-Ortega, Simón; Dorazco-González, Alejandro","Crystal structure of 3-benzamido-1-(4-nitrobenzyl)quinolinium trifluoromethanesulfonate","Acta Crystallographica Section E","2016","72","5","747","750","10.1107/S2056989016006423","","","0.71073","MoKα","","0.1298","0.0458","","","0.0842","0.1103","","","","","","0.854","","","","has coordinates,has disorder,has Fobs","182414","2020-10-21","18:00:00",""
"2241670","7.6553","0.0003","12.3238","0.0005","31.96","0.002","90","","90","","90","","3015.2","0.3","200","1","200","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","brucinium p-arsanilate tetrahydrate","2,3-Dimethoxy-10-oxostrychnidinium 4-aminophenylarsonate tetrahydrate","","- C29 H42 As N3 O11 -","- C29 H42 As N3 O11 -","- C116 H168 As4 N12 O44 -","4","1","LH5811","Smith, Graham; Wermuth, Urs D.","Crystal structure and hydrogen bonding in the water-stabilized proton-transfer salt brucinium 4-aminophenylarsonate tetrahydrate","Acta Crystallographica Section E","2016","72","5","751","755","10.1107/S2056989016006691","","","0.71073","MoKα","","0.0558","0.048","","","0.0904","0.0957","","","","","","1.048","","","","has coordinates,has Fobs","182415","2020-10-21","18:00:00",""
"2241671","8.2102","0.0003","9.9513","0.0003","8.748","0.0003","90","","108.142","0.002","90","","679.2","0.04","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","(+)-N-[(1R,5S,6S,9S)-5-Hydroxymethyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabicyclo[4.3.0]nonan-9-yl]acetamide","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C24 H38 N2 O12 -","2","1","IS5451","Oishi, Takeshi; Tsuzaki, Shun; Sugai, Tomoya; Sato, Takaaki; Chida, Noritaka","Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxymethyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabicyclo[4.3.0]nonan-9-yl]acetamide","Acta Crystallographica Section E","2016","72","5","756","759","10.1107/S2056989016006800","","","1.54178","CuKα","","0.037","0.0323","","","0.0651","0.0678","","","","","","1.002","","","","has coordinates,has Fobs","182416","2020-10-21","18:00:00",""
"2241672","9.47","0.004","12.351","0.005","13.575","0.005","90","","94.327","0.005","90","","1583.3","1.1","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Poly[bis(ammonium) [bis(μ~4~-benzene-1,3,5-tricarboxylato)dizincate] 1-methylpyrrolidin-2-one disolvate]","","- C28 H32 N4 O14 Zn2 -","- C28 H32 N4 O14 Zn2 -","- C56 H64 N8 O28 Zn4 -","2","1","ZL2661","Ordonez, Carlos; Fonari, Marina S.; Wei, Qiang; Timofeeva, Tatiana V.","Crystal structure of poly[bis(ammonium) [bis(μ~4~-benzene-1,3,5-tricarboxylato)dizincate] 1-methylpyrrolidin-2-one disolvate]","Acta Crystallographica Section E","2016","72","5","764","767","10.1107/S2056989016007027","","","0.71073","MoKα","","0.0408","0.033","","","0.0639","0.0676","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","182417","2020-10-21","18:00:00",""
"2241673","10.22","0.003","15.468","0.005","19.151","0.006","90","","92.15","0.005","90","","3025.3","1.6","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(acetophenone 4-benzoylthiosemicarbazonato-κ^2^N^1^,S)nickel(II)","","- C32 H28 N6 Ni O2 S2 -","- C32 H28 N6 Ni O2 S2 -","- C128 H112 N24 Ni4 O8 S8 -","4","1","PJ2029","Karim, Faraidoon Karim; Shamsuddin, Mustaffa; Rosli, Mohd Mustaqim","Crystal structure of bis(acetophenone 4-benzoylthiosemicarbazonato-κ^2^N^1^,S)nickel(II)","Acta Crystallographica Section E","2016","72","5","760","763","10.1107/S2056989016006873","","","0.71073","MoKα","","0.0665","0.0478","","","0.0928","0.0997","","","","","","1.048","","","","has coordinates,has Fobs","182418","2020-10-21","18:00:00",""
"2241674","6.869","0.0009","11.9405","0.0016","14.2731","0.0017","104.107","0.004","99.695","0.004","92.235","0.004","1115.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Tetramethylammonium (2,2'-bipyridine-κ^2^N,N')tetracyanidoferrate(III) trihydrate","","- C18 H26 Fe N7 O3 -","- C18 H26 Fe N7 O3 -","- C36 H52 Fe2 N14 O6 -","2","1","BG2584","Chanthee, Songwuit; Punyain, Wikorn; Namuangrak, Supawadee; Chainok, Kittipong","Crystal structures of tetramethylammonium (2,2'-bipyridine)tetracyanidoferrate(III) trihydrate and poly[[(2,2'-bipyridine-κ^2^N,N')di-μ~2~-cyanido-dicyanido(μ-ethylenediamine)(ethylenediamine-κ^2^N,N')cadmium(II)iron(II)] monohydrate]","Acta Crystallographica Section E","2016","72","5","741","746","10.1107/S2056989016006848","","","0.71073","MoKα","","0.0794","0.0526","","","0.1277","0.1417","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","182419","2020-10-21","18:00:00",""
"2241675","7.4184","0.0014","28.534","0.005","11.094","0.002","90","","109.143","0.006","90","","2218.5","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[(2,2'-bipyridine-κ^2^N,N')di-μ~2~-cyanido-dicyanido(μ-ethylenediamine)(ethylenediamine-κ^2^N,N')cadmium(II)iron(II)] monohydrate]","","- C18 H26 Cd Fe N10 O -","- C18 H26 Cd Fe N10 O -","- C72 H104 Cd4 Fe4 N40 O4 -","4","0.5","BG2584","Chanthee, Songwuit; Punyain, Wikorn; Namuangrak, Supawadee; Chainok, Kittipong","Crystal structures of tetramethylammonium (2,2'-bipyridine)tetracyanidoferrate(III) trihydrate and poly[[(2,2'-bipyridine-κ^2^N,N')di-μ~2~-cyanido-dicyanido(μ-ethylenediamine)(ethylenediamine-κ^2^N,N')cadmium(II)iron(II)] monohydrate]","Acta Crystallographica Section E","2016","72","5","741","746","10.1107/S2056989016006848","","","0.71073","MoKα","","0.0249","0.0195","","","0.0441","0.0463","","","","","","1.065","","","","has coordinates,has Fobs","182419","2020-10-21","18:00:00",""
"2241676","10.5631","0.0007","7.0296","0.0004","20.371","0.0013","90","","90.6447","0.0011","90","","1512.54","0.16","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-Poly[[(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-κ^3^O,N,O')nickel(II)]-μ-pyrazine-κ^2^N:N']","","- C13 H13 N3 Ni O5 S -","- C13 H13 N3 Ni O5 S -","- C52 H52 N12 Ni4 O20 S4 -","4","1","WM5288","Liu, Chen; Thuijs, Annaliese E.; Felts, Ashley C.; Ballouk, Hamza F.; Abboud, Khalil A.","Crystal structure of catena-poly[[(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-κ^3^O,N,O')nickel(II)]-μ-pyrazine-κ^2^N:N']","Acta Crystallographica Section E","2016","72","5","768","771","10.1107/S2056989016007064","","","0.71073","MoKα","","0.0215","0.0201","","","0.0527","0.0551","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","182420","2020-10-21","18:00:00",""
"2241677","8.8839","0.0018","10.591","0.002","12.7","0.003","96.75","0.04","108.93","0.03","99.15","0.03","1097.5","0.5","100","2","100","","","","","","","","","7","P -1","-P 1","2","","Tetrakis[μ~2~-bis(trimethylsilyl)amido]-μ~4~-oxido-dicobalt(II)disodium","","- C24 H72 Co2 N4 Na2 O Si8 -","- C24 H72 Co2 N4 Na2 O Si8 -","- C24 H72 Co2 N4 Na2 O Si8 -","1","0.5","WM5287","Hansen, Christopher B.; Filatov, Alexander S.; Hillhouse, Gregory L.","Crystal structure of the inverse crown ether tetrakis[μ~2~-bis(trimethylsilyl)amido]-μ~4~-oxido-dicobalt(II)disodium, [Co~2~Na~2~{μ~2~-N(SiMe~3~)~2~}~4~](μ~4~-O)","Acta Crystallographica Section E","2016","72","6","780","784","10.1107/S2056989016006861","","","0.71073","MoKα","","0.091","0.0646","","","0.1402","0.1535","","","","","","1.025","","","","has coordinates,has Fobs","182565","2020-10-21","18:00:00",""
"2241678","12.841","0.001","6.0989","0.0005","15.9642","0.0009","90","","125.791","0.004","90","","1014.15","0.14","150","","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","m-Xylylenediaminium sulfate","[1,3-Phenylenebis(methylene)]bis(azanium) sulfate","","- C8 H14 N2 O4 S -","- C8 H14 N2 O4 S -","- C32 H56 N8 O16 S4 -","4","1","HB7579","Guesmi, Afef; Gatfaoui, Sofian; Roisnel, Thierry; Marouani, Houda","m-Xylylenediaminium sulfate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","6","776","779","10.1107/S2056989016006940","","","0.71073","MoKα","","0.0402","0.0379","","","0.1113","0.1135","","","","","","1.143","","","","has coordinates,has Fobs","182569","2020-10-21","18:00:00",""
"2241679","8.0592","0.0017","8.611","0.002","10.17","0.002","104.148","0.007","96.778","0.006","98.132","0.006","668.9","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Bis[μ-2-(diisopropylphosphoryl)propan-2-olato-κ^3^O^1^,O^2^:O^1^]bis[chloridooxidovanadium(IV)]","","- C18 H40 Cl2 O6 P2 V2 -","- C18 H40 Cl2 O6 P2 V2 -","- C18 H40 Cl2 O6 P2 V2 -","1","0.5","","Glatz, Mathias; Stöger, Berthold; Weil, Matthias; Kirchner, Karl","Crystal structure of bis[μ-2-(diisopropylphosphoryl)propan-2-olato-κ^3^O^1^,O^2^:O^1^]bis[chloridooxidovanadium(IV)]","Acta Crystallographica Section E","2016","72","6","785","788","10.1107/S2056989016007362","","","0.71073","MoKα","","0.0727","0.0401","","","0.0424","0.0444","","","","","","1.53","","","","has coordinates,has Fobs","182821","2020-10-21","18:00:00",""
"2241680","12.3401","0.0011","6.5421","0.0006","16.135","0.0014","90","","92.1159","0.001","90","","1301.7","0.2","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Phenyl 2,4,5-trichlorobenzenesulfonate","","- C12 H7 Cl3 O3 S -","- C12 H7 Cl3 O3 S -","- C48 H28 Cl12 O12 S4 -","4","1","SU5297","Riley, Sean; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of phenyl 2,4,5-trichlorobenzenesulfonate","Acta Crystallographica Section E","2016","72","6","789","792","10.1107/S2056989016007325","","","0.71073","MoKα","","0.0381","0.0312","","","0.0767","0.0834","","","","","","1.055","","","","has coordinates,has Fobs","182822","2020-10-21","18:00:00",""
"2241681","10.309","0.002","10.391","0.002","10.566","0.002","69.598","0.002","75.79","0.002","61.445","0.002","927.5","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","(E)-3-(Furan-2-yl)-N-(4-methylphenylsulfonyl)-2-phenylacrylamide","","- C20 H17 N O4 S -","- C20 H17 N O4 S -","- C40 H34 N2 O8 S2 -","2","1","SU5296","Cheng, Dong; Meng, Xiangzhen; Sheng, Zeyuan; Wang, Shuangming; Duan, Yuanyuan; Li, Ziqian","Crystal structures of (E)-3-(furan-2-yl)-2-phenyl-N-tosylacrylamide and (E)-3-phenyl-2-(m-tolyl)-N-tosylacrylamide","Acta Crystallographica Section E","2016","72","6","797","800","10.1107/S2056989016007611","","","0.71073","MoKα","","0.0374","0.0351","","","0.0996","0.1022","","","","","","1.042","","","","has coordinates","182857","2020-10-21","18:00:00",""
"2241682","9.2595","0.001","10.1158","0.0011","11.9271","0.0012","72.396","0.001","67.518","0.001","79.346","0.001","980.89","0.18","293","","293","","","","","","","","","5","P -1","-P 1","2","","(E)-2-(3-Methylphenyl)-N-(4-methylphenylsulfonyl)-3-phenylacrylamide","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C46 H42 N2 O6 S2 -","2","1","SU5296","Cheng, Dong; Meng, Xiangzhen; Sheng, Zeyuan; Wang, Shuangming; Duan, Yuanyuan; Li, Ziqian","Crystal structures of (E)-3-(furan-2-yl)-2-phenyl-N-tosylacrylamide and (E)-3-phenyl-2-(m-tolyl)-N-tosylacrylamide","Acta Crystallographica Section E","2016","72","6","797","800","10.1107/S2056989016007611","","","0.71073","MoKα","","0.0436","0.04","","","0.0991","0.1029","","","","","","1.002","","","","has coordinates","182857","2020-10-21","18:00:00",""
"2241683","11.5415","0.0007","15.2747","0.0009","19.9663","0.0012","88.425","0.002","75.894","0.002","69.65","0.002","3194.4","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","[Tris(pyridin-2-ylmethyl)amine-κ^4^N]copper(II) bromide","","- C18 H18 Br2 Cu N4 -","- C18 H18 Br2 Cu N4 -","- C108 H108 Br12 Cu6 N24 -","6","3","LH5812","Bridgman, Emma C.; Doherty, Megan M.; Ellis, Kaleigh A.; Homer, Elizabeth A.; Lashbrook, Taylor N.; Mraz, Margaret E.; Pernesky, Gina C.; Vreeke, Emma M.; Oshin, Kayode D.; Oliver, Allen G.","Crystal structure of [tris(pyridin-2-ylmethyl)amine-κ^4^N]copper(II) bromide","Acta Crystallographica Section E","2016","72","6","801","804","10.1107/S2056989016007568","","","0.71073","MoKα","","0.1008","0.0856","","","0.2428","0.2538","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","182858","2020-10-21","18:00:00",""
"2241684","6.1776","0.0004","9.2296","0.0004","25.748","0.0015","90","","97.117","0.006","90","","1456.76","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N^6^-Benzoyladenine‒adipic acid (1/0.5)","","- C15 H14 N5 O3 -","- C15 H14 N5 O3 -","- C60 H56 N20 O12 -","4","1","HG5474","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architecture in a co-crystal of the N(7)—H tautomeric form of N^6^-benzoyladenine with adipic acid (1/0.5)","Acta Crystallographica Section E","2016","72","6","805","808","10.1107/S2056989016007581","","","0.71073","MoKα","","0.0537","0.045","","","0.1137","0.1218","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","182946","2020-10-21","18:00:00",""
"2241685","9.2164","0.0005","20.376","0.0009","21.8731","0.0009","90","","90","","90","","4107.6","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-(3,4,5-Trimethoxyphenyl)-2,3,4,12-tetrahydro-1H-5-oxatetraphen-1-one","","- C26 H24 O5 -","- C26 H24 O5 -","- C208 H192 O40 -","8","1","HB7584","Jotani, Mukesh M.; Iniyavan, P.; Vijayakumar, V.; Sarveswari, S.; Tan, Yee Seng; Tiekink, Edward R. T.","12-(3,4,5-Trimethoxyphenyl)-2,3,4,12-tetrahydro-1H-5-oxatetraphen-1-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","6","809","814","10.1107/S2056989016007775","","","0.71073","MoKα","","0.0485","0.0396","","","0.0932","0.0995","","","","","","1.036","","","","has coordinates,has Fobs","182947","2020-10-21","18:00:00",""
"2241686","8.0258","0.0002","39.7598","0.0012","7.8932","0.0002","90","","103.937","0.001","90","","2444.6","0.11","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Fluoro-N-[2-(trifluoromethyl)phenyl]benzamide","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","2","SU5298","Suchetan, P. A.; Suresha, E.; Naveen, S.; Lokanath, N. K.","Crystal structures of 3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide, 3-bromo-N-[2-(trifluoromethyl)phenyl]benzamide and 3-iodo-N-[2-(trifluoromethyl)phenyl]benzamide","Acta Crystallographica Section E","2016","72","6","819","823","10.1107/S2056989016007866","","","1.54178","CuKα","","0.0348","0.0334","","","0.0898","0.0913","","","","","","1.06","","","","has coordinates,has Fobs","182997","2020-10-21","18:00:00",""
"2241687","12.9456","0.0006","4.7377","0.0002","21.9025","0.001","90","","104.77","0.002","90","","1298.94","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-Bromo-N-[2-(trifluoromethyl)phenyl]benzamide","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C56 H36 Br4 F12 N4 O4 -","4","1","SU5298","Suchetan, P. A.; Suresha, E.; Naveen, S.; Lokanath, N. K.","Crystal structures of 3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide, 3-bromo-N-[2-(trifluoromethyl)phenyl]benzamide and 3-iodo-N-[2-(trifluoromethyl)phenyl]benzamide","Acta Crystallographica Section E","2016","72","6","819","823","10.1107/S2056989016007866","","","1.54178","CuKα","","0.0359","0.0341","","","0.0886","0.0897","","","","","","1.054","","","","has coordinates,has Fobs","182997","2020-10-21","18:00:00",""
"2241688","13.3358","0.0006","4.7471","0.0002","22.3558","0.001","90","","105.848","0.002","90","","1361.47","0.1","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-Iodo-N-[2-(trifluoromethyl)phenyl]benzamide","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","SU5298","Suchetan, P. A.; Suresha, E.; Naveen, S.; Lokanath, N. K.","Crystal structures of 3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide, 3-bromo-N-[2-(trifluoromethyl)phenyl]benzamide and 3-iodo-N-[2-(trifluoromethyl)phenyl]benzamide","Acta Crystallographica Section E","2016","72","6","819","823","10.1107/S2056989016007866","","","1.54178","CuKα","","0.0439","0.0426","","","0.1074","0.1087","","","","","","1.089","","","","has coordinates,has Fobs","182997","2020-10-21","18:00:00",""
"2241689","9.305","0.0005","9.4479","0.0005","19.5429","0.0009","90","","99.205","0.002","90","","1695.94","0.15","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3-Bis(1H-benzotriazol-1-ylmethyl)benzene","","- C20 H16 N6 -","- C20 H16 N6 -","- C80 H64 N24 -","4","1","BG2585","Macías, Mario A.; Nuñez-Dallos, Nelson; Hurtado, John; Suescun, Leopoldo","Crystal structure of 1,3-bis(1H-benzotriazol-1-ylmethyl)benzene","Acta Crystallographica Section E","2016","72","6","815","818","10.1107/S2056989016007805","","","0.71073","MoKα","","0.084","0.0671","","","0.1478","0.1598","","","","","","1.418","","","","has coordinates,has Fobs","182998","2020-10-21","18:00:00",""
"2241690","13.883","0.003","6.7448","0.0013","19.11","0.004","90","","102","0.03","90","","1750.3","0.7","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7,8,17,18-Tetrabromo-5,10,15,20-tetraphenylporphyrin","","- C44 H26 Br4 N4 -","- C44 H26 Br4 N4 -","- C88 H52 Br8 N8 -","2","0.5","HB7580","Scheidt, W. Robert; Duval, Hugues F.; Oliver, Allen G.","Ring-strain release in neutral and dicationic 7,8,17,18-tetrabromo-5,10,15,20-tetraphenylporphyrin: crystal structures of C~44~H~26~Br~4~N~4~ and C~44~H~28~Br~4~N~4~^2+^·2ClO~4~^{-^}·3CH~2~Cl~2~","Acta Crystallographica Section E","2016","72","6","824","828","10.1107/S2056989016007349","","","0.71073","MoKα","","0.0835","0.0592","","","0.1307","0.1562","","","","","","1.077","","","","has coordinates","183053","2020-10-21","18:00:00",""
"2241691","12.903","0.003","13.761","0.003","14.876","0.003","90","","96.67","0.03","90","","2623.5","1","130","2","130","2","","","","","","","","6","P 1 n 1","P -2yac","7","","7,8,17,18-Tetrabromo-5,10,15,20-tetraphenylporphyrin(2+) bis(perchlorate) dichloromethane trisolvate","","- C47 H34 Br4 Cl8 N4 O8 -","- C47 H34 Br4 Cl8 N4 O8 -","- C94 H68 Br8 Cl16 N8 O16 -","2","1","HB7580","Scheidt, W. Robert; Duval, Hugues F.; Oliver, Allen G.","Ring-strain release in neutral and dicationic 7,8,17,18-tetrabromo-5,10,15,20-tetraphenylporphyrin: crystal structures of C~44~H~26~Br~4~N~4~ and C~44~H~28~Br~4~N~4~^2+^·2ClO~4~^{-^}·3CH~2~Cl~2~","Acta Crystallographica Section E","2016","72","6","824","828","10.1107/S2056989016007349","","","0.71073","MoKα","","0.0848","0.0596","","","0.1509","0.1851","","","","","","1.06","","","","has coordinates,has Fobs","183053","2020-10-21","18:00:00",""
"2241692","12.655","0.002","13.578","0.002","7.1405","0.0008","90","","112.58","0.02","90","","1132.9","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Nonasodium chromium(III) hexakis[molybdate(VI)]","","- Cr Mo6 Na9 O24 -","- Cr Mo6 Na9 O24 -","- Cr2 Mo12 Na18 O48 -","2","0.25","RU2067","Sonni, Manel; Marzouki, Riadh; Zid, Mohamed Faouzi; Souilem, Amira","Elaboration, étude structurale et analyse CHARDI et BVS d'une nouvelle variété β-Na~9~Cr(MoO~4~)~6~ de type alluaudite","Acta Crystallographica Section E","2016","72","6","833","837","10.1107/S205698901600774X","","","0.71073","MoKα","","0.0349","0.0279","","","0.0769","0.0801","","","","","","1.058","","","","has coordinates,has Fobs","213925","2020-10-21","18:00:00",""
"2241693","26.9702","0.0005","14.3845","0.0002","34.1762","0.0007","90","","111.896","0.002","90","","12302.3","0.4","203","0.1","203","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Manganese(II) Wells‒Dawson polyoxotungstate","Hexakis(dimethylformamide-κO)manganese(II) decakis(dimethylformamide-1κ^5^O,2κ^5^O)[μ-octadecatungstodiphosphato(V)-κO:κO']dimanganate(II) dimethylformamide disolvate","","- C54 H126 Mn3 N18 O80 P2 W18 -","- C54 H126 Mn3 N18 O80 P2 W18 -","- C216 H504 Mn12 N72 O320 P8 W72 -","4","0.5","GK2660","Dhifallah, Fatma; Belkhiria, Mohamed Salah","Crystal structure of hexakis(dimethylformamide-κO)manganese(II) decakis(dimethylformamide-1κ^5^O,2κ^5^O)[μ-octadecatungstodiphosphato(V)-κO:κO']dimanganate(II) dimethylformamide disolvate","Acta Crystallographica Section E","2016","72","6","841","844","10.1107/S2056989016007842","","","0.71073","MoKα","","0.043","0.0348","","","0.0674","0.0715","","","","","","1.116","","","","has coordinates,has Fobs","183055","2020-10-21","18:00:00",""
"2241694","9.461","0.0008","11.673","0.001","12.9862","0.0011","83.78","0.002","79.998","0.002","67.335","0.002","1301.95","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(1RS,21SR,22RS,24SR)-28-Oxo-24-propyl-8,11,14-trioxa-24,27-diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa-2,4,6,15(20),16,18-hexaene acetic acid monosolvate","","- C28 H36 N2 O6 -","- C28 H36 N2 O6 -","- C56 H72 N4 O12 -","2","1","CV5505","Hieu, Truong Hong; Anh, Le Tuan; Soldatenkov, Anatoly T.; Tuyen, Nguyen Van; Khrustalev, Victor N.","Crystal structure of (1RS,21SR,22RS,24SR)-28-oxo-24-propyl-8,11,14-trioxa-24,27-diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa-2,4,6,15(20),16,18-hexaene acetic acid monosolvate","Acta Crystallographica Section E","2016","72","6","829","832","10.1107/S2056989016007556","","","0.71073","MoKα","","0.1062","0.0646","","","0.1245","0.1425","","","","","","1.012","","","","has coordinates,has Fobs","183056","2020-10-21","18:00:00",""
"2241695","11.8318","0.0002","12.0638","0.0004","12.3169","0.0002","98.26","0.001","114.283","0.001","101.418","0.001","1520.15","0.06","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","{(E)-2-[(Phenylimino)methyl]phenolato-κ^2^N,O}bis[2-(pyridin-2-yl)phenyl-κ^2^C^1^,N]iridium(III) dichloromethane monosolvate","","- C36 H28 Cl2 Ir N3 O -","- C36 H28 Cl2 Ir N3 O -","- C72 H56 Cl4 Ir2 N6 O2 -","2","1","","Goo, Moo-Sung; Park, Ki-Min; Kim, Hee-Joon","Crystal structure of {(E)-2-[(phenylimino)methyl]phenolato-κ^2^N,O}bis[2-(pyridin-2-yl)phenyl-κ^2^C^1^,N]iridium(III) dichloromethane monosolvate","Acta Crystallographica Section E","2016","72","6","838","840","10.1107/S2056989016008100","","","0.71073","MoKα","","0.0208","0.0187","","","0.0465","0.047","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","183057","2020-10-21","18:00:00",""
"2241696","7.2124","0.0009","14.1782","0.0019","20.794","0.003","90","","90","","90","","2126.4","0.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(Pyridin-2-yl)-3-(pyridin-3-yl)propane-1,3-dione","(2Z)-3-Hydroxy-1-(pyridin-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","1","HB7587","Lee, Sze-Ling; Tan, Ai Ling; Young, David J.; Jotani, Mukesh M.; Tiekink, Edward R. T.","(2Z)-3-Hydroxy-1-(pyridin-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","6","849","853","10.1107/S205698901600832X","","","0.71073","MoKα","","0.0521","0.0422","","","0.1137","0.1205","","","","","","1.045","","","","has coordinates,has Fobs","183122","2020-10-21","18:00:00",""
"2241697","7.4178","0.0012","11.2436","0.0015","16.116","0.0018","90","","93.148","0.004","90","","1342.1","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","16-Ferrocenylmethyl-3β-hydroxyestra-1,3,5(10)-trien-17-one dimethyl sulfoxide monosolvate","","- C31 H38 Fe O3 S -","- C31 H38 Fe O3 S -","- C62 H76 Fe2 O6 S2 -","2","1","BG2586","Carmona-Negrón, José A.; Flores-Rivera, Mariola M.; Díaz-Reyes, Zaibeth; Moore, Curtis E.; Rheigold, Arnold L.; Meléndez, Enrique","Crystal structure of 16-ferrocenylmethyl-3β-hydroxyestra-1,3,5(10)-trien-17-one: a potential chemotherapeutic drug","Acta Crystallographica Section E","2016","72","6","868","871","10.1107/S2056989016008446","","","0.71073","MoKα","","0.048","0.0425","","","0.0927","0.0969","","","","","","1.02","","","","has coordinates","183123","2020-10-21","18:00:00",""
"2241698","6.9","0.004","6.928","0.001","11.055","0.001","80.24","0.01","83.55","0.02","80.22","0.03","511.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Fe Mg Mo3 Na O12 -","- Fe Mg Mo3 Na O12 -","- Fe2 Mg2 Mo6 Na2 O24 -","2","1","BR2259","Mhiri, Manel; Badri, Abdessalem; Ben Amara, Mongi","Synthesis and crystal structure of NaMgFe(MoO~4~)~3~","Acta Crystallographica Section E","2016","72","6","864","867","10.1107/S205698901600829X","","","0.71073","MoKα","","0.0265","0.025","","","0.0676","0.0682","","","","","","1.188","","","","has coordinates,has Fobs","183124","2020-10-21","18:00:00",""
"2241699","13.4674","0.0005","11.4709","0.0004","10.203","0.0003","90","","100.453","0.001","90","","1550.03","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-methyl-1H-imidazol-3-ium) μ-oxalato-bis[n-butyltrichloridostannate(IV)]","","- C18 H32 Cl6 N4 O4 Sn2 -","- C18 H32 Cl6 N4 O4 Sn2 -","- C36 H64 Cl12 N8 O8 Sn4 -","2","0.5","WM5293","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Crystal structure of bis(2-methyl-1H-imidazol-3-ium) μ-oxalato-bis[n-butyltrichloridostannate(IV)]","Acta Crystallographica Section E","2016","72","6","858","860","10.1107/S2056989016008434","","","0.71073","MoKα","","0.0241","0.021","","","0.0493","0.0511","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","183125","2020-10-21","18:00:00",""
"2241700","7.521","0.0001","13.3056","0.0003","14.8445","0.0004","69.283","0.001","76.336","0.002","85.759","0.002","1350.06","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium (+)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate","","- C27 H25 F9 N2 O4 -","- C27 H25 F9 N2 O4 -","- C54 H50 F18 N4 O8 -","2","2","HB7588","Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","A kryptoracemic salt: 2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium (+)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate","Acta Crystallographica Section E","2016","72","6","872","877","10.1107/S2056989016008495","","","0.71073","MoKα","","0.0536","0.0455","","","0.0996","0.1079","","","","","","1.042","","","","has coordinates,has Fobs","183128","2020-10-21","18:00:00",""
"2241701","4.2447","0.0014","16.95","0.005","21.839","0.007","90","","92.029","0.006","90","","1570.3","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1H-Pyrazol-2-ium 2,4,6-trinitrophenolate 1H-pyrazole","","- C12 H11 N7 O7 -","- C12 H11 N7 O7 -","- C48 H44 N28 O28 -","4","1","LH5810","Su, Ping; Song, Xue-gang; Sun, Ren-qiang; Xu, Xing-man","Hydrogen bonding in the crystal structure of the molecular salt of pyrazole‒pyrazolium picrate","Acta Crystallographica Section E","2016","72","6","861","863","10.1107/S2056989016008215","","","0.71073","MoKα","","0.1087","0.0565","","","0.1314","0.1574","","","","","","0.982","","","","has coordinates,has disorder,has Fobs","183129","2020-10-21","18:00:00",""
"2241702","13.5778","0.0003","9.9492","0.0003","19.024","0.0004","90","","98.302","0.002","90","","2542.99","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{4-bromo-2-[(carbamimidamidoimino)methyl]phenolato-κ^3^N,N',O}cobalt(III) nitrate dimethylformamide monosolvate","","- C19 H23 Br2 Co N10 O6 -","- C19 H23 Br2 Co N10 O6 -","- C76 H92 Br8 Co4 N40 O24 -","4","1","HG5475","Buvaylo, Elena A.; Kasyanova, Katerina A.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Crystal structure of bis{4-bromo-2-[(carbamimidamidoimino)methyl]phenolato-κ^3^N,N',O}cobalt(III) nitrate dimethylformamide monosolvate","Acta Crystallographica Section E","2016","72","7","907","911","10.1107/S2056989016008690","","","0.71073","MoKα","","0.0623","0.0453","","","0.1022","0.1096","","","","","","1.022","","","","has coordinates,has Fobs","183341","2020-10-21","18:00:00",""
"2241703","11.6801","0.0005","8.1098","0.0003","22.6345","0.0008","90","","98.736","0.002","90","","2119.14","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(benzoato-κO)dibutyltin(IV)","","- C22 H28 O4 Sn -","- C22 H28 O4 Sn -","- C88 H112 O16 Sn4 -","4","1","ZL2663","Reuter, Hans; Okio, Coco K. Y. A.","Crystal structure of bis(benzoato-κO)dibutyltin(IV), nBu~2~Sn(bzo)~2~","Acta Crystallographica Section E","2016","72","7","897","900","10.1107/S2056989016008604","","","0.71073","MoKα","","0.031","0.0281","","","0.0681","0.0699","","","","","","1.203","","","","has coordinates,has Fobs","183342","2020-10-21","18:00:00",""
"2241704","27.614","0.003","10.5561","0.0011","10.6875","0.0009","90","","91.722","0.009","90","","3114","0.5","298","1","298","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","trans-N,N'-Bis(3,5-di-tert-butyl-2-hydroxyphenyl)oxamide methanol monosolvate","","- C31 H48 N2 O5 -","- C30.9994 H47.9982 N2 O5 -","- C123.998 H191.993 N8 O20 -","4","0.5","SU5302","Velázquez-Carmona, Miguel-Ángel; Bernès, Sylvain; Ríos-Merino, Francisco Javier; Reyes Ortega, Yasmi","Crystal structure of trans-N,N'-bis(3,5-di-tert-butyl-2-hydroxyphenyl)oxamide methanol monosolvate","Acta Crystallographica Section E","2016","72","7","918","921","10.1107/S205698901600880X","","","0.71073","MoKα","","0.0834","0.0532","","","0.1354","0.1552","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","183343","2020-10-21","18:00:00",""
"2241705","13.8322","0.0006","15.0753","0.0004","21.0367","0.0009","90","","106.683","0.005","90","","4202","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-Dichlorido(4-chloroaniline-κN){3-methoxy-4-methoxycarbonylmethoxy-1-[(2,3-η)-prop-2-en-1-yl]benzene}platinum(II) 0.1-hydrate","","- C19 H22.2 Cl3 N O4.1 Pt -","- C19 H22 Cl3 N O4.05 Pt -","- C152 H176 Cl24 N8 O32.4 Pt8 -","8","1","RZ5189","Le Thi Hong, Hai; Dao Thi Bich, Diep; Nguyen Bich, Ngan; Van Meervelt, Luc","Crystal structures of organoplatinum complexes containing alkyleugenoxyacetate and p-chloroaniline","Acta Crystallographica Section E","2016","72","7","912","917","10.1107/S2056989016008872","","","0.71073","MoKα","","0.0351","0.0324","","","0.0629","0.0639","","","","","","1.216","","","","has coordinates,has disorder,has Fobs","183344","2020-10-21","18:00:00",""
"2241706","9.9093","0.0003","10.0102","0.0003","11.1414","0.0004","97.302","0.003","99.706","0.003","92.572","0.002","1078.02","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","trans-Dichlorido(4-chloroaniline-κN){4-ethoxycarbonylmethoxy-3-methoxy-1-[(2,3-η)-prop-2-en-1-yl]benzene}platinum(II)","","- C20 H24 Cl3 N O4 Pt -","- C20 H24 Cl3 N O4 Pt -","- C40 H48 Cl6 N2 O8 Pt2 -","2","1","RZ5189","Le Thi Hong, Hai; Dao Thi Bich, Diep; Nguyen Bich, Ngan; Van Meervelt, Luc","Crystal structures of organoplatinum complexes containing alkyleugenoxyacetate and p-chloroaniline","Acta Crystallographica Section E","2016","72","7","912","917","10.1107/S2056989016008872","","","0.71073","MoKα","","0.0288","0.0264","","","0.0555","0.0565","","","","","","1.199","","","","has coordinates,has disorder,has Fobs","183344","2020-10-21","18:00:00",""
"2241707","7.9608","0.0005","10.0679","0.0006","12.3007","0.0007","72.087","0.002","74.841","0.003","78.66","0.003","898.17","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(4-tert-butylbenzoato-κO)bis(nicotinamide-κN^1^)cobalt(II) dihydrate","","- C34 H46 Co N4 O10 -","- C34 H46 Co N4 O10 -","- C34 H46 Co N4 O10 -","1","0.5","PK2579","Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Özkaya, Safiye; Çatak Çelik, Raziye; Hökelek, Tuncer","Crystal structure of diaquabis(4-tert-butylbenzoato-κO)bis(nicotinamide-κN^1^)cobalt(II) dihydrate","Acta Crystallographica Section E","2016","72","7","888","891","10.1107/S2056989016008689","","","0.71073","MoKα","","0.0384","0.0358","","","0.0982","0.1014","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","183345","2020-10-21","18:00:00",""
"2241708","9.1047","0.001","10.0086","0.0011","10.5871","0.0011","90","","90","","90","","964.75","0.18","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(R)-(-)-O-acetylmandelic acid","(R)-(-)-2-Acetoxy-2-phenylacetic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","PK2580","Cirbes, Cady; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of (R)-O-acetylmandelic acid","Acta Crystallographica Section E","2016","72","7","901","903","10.1107/S2056989016008653","","","1.54178","CuKα","","0.025","0.025","","","0.0623","0.0623","","","","","","1.099","","","","has coordinates,has Fobs","183347","2020-10-21","18:00:00",""
"2241709","10.609","0.002","11.669","0.002","14.319","0.002","74.741","0.002","70.932","0.002","89.095","0.002","1611.5","0.5","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","(Acetato-κO)(ethanol-κO)[(9S,17S,21S,29S)-9,17,21,29-tetrahydroxy-18,30-dioxaoctacyclo[18.10.0.0^2,7^.0^8,19^.0^9,17^.0^11,16^.0^21,29^.0^23,28^]triaconta-1,3,5,7,11(16),12,14,19,23(28),24,26-undecaene-10,22-dione-κ^3^O^18^,O^21^,O^22^]caesium ethanol monosolvate","","- C34 H31 Cs O12 -","- C34 H31 Cs O12 -","- C68 H62 Cs2 O24 -","2","1","LH5813","Bengiat, Ravell; Gil, Maayan; Klein, Asne; Bogoslavsky, Benny; Cohen, Shmuel; Yardeni, Guy; Zilbermann, Israel; Almog, Joseph","Crystal structure of (acetato-κO)(ethanol-κO)[(9S,17S,21S,29S)-9,17,21,29-tetrahydroxy-18,30-dioxaoctacyclo[18.10.0.0^2,7^.0^8,19^.0^9,17^.0^11,16^.0^21,29^.0^23,28^]triaconta-1,3,5,7,11(16),12,14,19,23(28),24,26-undecaene-10,22-dione-κ^3^O^18^,O^21^,O^22^]caesium ethanol monosolvate","Acta Crystallographica Section E","2016","72","7","884","887","10.1107/S2056989016008860","","","0.71073","MoKα","","0.0342","0.0336","","","0.0848","0.0853","","","","","","1.19","","","","has coordinates,has Fobs","183348","2020-10-21","18:00:00",""
"2241710","5.51","0.003","14.809","0.009","10.824","0.007","90","","100.757","0.007","90","","867.7","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(4-Acetylanilino)-2-oxoethyl 3-(4-hydroxyphenyl)propionate","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C38 H38 N2 O10 -","2","1","IS5453","Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon","Crystal structure of 2-(4-acetylanilino)-2-oxoethyl 3-(4-hydroxyphenyl)propionate","Acta Crystallographica Section E","2016","72","7","933","936","10.1107/S205698901600894X","","","0.71073","MoKα","","0.1278","0.053","","","0.1001","0.126","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","183349","2020-10-21","18:00:00",""
"2241711","8.356","0.0011","13.7347","0.0013","11.2928","0.0012","90","","93.991","0.009","90","","1292.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[N,N-diethyl-2-hydroxyethan-1-aminium [μ~3~-cyanido-κ^3^C:C:N-di-μ-cyanido-κ^4^C:N-dicuprate(I)]]","","- C9 H16 Cu2 N4 O -","- C9 H15 Cu2 N4 O -","- C36 H60 Cu8 N16 O4 -","4","1","WM5295","Corfield, Peter W. R.; Cleary, Emma; Michalski, Joseph F.","Crystal structure of poly[N,N-diethyl-2-hydroxyethan-1-aminium [μ~3~-cyanido-κ^3^C:C:N-di-μ-cyanido-κ^4^C:N-dicuprate(I)]]","Acta Crystallographica Section E","2016","72","7","892","896","10.1107/S2056989016008781","","","0.71073","MoKα","","0.0361","0.0269","","","0.0774","0.0815","","","","","","1.047","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"2241712","7.2117","0.0003","8.0491","0.0003","23.6242","0.0009","90","","94.388","0.004","90","","1367.31","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Methyl-N-(3-methylphenyl)-2-oxo-2H-chromene-3-carboxamide","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Gomes, Lígia R.; Low, John Nicolson; Fonseca, André; Matos, Maria João; Borges, Fernanda","Crystal structures of three 6-substituted coumarin-3-carboxamide derivatives","Acta Crystallographica Section E","2016","72","7","926","932","10.1107/S2056989016008665","","","0.71075","MoKα","","0.0525","0.0411","","","0.1128","0.1203","","","","","","1.031","","","","has coordinates,has Fobs","183351","2020-10-21","18:00:00",""
"2241713","7.1028","0.0004","10.1367","0.0004","10.8171","0.0005","75.827","0.004","88.318","0.004","71.271","0.004","714.1","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","6-Methyl-N-(3-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C36 H30 N2 O8 -","2","1","","Gomes, Lígia R.; Low, John Nicolson; Fonseca, André; Matos, Maria João; Borges, Fernanda","Crystal structures of three 6-substituted coumarin-3-carboxamide derivatives","Acta Crystallographica Section E","2016","72","7","926","932","10.1107/S2056989016008665","","","0.71075","MoKα","","0.0576","0.0469","","","0.1304","0.139","","","","","","1.02","","","","has coordinates,has Fobs","183351","2020-10-21","18:00:00",""
"2241714","6.7722","0.0005","8.3098","0.0007","14.4202","0.0013","91.874","0.007","100.009","0.007","113.042","0.007","730.84","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","6-Methoxy-N-(3-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C36 H30 N2 O10 -","2","1","","Gomes, Lígia R.; Low, John Nicolson; Fonseca, André; Matos, Maria João; Borges, Fernanda","Crystal structures of three 6-substituted coumarin-3-carboxamide derivatives","Acta Crystallographica Section E","2016","72","7","926","932","10.1107/S2056989016008665","","","0.71073","MoKα","","0.0935","0.071","","","0.1414","0.1518","","","","","","1.159","","","","has coordinates,has Fobs","183351","2020-10-21","18:00:00",""
"2241715","19.1926","0.0009","36.3044","0.0012","5.293","0.0002","90","","90","","90","","3688","0.3","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Bis(isonicotinamide-κN^1^)bis(thiocyanato-κN)zinc","","- C14 H12 N6 O2 S2 Zn -","- C14 H12 N6 O2 S2 Zn -","- C112 H96 N48 O16 S16 Zn8 -","8","0.5","WM5297","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of bis(isonicotinamide-κN^1^)bis(thiocyanato-κN)zinc","Acta Crystallographica Section E","2016","72","7","922","925","10.1107/S2056989016008963","","","0.71073","MoKα","","0.0349","0.0311","","","0.0658","0.0672","","","","","","1.125","","","","has coordinates,has Fobs","183352","2020-10-21","18:00:00",""
"2241716","12.0996","0.0014","24.511","0.003","11.2999","0.0013","90","","119.577","0.003","90","","2914.6","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Hexakis(dimethyl sulfoxide-κO)manganese(II) diiodide","","- C12 H36 I2 Mn O6 S6 -","- C12 H36 I2 Mn O6 S6 -","- C48 H144 I8 Mn4 O24 S24 -","4","1","SU5305","Glatz, Mathias; Schroffenegger, Martina; Weil, Matthias; Kirchner, Karl","Crystal structure of hexakis(dimethyl sulfoxide-κO)manganese(II) diiodide","Acta Crystallographica Section E","2016","72","7","904","906","10.1107/S2056989016008896","","","0.71073","MoKα","","0.0649","0.0441","","","0.068","0.0742","","","","","","1.155","","","","has coordinates,has Fobs","183353","2020-10-21","18:00:00",""
"2241717","9.036","0.0003","6.1683","0.0002","11.9601","0.0004","90","","91.433","0.002","90","","666.41","0.04","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","Ruizite","Dicalcium dimanganese(III) tetrasilicate tetrahydroxide dihydrate","","- Ca2 H8 Mn2 O17 Si4 -","- Ca2 H8 Mn2 O17 Si4 -","- Ca4 H16 Mn4 O34 Si8 -","2","0.5","WM5291","Fendrich, Kim V.; Downs, Robert T.; Origlieri, Marcus J.","Redetermination of ruizite, Ca~2~Mn^3+^~2~[Si~4~O~11~(OH)~2~](OH)~2~·2H~2~O","Acta Crystallographica Section E","2016","72","7","959","963","10.1107/S2056989016009129","","","0.71073","MoKα","","0.0413","0.03","","","0.0617","0.0653","","","","","","1.061","","","","has coordinates,has Fobs","183675","2020-10-21","18:00:00",""
"2241718","8.885","0.008","14.253","0.013","11.583","0.011","90","","92.76","0.009","90","","1465","2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-[(2-Bromopyridin-3-yl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1(2H)-one","","- C17 H14 Br N O2 -","- C17 H14 Br N O2 -","- C68 H56 Br4 N4 O8 -","4","1","","Zingales, Sarah K.; Moore, Morgan E.; Goetz, Andrew D.; Padgett, Clifford W.","Crystal structure of (E)-2-[(2-bromopyridin-3-yl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1(2H)-one and 3-[(E)-(6-methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene)methyl]pyridin-2(1H)-one","Acta Crystallographica Section E","2016","72","7","955","958","10.1107/S2056989016009300","","","0.71075","MoKα","","","0.0406","","","","0.0877","","","","","","0.985","","","","has coordinates,has Fobs","183676","2020-10-21","18:00:00",""
"2241719","8.079","0.008","12.296","0.012","14.009","0.013","88.85","0.03","76.969","0.016","89.43","0.03","1356","2","173","","173","","","","","","","","","4","P -1","-P 1","2","","3-[(E)-(6-Methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene)methyl]pyridin-2(1H)-one","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","2","","Zingales, Sarah K.; Moore, Morgan E.; Goetz, Andrew D.; Padgett, Clifford W.","Crystal structure of (E)-2-[(2-bromopyridin-3-yl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1(2H)-one and 3-[(E)-(6-methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene)methyl]pyridin-2(1H)-one","Acta Crystallographica Section E","2016","72","7","955","958","10.1107/S2056989016009300","","","0.71075","MoKα","","","0.0581","","","","0.1568","","","","","","1.033","","","","has coordinates,has Fobs","183676","2020-10-21","18:00:00",""
"2241720","8.4332","0.0008","20.1895","0.0017","21.0104","0.0019","102.338","0.003","100.996","0.003","98.412","0.003","3364.6","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(Piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]\ porphyrinato-κ^4^N}zinc unknown solvate","","- C76 H54 N6 O8 Zn -","- C76 H54 N6 O8 Zn -","- C152 H108 N12 O16 Zn2 -","2","1","LH5815","Nasri, Soumaya; Ezzayani, Khaireddine; Turowska-Tyrk, Ilona; Roisnel, Thierry; Nasri, Habib","Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ^4^N}zinc","Acta Crystallographica Section E","2016","72","7","937","942","10.1107/S2056989016009269","","","0.71073","MoKα","","0.0475","0.0428","","","0.1153","0.1187","","","","","","1.05","","","","has coordinates,has Fobs","183677","2020-10-21","18:00:00",""
"2241721","12.1863","0.0009","10.7079","0.0008","11.1726","0.0008","90","","105.412","0.008","90","","1405.48","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Hydroxy-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4(3H)-one","","- C15 H12 N4 O4 -","- C15 H12 N4 O4 -","- C60 H48 N16 O16 -","4","1","HB7590","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher","Crystal structure of 6-hydroxy-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4(3H)-one","Acta Crystallographica Section E","2016","72","7","969","971","10.1107/S2056989016009075","","","0.71073","MoKα","","0.0713","0.0505","","","0.1176","0.1344","","","","","","1.071","","","","has coordinates,has Fobs","183678","2020-10-21","18:00:00",""
"2241722","13.7168","0.0006","4.5783","0.0001","16.5929","0.0011","90","","97.464","0.007","90","","1033.2","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 5-chloro-1H-indole-2-carboxylate","","- C11 H10 Cl N O2 -","- C11 H10 Cl N O2 -","- C44 H40 Cl4 N4 O8 -","4","1","SJ5499","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Weak interactions in the crystal structures of two indole derivatives","Acta Crystallographica Section E","2016","72","7","964","968","10.1107/S2056989016008616","","","0.71073","MoKα","","0.0358","0.0309","","","0.0803","0.0821","","","","","","1.089","","","","has coordinates,has Fobs","183679","2020-10-21","18:00:00",""
"2241723","7.7733","0.0005","7.824","0.0005","10.4594","0.0007","86.085","0.008","80.575","0.007","71.308","0.006","594.35","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 5-chloro-3-iodo-1H-indole-2-carboxylate","","- C11 H9 Cl I N O2 -","- C11 H9 Cl I N O2 -","- C22 H18 Cl2 I2 N2 O4 -","2","1","SJ5499","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Weak interactions in the crystal structures of two indole derivatives","Acta Crystallographica Section E","2016","72","7","964","968","10.1107/S2056989016008616","","","0.71073","MoKα","","0.0221","0.0216","","","0.0577","0.058","","","","","","1.042","","","","has coordinates,has Fobs","183679","2020-10-21","18:00:00",""
"2241724","13.301","0.003","13.797","0.003","16.527","0.003","75.919","0.013","71.129","0.012","69.383","0.012","2657.3","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[silver(I)-bis{μ-4-[1-(5'-isopropyl-[1,1':3',1''-terphenyl]-2'-yl)-1H-imidazol-2-yl]pyridine-κ^2^N:N'}] nitrate methanol monosolvate monohydrate]","","- C59 H56 Ag N7 O5 -","- C59 H54 Ag N7 O5 -","- C118 H108 Ag2 N14 O10 -","2","1","","Moon, Suk-Hee; Park, Ki-Min; Kang, Youngjin","Crystal structure of a one-dimensional looped-chain silver(I) coordination polymer: catena-poly[[silver(I)-bis{μ-4-[1-(5'-isopropyl-[1,1':3',1''-terphenyl]-2'-yl)-1H-imidazol-2-yl]pyridine-κ^2^N:N'}] nitrate methanol monosolvate monohydrate]","Acta Crystallographica Section E","2016","72","7","972","975","10.1107/S205698901600949X","","","0.71073","MoKα","","0.1312","0.0831","","","0.187","0.2084","","","","","","1.066","","","","has coordinates,has Fobs","183680","2020-10-21","18:00:00",""
"2241725","12.4229","0.0005","9.6392","0.0005","13.2384","0.0006","90","","102.457","0.003","90","","1547.94","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-[(E)-(4-hydroxy-3-methoxybenzylidene)amino]benzoate","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Ling, Jing; Kavuru, Padmini; Wojtas, Lukasz; Chadwick, Keith","Crystal structure of ethyl 4-[(E)-(4-hydroxy-3-methoxybenzylidene)amino]benzoate: a p-hydroxy Schiff base","Acta Crystallographica Section E","2016","72","7","951","954","10.1107/S2056989016008999","","","1.54178","CuKα","","0.0515","0.0402","","","0.1113","0.1208","","","","","","1.05","","","","has coordinates,has Fobs","183681","2020-10-21","18:00:00",""
"2241726","10.833","0.0012","10.833","0.0012","39.169","0.005","90","","90","","120","","3980.8","0.8","173","2","173.15","","","","","","","","","3","P 32","P 32","145","Dimethyl-3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate","","","- C34 H28 O4 -","- C34 H28 O4 -","- C204 H168 O24 -","6","2","ZL2665","Greenberg, Fred H.; Nazarenko, Alexander Y.","Crystal structure of dimethyl 3,4,5,6-tetraphenylcyclohexa-3,5-diene-1,2-dicarboxylate","Acta Crystallographica Section E","2016","72","7","947","950","10.1107/S2056989016009403","","","1.54178","CuKα","","0.035","0.0334","","","0.0899","0.0914","","","","","","1.045","","","","has coordinates,has Fobs","183682","2020-10-21","18:00:00",""
"2241727","8.5318","0.0004","15.9973","0.0008","9.4637","0.0005","90","","102.738","0.002","90","","1259.87","0.11","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-N'-(2-Hydroxy-5-methylbenzylidene)isonicotinohydrazide","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Chainok, Kittipong; Makmuang, Sureerat; Kielar, Filip","Crystal structures of (E)-N'-(2-hydroxy-5-methylbenzylidene)isonicotinohydrazide and (E)-N'-(5-fluoro-2-hydroxybenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2016","72","7","980","983","10.1107/S2056989016009762","","","0.71073","MoKα","","0.0774","0.0457","","","0.1105","0.1261","","","","","","1.012","","","","has coordinates,has Fobs","183683","2020-10-21","18:00:00",""
"2241728","8.9195","0.0003","10.1128","0.0003","13.6254","0.0004","90","","103.481","0.001","90","","1195.16","0.06","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(5-Fluoro-2-hydroxybenzylidene)isonicotinohydrazide","","- C13 H10 F N3 O2 -","- C13 H10 F N3 O2 -","- C52 H40 F4 N12 O8 -","4","1","","Chainok, Kittipong; Makmuang, Sureerat; Kielar, Filip","Crystal structures of (E)-N'-(2-hydroxy-5-methylbenzylidene)isonicotinohydrazide and (E)-N'-(5-fluoro-2-hydroxybenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2016","72","7","980","983","10.1107/S2056989016009762","","","0.71073","MoKα","","0.0623","0.0423","","","0.1106","0.1237","","","","","","1.031","","","","has coordinates,has Fobs","183683","2020-10-21","18:00:00",""
"2241729","14.4354","0.0005","14.1925","0.0005","19.1682","0.0006","90","","98.786","0.001","90","","3881","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Benzenecarbothioamide-κS)bromidobis(triphenylphosphane-κP)silver(I)","","- C43 H37 Ag Br N P2 S -","- C43 H37 Ag Br N P2 S -","- C172 H148 Ag4 Br4 N4 P8 S4 -","4","1","HB7592","Ruangwut, Wattana; Saithong, Saowanit; Pakawatchai, Chaveng","Crystal structure and Hirshfeld-surface analysis of (benzenecarbothioamide-κS)bromidobis(triphenylphosphane-κP)silver(I)","Acta Crystallographica Section E","2016","72","7","984","987","10.1107/S2056989016009518","","","0.71073","MoKα","","0.0606","0.0362","","","0.0759","0.0849","","","","","","1.017","","","","has coordinates,has Fobs","183841","2020-10-21","18:00:00",""
"2241730","8.4458","0.0003","11.4318","0.0005","13.8713","0.0006","76.94","0.005","85.785","0.005","77.541","0.005","1273.49","0.1","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","Chlorido[trans-1-(diphenylphosphanethioyl-κS)-2-(diphenylphosphanoyl)ethene]gold(I) dichloromethane hemisolvate","","- C26.5 H23 Au Cl2 O P2 S -","- C26.5 H23 Au Cl2 O P2 S -","- C53 H46 Au2 Cl4 O2 P4 S2 -","2","1","PJ2031","Taouss, Christina; Jones, Peter G.","Crystal structure of chlorido[trans-1-(diphenylphosphanethioyl-κS)-2-(diphenylphosphanoyl)ethene]gold(I) dichloromethane hemisolvate","Acta Crystallographica Section E","2016","72","7","1006","1008","10.1107/S2056989016009816","","","0.71073","MoKα","","0.038","0.0284","","","0.0681","0.0695","","","","","","0.975","","","","has coordinates,has disorder,has Fobs","183842","2020-10-21","18:00:00",""
"2241731","8.6918","0.0012","12.0588","0.0016","20.068","0.003","90","","90.153","0.003","90","","2103.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2,7,12-Trimethyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-\ 1(17),13,15-triene-κ^4^N]copper(II) bis(perchlorate)","","- C16 H28 Cl2 Cu N4 O8 -","- C16 H28 Cl2 Cu N4 O8 -","- C64 H112 Cl8 Cu4 N16 O32 -","4","1","ZL2666","Hilvano, Edward Gabrielle V.; Yang, Guang; Emnacen, Inno A.; Rybak-Akimova, Elena V.; Billones, Junie B.; Carrillo, Maria Constancia O.; Noll, Bruce C.; Organo, Voltaire G.","Synthesis and crystal structure of [2,7,12-trimethyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene-κ^4^N]copper(II) bis(perchlorate)","Acta Crystallographica Section E","2016","72","7","1009","1012","10.1107/S2056989016009701","","","0.71073","MoKα","","0.0272","0.0255","","","0.0616","0.0623","","","","","","1.062","","","","has coordinates,has Fobs","183843","2020-10-21","18:00:00",""
"2241732","14.682","0.002","7.689","0.004","21.28","0.003","90","","97.197","0.01","90","","2383.4","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[4-(dimethylamino)pyridinium] aquabis(oxalato)oxidovanadate(IV) dihydrate","","- C18 H28 N4 O12 V -","- C18 H28 N4 O12 V -","- C72 H112 N16 O48 V4 -","4","0.5","WM5298","Sehimi, Hiba; Chérif, Ichraf; Zid, Mohamed Faouzi","Crystal structure of bis[4-(dimethylamino)pyridinium] aquabis(oxalato)oxidovanadate(IV) dihydrate","Acta Crystallographica Section E","2016","72","7","1002","1005","10.1107/S2056989016009695","","","0.71073","MoKα","","0.0683","0.038","","","0.094","0.1064","","","","","","1.013","","","","has coordinates,has Fobs","183844","2020-10-21","18:00:00",""
"2241733","5.7268","0.0003","5.7268","0.0003","9.9841","0.0006","90","","90","","120","","283.57","0.03","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","Dilithium germanium trimolybdenum octaoxide","","- Ge Li2 Mo3 O8 -","- Ge Li2 Mo3 O8 -","- Ge2 Li4 Mo6 O16 -","2","0.166667","WM5299","Gall, Philippe; Gougeon, Patrick","Li~2~GeMo~3~O~8~: a novel reduced molybdenum oxide containing Mo~3~O~13~ cluster units","Acta Crystallographica Section E","2016","72","7","995","997","10.1107/S2056989016009750","","","0.71073","MoKα","","0.0322","0.0304","","","0.0753","0.0762","","","","","","1.101","","","","has coordinates,has Fobs","183845","2020-10-21","18:00:00",""
"2241734","4.794","0.0004","14.412","0.0009","14.536","0.0009","90","","93.848","0.006","90","","1002.04","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Ethyl-4-methyl-1-(2-oxido-3,4-dioxocyclobut-1-en-1-yl)-1H-imidazol-3-ium","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C40 H40 N8 O12 -","4","1","XU5888","Korkmaz, Ufuk; Bulut, Iclal; Bulut, Ahmet","Crystal structure of 2-ethyl-4-methyl-1-(2-oxido-3,4-dioxocyclobut-1-en-1-yl)-1H-imidazol-3-ium","Acta Crystallographica Section E","2016","72","7","998","1001","10.1107/S2056989016009725","","","0.71073","MoKα","","0.1642","0.0801","","","0.184","0.2469","","","","","","1.039","","","","has coordinates,has Fobs","183846","2020-10-21","18:00:00",""
"2241735","10.2566","0.0004","16.5665","0.0008","11.512","0.0005","90","","115.86","0.003","90","","1760.2","0.14","147","2","147","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(3-methylphenoxy)(phthalocyanine)silicon","","- C46 H30 N8 O2 Si -","- C46 H30 N8 O2 Si -","- C92 H60 N16 O4 Si2 -","2","1","HB7581","Lessard, Beno\?ît H.; Lough, Alan J.; Bender, Timothy P.","Crystal structures of bis(phenoxy)silicon phthalocyanines: increasing π‒π interactions, solubility and disorder and no halogen bonding observed","Acta Crystallographica Section E","2016","72","7","988","994","10.1107/S205698901600935X","","","1.54178","CuKα","","0.0514","0.0439","","","0.1061","0.1111","","","","","","1.027","","","","has coordinates,has Fobs","183847","2020-10-21","18:00:00",""
"2241736","12.6431","0.0006","19.587","0.001","7.5403","0.0004","90","","103.222","0.001","90","","1817.78","0.16","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2-sec-butylphenoxy)(phthalocyanine)silicon","","- C44 H24 I2 N8 O2 Si -","- C44 H24 I2 N8 O2 Si -","- C88 H48 I4 N16 O4 Si2 -","2","0.5","","Lessard, Beno\?ît H.; Lough, Alan J.; Bender, Timothy P.","Crystal structures of bis(phenoxy)silicon phthalocyanines: increasing π‒π interactions, solubility and disorder and no halogen bonding observed","Acta Crystallographica Section E","2016","72","7","988","994","10.1107/S205698901600935X","","","0.71073","MoKα","","0.0408","0.0365","","","0.0969","0.1011","","","","","","1.066","","","","has coordinates,has Fobs","183847","2020-10-21","18:00:00",""
"2241737","10.9239","0.0003","25.7282","0.0007","33.2065","0.0008","90","","90","","90","","9332.8","0.4","220","2","220","2","","","","","","","","5","I b c a","-I 2b 2c","73","","Bis(3-iodophenoxy)(phthalocyanine)silicon","","- C52 H42 N8 O2 Si -","- C52 H42 N8 O2 Si -","- C416 H336 N64 O16 Si8 -","8","0.5","","Lessard, Beno\?ît H.; Lough, Alan J.; Bender, Timothy P.","Crystal structures of bis(phenoxy)silicon phthalocyanines: increasing π‒π interactions, solubility and disorder and no halogen bonding observed","Acta Crystallographica Section E","2016","72","7","988","994","10.1107/S205698901600935X","","","1.54178","CuKα","","0.084","0.0662","","","0.1968","0.2084","","","","","","1.076","","","","has coordinates,has Fobs","183847","2020-10-21","18:00:00",""
"2241738","5.2704","0.0002","20.2885","0.0008","16.0314","0.0008","90","","94.21","0.002","90","","1709.59","0.13","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(7-diethylamino-3-formyl-2-oxo-2H-chromen-4-olato-κ^2^O^3^,O^4^)zinc(II) dimethyl sulfoxide disolvate","","- C32 H44 N2 O12 S2 Zn -","- C32 H44 N2 O12 S2 Zn -","- C64 H88 N4 O24 S4 Zn2 -","2","0.5","ZL2668","Davis, Aaron B.; Fronczek, Frank R.; Wallace, Karl J.","Crystal structure of diaquabis(7-diethylamino-3-formyl-2-oxo-2H-chromen-4-olato-κ^2^O^3^,O^4^)zinc(II) dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2016","72","7","1032","1036","10.1107/S2056989016009853","","","0.71073","MoKα","","0.0366","0.0285","","","0.0706","0.0739","","","","","","1.05","","","","has coordinates,has Fobs","183937","2020-10-21","18:00:00",""
"2241739","7.9948","0.0003","11.3928","0.0004","15.7757","0.0006","90","","98.52","0.002","90","","1421.04","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Amino-5-chloro-2,6-dimethylpyrimidinium thiophene-2,5-dicarboxylate","","- C12 H12 Cl N3 O4 S -","- C12 H12 Cl N3 O4 S -","- C48 H48 Cl4 N12 O16 S4 -","4","1","LH5814","Rajam, Ammaiyappan; Thomas Muthiah, Packianathan; Butcher, Ray J.; Zeller, Matthias","Crystal structure of 4-amino-5-chloro-2,6-dimethylpyrimidinium thiophene-2,5-dicarboxylate","Acta Crystallographica Section E","2016","72","7","1043","1046","10.1107/S2056989016010148","","","0.71073","MoKα","","0.081","0.0602","","","0.164","0.1851","","","","","","1.101","","","","has coordinates,has Fobs","183938","2020-10-21","18:00:00",""
"2241740","17.4072","0.0016","17.4072","0.0016","14.4881","0.001","90","","90","","90","","4390","0.6","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","N'-[(1E)-(5-Nitrofuran-2-yl)methylidene]thiophene-2-carbohydrazide","","- C10 H7 N3 O4 S -","- C10 H7 N3 O4 S -","- C160 H112 N48 O64 S16 -","16","1","HB7593","Cardoso, Laura N. F.; Nogueira, Thais C. M.; Wardell, James L.; Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Jotani, Mukesh M.; Tiekink, Edward R. T.","N'-[(1E)-(5-Nitrofuran-2-yl)methylidene]thiophene-2-carbohydrazide: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","7","1025","1031","10.1107/S2056989016009968","","","0.71073","MoKα","","0.0508","0.0449","","","0.1093","0.1134","","","","","","1.048","","","","has coordinates,has Fobs","183939","2020-10-21","18:00:00",""
"2241741","8.4039","0.0009","7.5206","0.0007","14.1667","0.0015","90","","90","","90","","895.37","0.16","300","2","300","2","","","","","","","","5","P n m a","-P 2ac 2n","62","C6H8N2ZnCl2","(Benzene-1,2-diamine-κ^2^N,N')dichloroidozinc","","- C6 H8 Cl2 N2 Zn -","- C6 H8 Cl2 N2 Zn -","- C24 H32 Cl8 N8 Zn4 -","4","0.5","LH5817","Zick, Patricia L.; Geiger, David K.","Structural characterization of two benzene-1,2-diamine complexes of zinc chloride: a molecular compound and a co-crystal salt","Acta Crystallographica Section E","2016","72","7","1037","1042","10.1107/S2056989016010033","","","0.71073","MoKa","","0.0229","0.0198","","","0.0493","0.0507","","","","","","1.091","","","","has coordinates,has Fobs","183940","2020-10-21","18:00:00",""
"2241742","18.529","0.002","12.6227","0.0016","7.8691","0.0008","90","","94.665","0.004","90","","1834.4","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PLZ03172016","trans-Diaquabis(4,5-dimethylbenzene-1,2-diamine-κ^2^N,N')zinc chloride‒4,5-dimethylbenzene-1,2-diamine (1/2)","","- C32 H52 Cl2 N8 O2 Zn -","- C32 H52 Cl2 N8 O2 Zn -","- C64 H104 Cl4 N16 O4 Zn2 -","2","0.5","LH5817","Zick, Patricia L.; Geiger, David K.","Structural characterization of two benzene-1,2-diamine complexes of zinc chloride: a molecular compound and a co-crystal salt","Acta Crystallographica Section E","2016","72","7","1037","1042","10.1107/S2056989016010033","","","0.71073","MoKa","","0.0435","0.0311","","","0.0739","0.0793","","","","","","1.052","","","","has coordinates,has Fobs","183940","2020-10-21","18:00:00",""
"2241743","8.4152","0.0012","7.5141","0.0009","14.199","0.002","90","","90","","90","","897.8","0.2","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","PLZ09092015LT","(Benzene-1,2-diamine-κ^2^N,N')dichloroidozinc","","- C6 H8 Cl2 N2 Zn -","- C6 H8 Cl2 N2 Zn -","- C24 H32 Cl8 N8 Zn4 -","4","0.5","LH5817","Zick, Patricia L.; Geiger, David K.","Structural characterization of two benzene-1,2-diamine complexes of zinc chloride: a molecular compound and a co-crystal salt","Acta Crystallographica Section E","2016","72","7","1037","1042","10.1107/S2056989016010033","","","0.71073","MoKα","","0.0291","0.0267","","","0.0724","0.0736","","","","","","1.156","","","","has coordinates,has Fobs","183940","2020-10-21","18:00:00",""
"2241744","10.6849","0.001","7.454","0.0007","13.3961","0.0012","90","","93.482","0.002","90","","1064.97","0.17","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis(4-methoxybenzylammonium) tetrachloridozincate","","- C16 H24 Cl4 N2 O2 Zn -","- C16 H24 Cl4 N2 O2 Zn -","- C32 H48 Cl8 N4 O4 Zn2 -","2","1","WM5302","Mahbouli Rhouma, Najla; Rayes, Ali; Mezzadri, Francesco; Calestani, Gianluca; Loukil, Mohamed","Crystal structure of non-centrosymmetric bis(4-methoxybenzylammonium) tetrachloridozincate","Acta Crystallographica Section E","2016","72","7","1050","1053","10.1107/S2056989016010069","","","0.71073","MoKα","","0.0487","0.0426","","","0.1033","0.1075","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","183941","2020-10-21","18:00:00",""
"2241745","18.9274","0.0005","8.2441","0.0002","14.8654","0.0004","90","","124.165","0.001","90","","1919.28","0.09","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(N,N,N',N'-tetramethylguanidinium) tetrachloridocuprate(II)","","- C10 H28 Cl4 Cu N6 -","- C10 H28 Cl4 Cu N6 -","- C40 H112 Cl16 Cu4 N24 -","4","0.5","WM5303","Ndiaye, Mamadou; Samb, Abdoulaye; Diop, Libasse; Maris, Thierry","Crystal structure of bis(N,N,N',N'-tetramethylguanidinium) tetrachloridocuprate(II)","Acta Crystallographica Section E","2016","72","7","1047","1049","10.1107/S2056989016010161","","","1.34139","GaKα","","0.0288","0.0284","","","0.0709","0.0711","","","","","","1.107","","","","has coordinates,has Fobs","183942","2020-10-21","18:00:00",""
"2241746","11.7258","0.0002","12.7819","0.0002","6.8264","0.0001","90","","111.069","0.001","90","","954.73","0.03","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disodium di(cobalt/iron) cobalt tris(orthovanadate)","","- Co2 Fe Na2 O12 V3 -","- Co2 Fe Na2 O12 V3 -","- Co8 Fe4 Na8 O48 V12 -","4","0.5","WM5292","Hadouchi, Mohammed; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","The alluaudite-type crystal structures of Na~2~(Fe/Co)~2~Co(VO~4~)~3~ and Ag~2~(Fe/Co)~2~Co(VO~4~)~3~","Acta Crystallographica Section E","2016","72","7","1017","1020","10.1107/S2056989016009981","","","0.71073","MoKα","","0.0254","0.0217","","","0.0522","0.0537","","","","","","1.095","","","","has coordinates,has Fobs","183943","2020-10-21","18:00:00",""
"2241747","11.7846","0.0004","12.8314","0.0004","6.8064","0.0002","90","","111.001","0.001","90","","960.85","0.05","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disilver di(cobalt/iron) cobalt tris(orthovanadate)","","- Ag1.97 Co1.98 Fe1.02 O12 V3 -","- Ag1.97 Co1.975 Fe1.025 O12 V3 -","- Ag7.88 Co7.9 Fe4.1 O48 V12 -","4","0.5","WM5292","Hadouchi, Mohammed; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","The alluaudite-type crystal structures of Na~2~(Fe/Co)~2~Co(VO~4~)~3~ and Ag~2~(Fe/Co)~2~Co(VO~4~)~3~","Acta Crystallographica Section E","2016","72","7","1017","1020","10.1107/S2056989016009981","","","0.71073","MoKα","","0.0196","0.0179","","","0.0405","0.0412","","","","","","1.136","","","","has coordinates,has Fobs","183943","2020-10-21","18:00:00",""
"2241748","10.4408","0.0006","6.2129","0.0005","10.5052","0.0005","90","","90","","90","","681.45","0.07","140","2","140","1","","","","","","","","4","P n a 21","P 2c -2n","33","","4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane","","- C5 H9 O3 P -","- C5 H9 O3 P -","- C20 H36 O12 P4 -","4","1","LH5816","Said, Musa A.; Al Belewi, Bayan L.; Hughes, David L.","Crystal structure of 4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane","Acta Crystallographica Section E","2016","72","7","1021","1024","10.1107/S2056989016009993","","","0.71073","Mo-Kα","","0.0393","0.0333","","","0.0809","0.0844","","","","","","1.106","","","","has coordinates,has Fobs","183944","2020-10-21","18:00:00",""
"2241749","14.691","0.002","14.691","0.002","20.075","0.004","90","","90","","90","","4332.7","1.2","100","2","100","","","","","","","","","5","I 41/a","-I 4ad","88","","Bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate(II)","","- C12 H22 Br4 Cd N4 -","- C12 H22 Br4 Cd N4 -","- C96 H176 Br32 Cd8 N32 -","8","","WM5286","Dordević, Tamara; Gerger, Sabrina; Karanović, Ljiljana","Crystal structure of the tetragonal polymorph of bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate","Acta Crystallographica Section E","2016","72","7","1013","1016","10.1107/S2056989016009919","","","0.71073","MoKα","","0.0687","0.037","","","0.067","0.0742","","","","","","0.963","","","","has coordinates,has Fobs","183945","2020-10-21","18:00:00",""
"2241750","7.8463","0.0005","16.2514","0.0009","10.2032","0.0006","90","","108.839","0.002","90","","1231.35","0.13","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[3-(3-Nitrophenyl)oxiran-2-yl](phenyl)methanone","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","ZL2667","Greenberg, Fred H.; Nazarenko, Alexander Y.","Two polymorphs of trans-[3-(3-nitrophenyl)oxiran-2-yl](phenyl)methanone","Acta Crystallographica Section E","2016","72","7","1054","1059","10.1107/S2056989016010239","","","0.71073","MoKα","","0.0558","0.0439","","","0.1163","0.1245","","","","","","1.063","","","","has coordinates,has Fobs","184034","2020-10-21","18:00:00",""
"2241751","4.1615","0.0002","14.7498","0.0006","20.3168","0.0008","90","","90","","90","","1247.07","0.09","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-benzoyl-2-(m-nitrophenyl)ethylene oxide","[3-(3-Nitrophenyl)oxiran-2-yl](phenyl)methanone","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","","Greenberg, Fred H.; Nazarenko, Alexander Y.","Two polymorphs of trans-[3-(3-nitrophenyl)oxiran-2-yl](phenyl)methanone","Acta Crystallographica Section E","2016","72","7","1054","1059","10.1107/S2056989016010239","","","1.54178","CuKα","","0.0338","0.029","","","0.0685","0.0708","","","","","","1.055","","","","has coordinates,has Fobs","184034","2020-10-21","18:00:00",""
"2241752","5.6788","0.0003","5.6788","0.0003","18.3368","0.0014","90","","90","","120","","512.11","0.05","295","2","295","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Trimagnesium beryllium octaaluminium hexadecaoxide","","- Al7.92 Be Cr0.15 Mg2.92 O16 -","- Al7.9235 Be Cr0.1525 Mg2.924 O16 -","- Al15.847 Be2 Cr0.305 Mg5.848 O32 -","2","0.166667","WM5296","Malcherek, Thomas; Schlüter, Jochen","Crystal structure of Cr-bearing Mg~3~BeAl~8~O~16~, a new polytype of magnesiotaaffeite-2N'2S","Acta Crystallographica Section E","2016","72","7","1060","1063","10.1107/S2056989016010215","","","0.71069","MoKα","","0.0186","0.018","","","0.04","0.0404","","","","","","0.834","","","","has coordinates,has Fobs","184035","2020-10-21","18:00:00",""
"2241753","13.601","0.004","13.304","0.005","8.978","0.009","90","","100.76","0.05","90","","1596","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Rubidium zinc Iron(III) phosphate","","- Fe O8 P2 Rb Zn -","- Fe O8 P2 Rb Zn -","- Fe8 O64 P16 Rb8 Zn8 -","8","1","BR2261","Badri, Abdessalem; Ben Amara, Mongi","RbZnFe(PO~4~)~2~: synthesis and crystal structure","Acta Crystallographica Section E","2016","72","8","1074","1076","10.1107/S205698901601046X","","","0.71073","MoKα","","0.0463","0.0358","","","0.1005","0.11","","","","","","1.049","","","","has coordinates,has Fobs","184287","2020-10-21","18:00:00",""
"2241754","9.0078","0.0004","17.4732","0.0007","15.5641","0.0007","90","","97.595","0.004","90","","2428.22","0.18","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[(Z)-N-(3-Chlorophenyl)-O-methylthiocarbamato-κS](triphenylphosphane-κP)gold(I)","","- C26 H22 Au Cl N O P S -","- C26 H22 Au Cl N O P S -","- C104 H88 Au4 Cl4 N4 O4 P4 S4 -","4","1","HB7598","Yeo, Chien Ing; Tan, Sang Loon; Tiekink, Edward R. T.","A monoclinic polymorph of [(Z)-N-(3-chlorophenyl)-O-methylthiocarbamato-κS](triphenylphosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","8","1068","1073","10.1107/S2056989016010781","","","0.71073","MoKα","","0.0575","0.0399","","","0.079","0.0895","","","","","","1.052","","","","has coordinates,has Fobs","184288","2020-10-21","18:00:00",""
"2241755","10.264","0.0005","9.648","0.0005","12.048","0.0005","90","","96.204","0.005","90","","1186.09","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,2S,2'R,3a'S,5R)-2'-[(5-Bromo-1H-indol-3-yl)methyl]-2-isopropyl-5,5'-dimethyldihydro-2'H-spiro[cyclohexane-1,6'-imidazo[1,5-b]isoxazol]-4'(5'H)-one","","- C24 H32 Br N3 O2 -","- C24 H32 Br N3 O2 -","- C48 H64 Br2 N6 O4 -","2","1","ZS2365","Ghannay, Siwar; Brahmi, Jihed; Nasri, Soumaya; Aouadi, Kaïss; Jeanneau, Erwann; Msaddek, Moncef","Crystal structure of (1S,2S,2'R,3a'S,5R)-2'-[(5-bromo-1H-indol-3-yl)methyl]-2-isopropyl-5,5'-dimethyldihydro-2'H-spiro[cyclohexane-1,6'-imidazo[1,5-b]isoxazol]-4'(5'H)-one","Acta Crystallographica Section E","2016","72","8","1081","1084","10.1107/S2056989016010872","","","0.71073","MoKα","","0.0892","0.0529","","","0.1195","0.1351","","","","","","0.97","","","","has coordinates,has Fobs","184414","2020-10-21","18:00:00",""
"2241756","11.953","0.002","14.516","0.003","24.546","0.005","90","","101.024","0.004","90","","4180.4","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-4H-1,3-benzothiazin-4-one toluene hemisolvate","","- C49 H36 F6 N2 O2 S2 -","- C49 H36 F6 N2 O2 S2 -","- C196 H144 F24 N8 O8 S8 -","4","1","","Yennawar, Hemant P.; Coyle, David J.; Noble, Duncan J.; Yang, Ziwei; Silverberg, Lee J.","Crystal structures of three substituted 3-aryl-2-phenyl-2,3-dihydro-4H-1,3-benzothiazin-4-ones","Acta Crystallographica Section E","2016","72","8","1108","1112","10.1107/S2056989016011002","","","0.71073","MoKα","","0.1583","0.1327","","","0.2282","0.2396","","","","","","1.31","","","","has coordinates,has disorder","184415","2020-10-21","18:00:00",""
"2241757","15.736","0.002","9.353","0.0015","27.259","0.004","90","","99.56","0.003","90","","3956.2","1","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-(3-Bromophenyl)-2-phenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one toluene hemisolvate","","- C47 H36 Br2 N2 O2 S2 -","- C47 H36 Br2 N2 O2 S2 -","- C188 H144 Br8 N8 O8 S8 -","4","0.5","","Yennawar, Hemant P.; Coyle, David J.; Noble, Duncan J.; Yang, Ziwei; Silverberg, Lee J.","Crystal structures of three substituted 3-aryl-2-phenyl-2,3-dihydro-4H-1,3-benzothiazin-4-ones","Acta Crystallographica Section E","2016","72","8","1108","1112","10.1107/S2056989016011002","","","0.71073","MoKα","","0.114","0.0489","","","0.1291","0.1526","","","","","","0.786","","","","has coordinates,has disorder","184415","2020-10-21","18:00:00",""
"2241758","17.82","0.004","11.016","0.003","17.89","0.004","90","","98.385","0.005","90","","3474.4","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(4-Methoxyphenyl)-2-phenyl-4H-1,3-benzothiazin-4-one","","- C21 H17 N O2 S -","- C21 H17 N O2 S -","- C168 H136 N8 O16 S8 -","8","1","","Yennawar, Hemant P.; Coyle, David J.; Noble, Duncan J.; Yang, Ziwei; Silverberg, Lee J.","Crystal structures of three substituted 3-aryl-2-phenyl-2,3-dihydro-4H-1,3-benzothiazin-4-ones","Acta Crystallographica Section E","2016","72","8","1108","1112","10.1107/S2056989016011002","","","0.71073","MoKα","","0.0572","0.0452","","","0.1173","0.1254","","","","","","1.045","","","","has coordinates","184415","2020-10-21","18:00:00",""
"2241759","12.5318","0.0009","13.8181","0.0009","7.1159","0.0007","90","","111.95","0.02","90","","1142.9","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetrasodium copper(II) tris[molybdate(VI)]","","- Cu Mo3 Na4 O12 -","- Cu Mo3 Na4 O12 -","- Cu4 Mo12 Na16 O48 -","4","0.5","PJ2032","Dridi, Wassim; Zid, Mohamed Faouzi","Synthesis, crystal structure and charge-distribution validation of β-Na~4~Cu(MoO~4~)~3~ adopting the alluadite structure-type","Acta Crystallographica Section E","2016","72","8","1103","1107","10.1107/S2056989016010367","","","0.71073","MoKα","","0.0242","0.0229","","","0.0573","0.0579","","","","","","1.174","","","","has coordinates,has Fobs","184416","2020-10-21","18:00:00",""
"2241760","26.7161","0.001","16.6111","0.0006","24.9673","0.0008","90","","103.538","0.001","90","","10772.2","0.7","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(TTP)(2-MeHim)2]ClO4","Bis(2-methyl-1H-imidazole-κN^3^)(meso-tetra-p-tolyl)porphyrinato-κ^4^N)iron(III) perchlorate tetrahydrofuran sesquisolvate","","- C62 H60 Cl Fe N8 O5.5 -","- C62 H60 Cl Fe N8 O5.5 -","- C496 H480 Cl8 Fe8 N64 O44 -","8","1","RZ5191","Sun, Wenyan; Li, Jianfeng","Crystal structure of bis(2-methyl-1H-imidazole-κN^3^)(meso-tetra-p-tolylporphyrinato-κ^4^N)iron(III) perchlorate tetrahydrofuran sesquisolvate","Acta Crystallographica Section E","2016","72","8","1116","1120","10.1107/S2056989016010562","","","0.71073","MoKα","","0.0641","0.0476","","","0.1201","0.1325","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","184417","2020-10-21","18:00:00",""
"2241761","6.7139","0.0007","9.5116","0.0007","15.2115","0.0013","90","","101.151","0.006","90","","953.07","0.15","115","2","115","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methyl-1H-imidazol-3-ium hydrogen oxalate dihydrate","","- C6 H12 N2 O6 -","- C6 H12 N2 O6 -","- C24 H48 N8 O24 -","4","1","HB7595","Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène","Crystal structure of 2-methyl-1H-imidazol-3-ium hydrogen oxalate dihydrate","Acta Crystallographica Section E","2016","72","8","1113","1115","10.1107/S2056989016011038","","","0.71073","MoKα","","0.1013","0.0428","","","0.0904","0.1151","","","","","","1.013","","","","has coordinates,has Fobs","184418","2020-10-21","18:00:00",""
"2241762","7.799","0.003","7.014","0.003","27.64","0.018","90","","90.18","0.06","90","","1512","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","1","","Gomes, Lígia R.; Low, John Nicolson; Fonseca, André; Matos, Maria João; Borges, Fernanda","6-Methyl-2-oxo-N-(quinolin-6-yl)-2H-chromene-3-carboxamide: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","8","1121","1125","10.1107/S2056989016011026","","","0.68891","synchrotron'","","0.06","0.0508","","","0.1489","0.1561","","","","","","1.131","","","","has coordinates","184419","2020-10-21","18:00:00",""
"2241763","11.9423","0.0007","12.1314","0.001","12.8974","0.001","90","","107.032","0.004","90","","1786.6","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis{(E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}copper(II)","","- C32 H16 Br6 Cu N4 O2 -","- C32 H16 Br6 Cu N4 O2 -","- C64 H32 Br12 Cu2 N8 O4 -","2","1","SU5299","Chetioui, Souheyla; Rouag, Djamil-Azzeddine; Djukic, Jean-Pierre; Bochet, Christian G.; Touzani, Rachid; Bailly, Corinne; Crochet, Aurélien; Fromm, Katharina M.","Crystal structures of a copper(II) and the isotypic nickel(II) and palladium(II) complexes of the ligand (E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-ol","Acta Crystallographica Section E","2016","72","8","1093","1098","10.1107/S205698901601080X","","","0.71073","MoKα","","0.115","0.0643","","","0.1255","0.1398","","","","","","0.957","","","","has coordinates,has Fobs","184420","2020-10-21","18:00:00",""
"2241764","11.0909","0.0006","12.4571","0.0006","12.5382","0.0007","90","","107.82","0.002","90","","1649.17","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{(E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}nickel(II)","","- C32 H16 Br6 N4 Ni O2 -","- C32 H16 Br6 N4 Ni O2 -","- C64 H32 Br12 N8 Ni2 O4 -","2","0.5","SU5299","Chetioui, Souheyla; Rouag, Djamil-Azzeddine; Djukic, Jean-Pierre; Bochet, Christian G.; Touzani, Rachid; Bailly, Corinne; Crochet, Aurélien; Fromm, Katharina M.","Crystal structures of a copper(II) and the isotypic nickel(II) and palladium(II) complexes of the ligand (E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-ol","Acta Crystallographica Section E","2016","72","8","1093","1098","10.1107/S205698901601080X","","","0.71073","MoKα","","0.0982","0.0431","","","0.0797","0.0957","","","","","","0.953","","","","has coordinates,has Fobs","184420","2020-10-21","18:00:00",""
"2241765","11.1896","0.0008","12.454","0.0008","12.5511","0.0009","90","","107.749","0.005","90","","1665.8","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{(E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}palladium(II)","","- C32 H16 Br6 N4 O2 Pd -","- C32 H16 Br6 N4 O2 Pd -","- C64 H32 Br12 N8 O4 Pd2 -","2","0.5","SU5299","Chetioui, Souheyla; Rouag, Djamil-Azzeddine; Djukic, Jean-Pierre; Bochet, Christian G.; Touzani, Rachid; Bailly, Corinne; Crochet, Aurélien; Fromm, Katharina M.","Crystal structures of a copper(II) and the isotypic nickel(II) and palladium(II) complexes of the ligand (E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-ol","Acta Crystallographica Section E","2016","72","8","1093","1098","10.1107/S205698901601080X","","","1.54186","CuKα","","0.0681","0.0572","","","0.155","0.1698","","","","","","1.105","","","","has coordinates,has Fobs","184420","2020-10-21","18:00:00",""
"2241766","16.884","0.002","14.4021","0.0015","17.327","0.002","90","","109.112","0.003","90","","3981.1","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[μ~2~-trans-1,2-Bis(pyridin-4-yl)ethene-κ^2^N:N']bis{[1,2-bis(pyridin-4-yl)ethene-κN]bis[N-(2-hydroxyethyl)-N-N-isopropyldithiocarbamato-κ^2^S,S']cadmium} acetonitrile tetrasolvate:","","- C68 H90 Cd2 N14 O4 S8 -","- C68 H90 Cd2 N14 O4 S8 -","- C136 H180 Cd4 N28 O8 S16 -","2","0.5","HB7594","Jotani, Mukesh M.; Poplaukhin, Pavel; Arman, Hadi D.; Tiekink, Edward R. T.","[μ~2~-trans-1,2-Bis(pyridin-4-yl)ethene-κ^2^N:N']bis{[1,2-bis(pyridin-4-yl)ethene-κN]bis[N-(2-hydroxyethyl)-N-isopropyldithiocarbamato-κ^2^S,S']cadmium} acetonitrile tetrasolvate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","8","1085","1092","10.1107/S2056989016010768","","","0.71073","MoKα","","0.0497","0.0467","","","0.1129","0.1152","","","","","","1.129","","","","has coordinates,has Fobs","184421","2020-10-21","18:00:00",""
"2241767","22.5212","0.0007","10.1879","0.0004","17.3592","0.0005","90","","105.801","0.003","90","","3832.5","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Benzoylamino-N'-(4-hydroxybenzylidene)-3-(thiophen-2-yl)prop-2-enohydrazide","","- C21 H17 N3 O3 S -","- C21 H17 N3 O3 S -","- C168 H136 N24 O24 S8 -","8","1","HB7597","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Rathore, Ravindranath S.; Glidewell, Christopher","Crystal structure of 2-benzoylamino-N'-(4-hydroxybenzylidene)-3-(thiophen-2-yl)prop-2-enohydrazide","Acta Crystallographica Section E","2016","72","8","1099","1102","10.1107/S2056989016010975","","","0.71073","MoKα","","0.0588","0.0426","","","0.1029","0.1134","","","","","","1.04","","","","has coordinates,has Fobs","184422","2020-10-21","18:00:00",""
"2241768","6.8925","0.0004","7.6352","0.0004","8.0605","0.0006","95.063","0.005","105.135","0.006","107.647","0.005","383.69","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","6,7-Dihydroxy-6,7-dihydro-3H-imidazo[1,2-a]\ purin-9(5H)-one","","- C7 H7 N5 O3 -","- C7 H7 N5 O3 -","- C14 H14 N10 O6 -","2","1","XU5887","Guo, Wei; Li, Cheng-Xun; Lv, Jie; Wang, Jing","Crystal structure of 6,7-dihydroxy-6,7-dihydro-3H-imidazo[1,2-a]purin-9(5H)-one","Acta Crystallographica Section E","2016","72","8","1147","1149","10.1107/S2056989016009087","","","1.54178","CuKα","","0.0618","0.0574","","","0.1693","0.1804","","","","","","1.003","","","","has coordinates,has Fobs","184526","2020-10-21","18:00:00",""
"2241769","14.7179","0.0007","7.5783","0.0004","11.5451","0.0005","90","","102.999","0.004","90","","1254.7","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2E)-1-(5-Chlorothiophen-2-yl)-3-(2-methylphenyl)prop-2-en-1-one","","- C14 H11 Cl O S -","- C14 H11 Cl O S -","- C56 H44 Cl4 O4 S4 -","4","1","SU5313","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher","The crystal structures of two chalcones: (2E)-1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)prop-2-en-1-one and (2E)-1-(anthracen-9-yl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2016","72","8","1153","1158","10.1107/S2056989016011592","","","0.71073","MoKα","","0.0615","0.0395","","","0.0815","0.0942","","","","","","1.035","","","","has coordinates,has Fobs","184527","2020-10-21","18:00:00",""
"2241770","9.015","0.0004","14.0601","0.0006","16.2611","0.0008","105.146","0.004","95.967","0.004","98.057","0.004","1948.46","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(2E)-1-(Anthracen-9-yl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one","","- C26 H22 O -","- C26 H22 O -","- C104 H88 O4 -","4","2","SU5313","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher","The crystal structures of two chalcones: (2E)-1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)prop-2-en-1-one and (2E)-1-(anthracen-9-yl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2016","72","8","1153","1158","10.1107/S2056989016011592","","","1.54184","CuKα","","0.0726","0.0501","","","0.1286","0.1425","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","184527","2020-10-21","18:00:00",""
"2241771","7.256","0.0015","20.654","0.004","7.016","0.0014","90","","94.63","0.03","90","","1048","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Yttrium copper (II) tellurite (IV) nitrate trihydrate","Yttrium(III) copper(II) bis[trioxidotellurate(IV)] nitrate trihydrate","","- Cu H6 N O12 Te2 Y -","- Cu H6 N O12 Te2 Y -","- Cu4 H24 N4 O48 Te8 Y4 -","4","1","WM5307","Mills, Stuart J.; Dunstan, Maja A.; Christy, Andrew G.","YCu(TeO~3~)~2~(NO~3~)(H~2~O)~3~: a novel layered tellurite","Acta Crystallographica Section E","2016","72","8","1138","1142","10.1107/S2056989016011464","","","0.71073","synchrotron","","0.0338","0.0329","","","0.0733","0.0737","","","","","","1.14","","","","has coordinates,has Fobs","184528","2020-10-21","18:00:00",""
"2241772","7.7474","0.0006","11.1404","0.0008","19.208","0.002","90","","90","","90","","1657.8","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C68 H112 N8 O12 -","4","1","ZS2363","Abda, Heithem; Ezzayani, Khaireddine; Aouadi, Kaiss; Guerfel, Taha; Vidal, Sebastien; Msaddek, Moncef","Crystal structure of 2-isopropyl-5,7'-dimethyl-1',3',3a',6',8a',8b'-hexahydrospiro[cyclohexane-1,6'-furo[3,4-d]imidazo[1,5-b]isoxazol]-8'(7'H)-one","Acta Crystallographica Section E","2016","72","8","1150","1152","10.1107/S2056989016010641","","","1.5418","CuKα","","0.046","0.0423","","0.0957","0.0887","0.0957","","","","","","1.0287","","","","has coordinates,has Fobs","184529","2020-10-21","18:00:00",""
"2241773","10.4097","0.0002","13.2714","0.0003","6.5481","0.0002","90","","90","","90","","904.63","0.04","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","Strontium dicobalt iron(III) tris(orthophosphate)","","- Co2 Fe O12 P3 Sr -","- Co2 Fe O12 P3 Sr -","- Co8 Fe4 O48 P12 Sr4 -","4","0.25","PK2584","Bouraima, Adam; Makani, Thomas; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of strontium dicobalt iron(III) tris(orthophosphate): SrCo~2~Fe(PO~4~)~3~","Acta Crystallographica Section E","2016","72","8","1143","1146","10.1107/S2056989016011373","","","0.71073","MoKα","","0.0184","0.0171","","","0.0452","0.0457","","","","","","1.155","","","","has coordinates,has Fobs","184530","2020-10-21","18:00:00",""
"2241774","18.3808","0.0014","8.2809","0.0004","19.083","0.003","90","","118.071","0.008","90","","2562.9","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[N,N-bis(2-methoxyethyl)dithiocarbamato-κ^2^S,S']diphenyltin(IV)","","- C22 H30 N2 O2 S4 Sn -","- C22 H30 N2 O2 S4 Sn -","- C88 H120 N8 O8 S16 Sn4 -","4","0.5","HB7599","Mohamad, Rapidah; Awang, Normah; Jotani, Mukesh M.; Tiekink, Edward R. T.","Distinct coordination geometries in bis[N,N-bis(2-methoxyethyl)dithiocarbamato-κ^2^S,S']diphenyltin(IV) and bis[N-(2-methoxyethyl)-N-methyldithiocarbamato-κ^2^S,S']diphenyltin(IV): crystal structures and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","8","1130","1137","10.1107/S2056989016011385","","","0.71073","MoKα","","0.0304","0.0256","","","0.0604","0.0628","","","","","","1.065","","","","has coordinates,has Fobs","184531","2020-10-21","18:00:00",""
"2241775","7.4386","0.0004","14.3334","0.0008","16.5398","0.001","110.32","0.005","91.282","0.005","101.865","0.004","1609.93","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[N-(2-methoxyethyl)-N-methyldithiocarbamato-κ^2^S,S']diphenyltin(IV)","","- C26 H38 N2 O4 S4 Sn -","- C26 H38 N2 O4 S4 Sn -","- C52 H76 N4 O8 S8 Sn2 -","2","1","HB7599","Mohamad, Rapidah; Awang, Normah; Jotani, Mukesh M.; Tiekink, Edward R. T.","Distinct coordination geometries in bis[N,N-bis(2-methoxyethyl)dithiocarbamato-κ^2^S,S']diphenyltin(IV) and bis[N-(2-methoxyethyl)-N-methyldithiocarbamato-κ^2^S,S']diphenyltin(IV): crystal structures and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","8","1130","1137","10.1107/S2056989016011385","","","0.71073","MoKα","","0.0418","0.0312","","","0.0696","0.0782","","","","","","1.058","","","","has coordinates,has Fobs","184531","2020-10-21","18:00:00",""
"2241776","11.782","0.005","16.741","0.005","14.147","0.005","90","","98.013","0.005","90","","2763.1","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6'-Ferrocenyl-6a'-nitro-6',6a',6b',7',9',11a'-hexahydro-2H-\ spiro[acenaphthylene-1,11'-chromeno[3',4':3,4]pyrrolo[1,2-c]thiazol]-\ 2-one","","- C34 H26 Fe N2 O4 S -","- C34 H26 Fe N2 O4 S -","- C136 H104 Fe4 N8 O16 S4 -","4","1","BG2588","Viswanathan, Vijayan; Rao, Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","Crystal structures of two substituted thiazolidine derivatives","Acta Crystallographica Section E","2016","72","8","1126","1129","10.1107/S2056989016011336","","","0.71073","MoKα","","0.0511","0.0348","","","0.0886","0.0968","","","","","","1.032","","","","has coordinates,has Fobs","184532","2020-10-21","18:00:00",""
"2241777","11.1123","0.0005","11.6373","0.0002","12.4095","0.0003","117.812","0.001","110.812","0.001","95.468","0.001","1258.89","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6'-(4-Methoxyphenyl)-6a'-nitro-6',6a',6b',7',9',11a'-hexahydro-2H-spiro[acenaphthylene-1,11'-chromeno[3',4':3,4]pyrrolo[1,2-c]thiazol]-2-one","","- C31 H24 N2 O5 S -","- C31 H24 N2 O5 S -","- C62 H48 N4 O10 S2 -","2","1","BG2588","Viswanathan, Vijayan; Rao, Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","Crystal structures of two substituted thiazolidine derivatives","Acta Crystallographica Section E","2016","72","8","1126","1129","10.1107/S2056989016011336","","","0.71073","MoKα","","0.0478","0.0373","","","0.0973","0.1047","","","","","","1.043","","","","has coordinates,has Fobs","184532","2020-10-21","18:00:00",""
"2241778","3.8486","0.0008","14.676","0.002","16.866","0.003","90","","92.12","0.02","90","","952","0.3","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bergapten","4-Methoxy-7H-furo[3,2-g]chromen-7-one","","- C12 H8 O4 -","- C12 H8 O4 -","- C48 H32 O16 -","4","1","","Bauri, A. K.; Foro, Sabine; Nhu Do, Quynh Nguyen","Crystal structure of bergapten: a photomutagenic and photobiologically active furanocoumarin","Acta Crystallographica Section E","2016","72","8","1194","1196","10.1107/S2056989016011221","","","0.71073","MoKα","","0.1088","0.0546","","","0.1223","0.1377","","","","","","0.855","","","","has coordinates,has Fobs","184618","2020-10-21","18:00:00",""
"2241779","14.6207","0.0004","8.016","0.0003","22.2892","0.0005","90","","101.725","0.003","90","","2557.78","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[aquabis(4-cyanobenzoato-κO)copper(II)]-μ-N,N-diethylnicotinamide-κ^2^N^1^:O]","","- C26 H24 Cu N4 O6 -","- C26 H24 Cu N4 O6 -","- C104 H96 Cu4 N16 O24 -","4","1","GK2662","Akduran, Nurcan; Necefoğlu, Hacali; Aydoğdu, Ömer; Hökelek, Tuncer","Crystal structure of catena-poly[[aquabis(4-cyanobenzoato-κO)copper(II)]-μ-N,N-diethylnicotinamide-κ^2^N^1^:O]","Acta Crystallographica Section E","2016","72","8","1183","1186","10.1107/S205698901601183X","","","0.71073","MoKα","","0.0658","0.0423","","","0.0943","0.1027","","","","","","1.046","","","","has coordinates,has Fobs","184619","2020-10-21","18:00:00",""
"2241780","7.2326","0.0001","14.3442","0.0002","14.094","0.0003","90","","90","","90","","1462.19","0.04","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide monohydrate","","- C12 H14 N6 O4 S -","- C12 H14 N6 O4 S -","- C48 H56 N24 O16 S4 -","4","1","SU5311","Subasri, S.; Timiri, Ajay Kumar; Barji, Nayan Sinha; Venkatesh, Jayaprakash; Vijayan, Viswanathan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide monohydrate and N-(2-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","Acta Crystallographica Section E","2016","72","8","1171","1175","10.1107/S2056989016011658","","","0.71073","MoKα","","0.0304","0.0271","","","0.0671","0.0693","","","","","","1.039","","","","has coordinates,has Fobs","184620","2020-10-21","18:00:00",""
"2241781","7.2528","0.0002","7.6249","0.0003","13.0649","0.0004","91.41","0.002","105.924","0.002","94.647","0.002","691.68","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N-(2-Chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","","- C12 H12 Cl N5 O S -","- C12 H12 Cl N5 O S -","- C24 H24 Cl2 N10 O2 S2 -","2","1","SU5311","Subasri, S.; Timiri, Ajay Kumar; Barji, Nayan Sinha; Venkatesh, Jayaprakash; Vijayan, Viswanathan; Velmurugan, Devadasan","Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide monohydrate and N-(2-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","Acta Crystallographica Section E","2016","72","8","1171","1175","10.1107/S2056989016011658","","","0.71073","MoKα","","0.0392","0.0354","","","0.0957","0.0994","","","","","","1.037","","","","has coordinates,has Fobs","184620","2020-10-21","18:00:00",""
"2241782","15.5186","0.0007","5.1007","0.0002","10.925","0.0005","90","","107.651","0.005","90","","824.06","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Glycidamide","Oxirane-2-carboxamide","","- C3 H5 N O2 -","- C3 H5 N O2 -","- C24 H40 N8 O16 -","8","2","","Hemgesberg, Melanie N.; Bonck, Thorsten; Merz, Karl-Heinz; Sun, Yu; Schrenk, Dieter","Crystal structure of glycidamide: the mutagenic and genotoxic metabolite of acrylamide","Acta Crystallographica Section E","2016","72","8","1179","1182","10.1107/S2056989016010859","","","1.54184","CuKα","","0.0374","0.035","","","0.0909","0.0932","","","","","","1.104","","","","has coordinates,has Fobs","184621","2020-10-21","18:00:00",""
"2241783","12.3075","0.0004","13.9332","0.0007","18.6716","0.0009","90","","90","","90","","3201.9","0.2","180","2","180","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","(1S,3R,8R,9R)-2,2-Dichloro-3,7,7-trimethyl-10-methylenetricyclo[6.4.0.0^1,3^]dodecan-9-ol","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C128 H192 Cl16 O8 -","8","2","PK2583","Benzalim, Ahmed; Auhmani, Aziz; Bimoussa, Abdoullah; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed","Crystal structure of (1S,3R,8R,9R)-2,2-dichloro-3,7,7-trimethyl-10-methylenetricyclo[6.4.0.0^1,3^]dodecan-9-ol","Acta Crystallographica Section E","2016","72","8","1163","1166","10.1107/S2056989016011166","","","0.71073","MoKα","","0.0592","0.0467","","","0.112","0.1211","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","184622","2020-10-21","18:00:00",""
"2241784","8.0205","0.0003","7.8434","0.0003","21.3454","0.0009","90","","92.565","0.002","90","","1341.45","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^N^2^,N^3^]bis(thiocyanato-κS)copper(II)","","- C26 H16 Cu N10 S4 -","- C26 H16 Cu N10 S4 -","- C52 H32 Cu2 N20 S8 -","2","0.5","RZ5192","Laachir, Abdelhakim; Bentiss, Fouad; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^2^N^2^,N^3^]bis(thiocyanato-κS)copper(II)","Acta Crystallographica Section E","2016","72","8","1176","1178","10.1107/S2056989016011713","","","0.71073","MoKα","","0.0541","0.0359","","","0.0871","0.0972","","","","","","1.042","","","","has coordinates,has Fobs","184623","2020-10-21","18:00:00",""
"2241785","7.6878","0.0004","9.2782","0.0005","10.8111","0.0006","106.162","0.002","100.887","0.002","110.009","0.002","660.57","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","4,4-Dibromo-1-(3,4-dimethoxyphenyl)-2-azabuta-1,3-diene-1-carbonitrile","","- C12 H10 Br2 N2 O2 -","- C12 H10 Br2 N2 O2 -","- C24 H20 Br4 N4 O4 -","2","1","PK2582","Chaabene, Marwa; Khatyr, Abderrahim; Knorr, Michael; Askri, Moheddine; Rousselin, Yoann; Kubicki, Marek M.","Crystal structure of 4,4-dibromo-1-(3,4-dimethoxyphenyl)-2-azabuta-1,3-diene-1-carbonitrile","Acta Crystallographica Section E","2016","72","8","1167","1170","10.1107/S2056989016011075","","","0.71073","MoKα","","0.0432","0.0272","","","0.0607","0.067","","","","","","1.034","","","","has coordinates,has Fobs","184624","2020-10-21","18:00:00",""
"2241786","7.5731","0.0009","22.1795","0.0016","8.3093","0.0016","90","","117.967","0.01","90","","1232.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,4-Dichloro-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline","","- C11 H6 Cl2 N2 O2 S -","- C11 H6 Cl2 N2 O2 S -","- C44 H24 Cl8 N8 O8 S4 -","4","1","PK2586","Köysal, Yavuz; Bülbül, Hakan; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan","Crystal structure and computational study of 2,4-dichloro-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2016","72","8","1187","1189","10.1107/S2056989016011816","","","0.71073","MoKα","","0.1298","0.0632","","","0.0938","0.1383","","","","","","1.09","","","","has coordinates,has Fobs","184625","2020-10-21","18:00:00",""
"2241787","14.241","0.002","8.7129","0.0014","16.393","0.003","90","","102.56","0.002","90","","1985.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(1-hexyl-N,N-dimethylpyridinium) bis(maleonitriledithiolato)nickelate(II)","","","- C34 H46 N8 Ni S4 -","- C34 H46 N8 Ni S4 -","- C68 H92 N16 Ni2 S8 -","2","0.5","ZS2364","Yu, Shan-Shan; Zhang, Hui","Crystal structure of bis(1-hexyl-N,N-dimethylpyridinium) bis(maleonitriledithiolato)nickelate(II)","Acta Crystallographica Section E","2016","72","8","1197","1200","10.1107/S2056989016011191","","","0.71073","MoKα","","0.0829","0.0467","","","0.1147","0.1423","","","","","","0.996","","","","has coordinates,has Fobs","184676","2020-10-21","18:00:00",""
"2241788","6.9661","0.0006","8.0082","0.0006","16.9007","0.0013","78.907","0.002","79.128","0.002","88.886","0.002","908.46","0.13","100","2","99.95","","","","","","","","","6","P -1","-P 1","2","","fac-Tricarbonylchlorido(6,6'-dihydroxy-2,2'-bipyridine)rhenium(I) tetrahydrofuran monosolvate","","- C17 H16 Cl N2 O6 Re -","- C17 H16 Cl N2 O6 Re -","- C34 H32 Cl2 N4 O12 Re2 -","2","1","IS5457","Lense, Sheri; Piro, Nicholas A.; Kassel, Scott W.; Wildish, Andrew; Jeffery, Brent","Crystal structures of fac-tricarbonylchlorido(6,6'-dihydroxy-2,2'-bipyridine)rhenium(I) tetrahydrofuran monosolvate and fac-bromidotricarbonyl(6,6'-dihydroxy-2,2'-bipyridine)manganese(I) tetrahydrofuran monosolvate","Acta Crystallographica Section E","2016","72","8","1201","1205","10.1107/S2056989016011841","","","0.71073","MoKα","","0.045","0.033","","","0.0591","0.0628","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","184731","2020-10-21","18:00:00",""
"2241789","10.2401","0.0012","13.1783","0.0015","14.248","0.0016","90","","106.228","0.003","90","","1846.1","0.4","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","fac-Bromidotricarbonyl(6,6'-dihydroxy-2,2'-bipyridine)manganese(I) tetrahydrofuran monosolvate","","- C17 H16 Br Mn N2 O6 -","- C17 H16 Br Mn N2 O6 -","- C68 H64 Br4 Mn4 N8 O24 -","4","1","IS5457","Lense, Sheri; Piro, Nicholas A.; Kassel, Scott W.; Wildish, Andrew; Jeffery, Brent","Crystal structures of fac-tricarbonylchlorido(6,6'-dihydroxy-2,2'-bipyridine)rhenium(I) tetrahydrofuran monosolvate and fac-bromidotricarbonyl(6,6'-dihydroxy-2,2'-bipyridine)manganese(I) tetrahydrofuran monosolvate","Acta Crystallographica Section E","2016","72","8","1201","1205","10.1107/S2056989016011841","","","0.71073","MoKα","","0.0425","0.0267","","","0.0555","0.0606","","","","","","1.006","","","","has coordinates,has Fobs","184731","2020-10-21","18:00:00",""
"2241790","7.8919","0.0007","10.5898","0.0007","12.0875","0.0012","90","","102.061","0.011","90","","987.9","0.15","223","2","223","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","catena-Poly[[dichloridocadmium(II)]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^N^5^:N^6^]","","- C18 H14 Cd Cl2 N4 O4 -","- C18 H14 Cd Cl2 N4 O4 -","- C36 H28 Cd2 Cl4 N8 O8 -","2","0.5","","Alfonso, Montserrat; Stoeckli-Evans, Helen","Isotypic one-dimensional coordination polymers: catena-poly[[dichloridocadmium]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^N^5^:N^6^] and catena-poly[[dichloridomercury(II)]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^N^5^:N^6^]","Acta Crystallographica Section E","2016","72","8","1214","1218","10.1107/S2056989016012093","","","0.71073","MoKα","","0.0275","0.0219","","","0.0492","0.0503","","","","","","0.952","","","","has coordinates,has Fobs","184732","2020-10-21","18:00:00",""
"2241791","8.1042","0.0006","10.6002","0.0016","12.2063","0.001","90","","103.158","0.007","90","","1021.07","0.19","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","catena-Poly[[dichloridomercury(II)]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^N^5^:N^6^]","","- C18 H14 Cl2 Hg N4 O4 -","- C18 H14 Cl2 Hg N4 O4 -","- C36 H28 Cl4 Hg2 N8 O8 -","2","0.5","","Alfonso, Montserrat; Stoeckli-Evans, Helen","Isotypic one-dimensional coordination polymers: catena-poly[[dichloridocadmium]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^N^5^:N^6^] and catena-poly[[dichloridomercury(II)]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^N^5^:N^6^]","Acta Crystallographica Section E","2016","72","8","1214","1218","10.1107/S2056989016012093","","","0.71073","MoKα","","0.0375","0.0317","","","0.0713","0.0743","","","","","","1.111","","","","has coordinates,has Fobs","184732","2020-10-21","18:00:00",""
"2241792","10.998","0.002","9.276","0.0017","25.661","0.005","90","","90","","90","","2617.9","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5-[(4-Carboxybenzyl)oxy]isophthalic acid","5-[(4-Carboxybenzyl)oxy]benzene-1,3-dicarboxylic acid","","- C16 H12 O7 -","- C16 H12 O7 -","- C128 H96 O56 -","8","1","SU5300","Faizi, Md. Serajul Haque; Ahmad, Musheer; Ali, Akram; Potaskalov, Vadim A.","Crystal structure of 5-[(4-carboxybenzyl)oxy]isophthalic acid","Acta Crystallographica Section E","2016","72","8","1219","1222","10.1107/S2056989016011762","","","0.71073","MoKα","","0.0495","0.0398","","","0.0939","0.1017","","","","","","1.069","","","","has coordinates,has Fobs","184733","2020-10-21","18:00:00",""
"2241793","13.2423","0.0002","5.1239","0.0001","16.1839","0.0003","90","","94.838","0.002","90","","1094.2","0.03","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,1-Dimethylhydrazin-1-ium bromide","","- C2 H9 Br N2 -","- C2 H9 Br N2 -","- C16 H72 Br8 N16 -","8","1","SU5314","Katinaitė, Judita; Harrison, William T. A.","Different cation-protonation patterns in molecular salts of unsymmetrical dimethyhydrazine: C~2~H~9~N~2~·Br and C~2~H~9~N~2~·H~2~PO~3~","Acta Crystallographica Section E","2016","72","8","1206","1210","10.1107/S2056989016011993","","","0.71073","MoKα","","0.0202","0.0197","","","0.0506","0.0509","","","","","","1.122","","","","has coordinates,has Fobs","184734","2020-10-21","18:00:00",""
"2241794","8.069","0.0002","6.997","0.0002","11.7001","0.0006","90","","90","","90","","660.57","0.04","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,2-Dimethylhydrazin-1-ium dihydrogen phosphite","","- C2 H11 N2 O3 P -","- C2 H11 N2 O3 P -","- C8 H44 N8 O12 P4 -","4","1","SU5314","Katinaitė, Judita; Harrison, William T. A.","Different cation-protonation patterns in molecular salts of unsymmetrical dimethyhydrazine: C~2~H~9~N~2~·Br and C~2~H~9~N~2~·H~2~PO~3~","Acta Crystallographica Section E","2016","72","8","1206","1210","10.1107/S2056989016011993","","","0.71073","MoKα","","0.0258","0.0249","","","0.0641","0.0645","","","","","","1.087","","","","has coordinates,has Fobs","184734","2020-10-21","18:00:00",""
"2241795","12.2872","0.0009","10.7186","0.0008","10.583","0.0008","90","","108.462","0.001","90","","1322.06","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Bromo-2-((1E)-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminiumyl}methyl)-6-methoxybenzen-1-olate","","- C12 H16 Br N O5 -","- C12 H16 Br N O5 -","- C48 H64 Br4 N4 O20 -","4","1","HB7605","Lee, See Mun; Lo, Kong Mun; Tan, Sang Loon; Tiekink, Edward R. T.","Zwitterionic 4-bromo-6-methoxy-2-{[tris(hydroxymethyl)methyl]iminiumylmethyl}phenolate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","8","1223","1227","10.1107/S2056989016012159","","","0.71073","MoKα","","0.0383","0.0295","","","0.0643","0.0683","","","","","","1.04","","","","has coordinates,has Fobs","184735","2020-10-21","18:00:00",""
"2241796","4.0876","0.0005","4.0876","0.0005","8.1351","0.0019","90","","90","","90","","135.93","0.04","293","2","293","2","","","","","","","","2","I 4/m m m","-I 4 2","139","","Niobium(IV) tetrafluoride","","- F4 Nb -","- F4 Nb -","- F8 Nb2 -","2","0.0625","WM5309","Bandemehr, Jascha; Conrad, Matthias; Kraus, Florian","Redetermination of the crystal structure of NbF~4~","Acta Crystallographica Section E","2016","72","8","1211","1213","10.1107/S2056989016012081","","","0.71073","MoKα","","0.0139","0.0139","","","0.0322","0.0322","","","","","","0.982","","","","has coordinates,has Fobs","184736","2020-10-21","18:00:00",""
"2241797","5.7654","0.0004","10.3155","0.0006","19.4879","0.0012","90","","90","","90","","1159","0.13","298","2","298","2","","","","","","","","2","F d d d","-F 2uv 2vw","70","","Titanium dibismuth","","- Bi2 Ti -","- Bi2 Ti -","- Bi32 Ti16 -","16","","BR2262","Watanabe, Kei; Yamane, Hisanori","Crystal structure of TiBi~2~","Acta Crystallographica Section E","2016","72","9","1254","1256","10.1107/S2056989016012391","","","0.71073","MoKα","","0.0257","0.0242","","","0.0603","0.0622","","","","","","1.313","","","","has coordinates,has Fobs","184857","2020-10-21","18:00:00",""
"2241798","8.568","0.0004","10.0475","0.0004","11.6778","0.0005","90","","103.272","0.004","90","","978.46","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Amino-2-oxo-2,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C44 H52 N12 O4 -","4","1","SU5315","Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of 1-amino-2-oxo-2,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile","Acta Crystallographica Section E","2016","72","9","1239","1241","10.1107/S2056989016012196","","","1.54184","CuKα","","0.0519","0.0394","","","0.0992","0.1088","","","","","","1.056","","","","has coordinates,has Fobs","184858","2020-10-21","18:00:00",""
"2241799","12.0236","0.0004","9.7045","0.0004","13.2607","0.0004","90","","96.26","0.002","90","","1538.07","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl (E)-4-[2-(8-hydroxyquinolin-2-yl)vinyl]benzoate","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","SU5312","Xu, Yu-Xing; Hu, Wei-Ji; Zhao, Guo-Liang","Crystal structure of methyl (E)-4-[2-(8-hydroxyquinolin-2-yl)vinyl]benzoate","Acta Crystallographica Section E","2016","72","9","1251","1253","10.1107/S205698901601210X","","","0.71073","MoKα","","0.089","0.0455","","","0.113","0.1366","","","","","","1.018","","","","has coordinates,has Fobs","184859","2020-10-21","18:00:00",""
"2241800","8.5619","0.0003","15.2699","0.0005","8.119","0.0003","90","","117.788","0.002","90","","939.06","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Calcium dizinc iron(III) tris(orthophosphate)","","- Ca Fe O12 P3 Zn2 -","- Ca Fe O12 P3 Zn2 -","- Ca4 Fe4 O48 P12 Zn8 -","4","1","PJ2033","Khmiyas, Jamal; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Synthesis and crystal structure of calcium dizinc iron(III) tris(orthophosphate), CaZn~2~Fe(PO~4~)~3~","Acta Crystallographica Section E","2016","72","9","1260","1262","10.1107/S2056989016012421","","","0.71073","MoKα","","0.0211","0.017","","","0.0401","0.0412","","","","","","1.042","","","","has coordinates,has Fobs","184862","2020-10-21","18:00:00",""
"2241801","10.1194","0.0004","10.8066","0.0004","14.9948","0.0006","110.57","0.02","97.1","0.02","106.17","0.02","1429.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3'-benzamido-4'-(4-methoxyphenyl)-1'-methylspiro[indeno[1,2-b]quinoxaline-11,2'-pyrrolidine]-3'-carboxylate","","- C35 H30 N4 O3 -","- C35 H30 N4 O3 -","- C70 H60 N8 O6 -","2","1","IS5458","Chandralekha, Kuppan; Sureshbabu, Adukamparai Rajukrishnan; Gavaskar, Deivasigamani; Lakshmi, Srinivasakannan","Crystal structure of methyl 3'-benzamido-4'-(4-methoxyphenyl)-1'-methylspiro[indeno[1,2-b]quinoxaline-11,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2016","72","9","1257","1259","10.1107/S2056989016012469","","","0.71073","MoKα","","0.0999","0.0462","","","0.1047","0.1399","","","","","","1.025","","","","has coordinates,has Fobs","184863","2020-10-21","18:00:00",""
"2241802","8.7315","0.0004","27.4581","0.0013","13.7943","0.0006","90","","94.061","0.004","90","","3298.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Hexaaquanickel(II) bis{5-bromo-7-[(2-hydroxyethyl)amino]-1-methyl-6-oxidoquinoline-1-ium-3-sulfonate} monohydrate","","- C24 H38 Br2 N4 Ni O17 S2 -","- C24 H38 Br2 N4 Ni O17 S2 -","- C96 H152 Br8 N16 Ni4 O68 S8 -","4","0.5","IS5459","Le Thi Hong, Hai; Nguyen Thi Ngoc, Vinh; Do Thi Van, Anh; Van Meervelt, Luc","Crystal structure of hexaaquanickel(II) bis{5-bromo-7-[(2-hydroxyethyl)amino]-1-methyl-6-oxidoquinolin-1-ium-3-sulfonate} monohydrate","Acta Crystallographica Section E","2016","72","9","1242","1245","10.1107/S2056989016012408","","","0.71073","MoKα","","0.028","0.0235","","","0.0537","0.0556","","","","","","1.077","","","","has coordinates,has Fobs","184864","2020-10-21","18:00:00",""
"2241803","18.1861","0.0002","7.1187","0.0001","35.707","0.0004","90","","100.448","0.001","90","","4546.03","0.1","123","2","123","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","[Tris(4,4-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate","","- C48 H42 N14 O5 -","- C48 H36 N14 O5 -","- C192 H144 N56 O20 -","4","0.5","HB7603","Setifi, Fatima; Valkonen, Arto; Setifi, Zouaoui; Nummelin, Sami; Touzani, Rachid; Glidewell, Christopher","Crystal structure of [tris(4,4'-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate","Acta Crystallographica Section E","2016","72","9","1246","1250","10.1107/S2056989016012160","","","0.71073","MoKα","","0.0572","0.049","","","0.1106","0.1148","","","","","","1.085","","","","has coordinates,has Fobs","184865","2020-10-21","18:00:00",""
"2241804","16.47","0.0018","12.2257","0.0012","17.0862","0.0019","90","","114.932","0.002","90","","3119.8","0.6","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[μ~2~-N-(2-hydroxyethyl)-N-isopropylcarbamodithioato-κ^3^S:S,S']bis{[N-(2-hydroxyethyl)-N-isopropylcarbamodithioato-κ^2^S,S'](3-{(1E)-[(E)-2-(pyridin-3-ylmethylidene)hydrazin-1-ylidene]methyl}pyridine-κN)cadmium]} dihydrate","","- C48 H72 Cd2 N12 O6 S8 -","- C48 H72 Cd2 N12 O6 S8 -","- C96 H144 Cd4 N24 O12 S16 -","2","0.5","WM5312","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","An unprecedented binuclear cadmium dithiocarbamate adduct: bis[μ~2~-N-(2-hydroxyethyl)-N-isopropylcarbamodithioato-κ^3^S:S,S']bis{[N-(2-hydroxyethyl)-N-isopropylcarbamodithioato-κ^2^S,S'](3-{(1E)-[(E)-2-(pyridin-3-ylmethylidene)hydrazin-1-ylidene]methyl}pyridine-κN)cadmium]} dihydrate","Acta Crystallographica Section E","2016","72","9","1234","1238","10.1107/S2056989016012214","","","0.71073","MoKα","","0.0304","0.0286","","","0.0635","0.065","","","","","","1.084","","","","has coordinates,has Fobs","184866","2020-10-21","18:00:00",""
"2241805","24.001","0.001","6.2369","0.0003","9.3266","0.0004","90","","99.621","0.002","90","","1376.48","0.11","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-N-(2-iodophenyl)acetamide","","- C14 H11 Cl I N O -","- C14 H11 Cl I N O -","- C56 H44 Cl4 I4 N4 O4 -","4","1","SU5316","Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath; Glidewell, Christopher","Crystal structures of two C,N-disubstituted acetamides: 2-(4-chlorophenyl)-N-(2-iodophenyl)acetamide and 2-(4-chlorophenyl)-N-(pyrazin-2-yl)acetamide","Acta Crystallographica Section E","2016","72","9","1270","1275","10.1107/S2056989016012512","","","0.71073","MoKα","","0.0491","0.0365","","","0.0704","0.0743","","","","","","1.071","","","","has coordinates,has Fobs","185710","2020-10-21","18:00:00",""
"2241806","10.7041","0.0004","7.5724","0.0003","28.6619","0.0011","90","","90","","90","","2323.21","0.15","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(4-Chlorophenyl)-N-(pyrazin-2-yl)acetamide","","- C12 H10 Cl N3 O -","- C12 H10 Cl N3 O -","- C96 H80 Cl8 N24 O8 -","8","1","SU5316","Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath; Glidewell, Christopher","Crystal structures of two C,N-disubstituted acetamides: 2-(4-chlorophenyl)-N-(2-iodophenyl)acetamide and 2-(4-chlorophenyl)-N-(pyrazin-2-yl)acetamide","Acta Crystallographica Section E","2016","72","9","1270","1275","10.1107/S2056989016012512","","","0.71073","MoKα","","0.0745","0.0471","","","0.1185","0.1363","","","","","","1.022","","","","has coordinates,has Fobs","185710","2020-10-21","18:00:00",""
"2241807","19.2539","0.0016","13.1442","0.0008","20.7913","0.0016","90","","97.327","0.01","90","","5218.8","0.7","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquatris(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II) 2.5-hydrate","","- C20 H25 Co N8 O6.5 S2 -","- C20 H25 Co N8 O6.5 S2 -","- C160 H200 Co8 N64 O52 S16 -","8","1","","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structure of aquatris(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II) 2.5-hydrate","Acta Crystallographica Section E","2016","72","9","1263","1266","10.1107/S2056989016012470","","","0.71073","MoKα","","0.0529","0.0397","","","0.087","0.0936","","","","","","1.012","","","","has coordinates,has Fobs","185711","2020-10-21","18:00:00",""
"2241808","6.2059","0.0004","7.0635","0.0004","7.7516","0.0005","93.166","0.004","96.548","0.004","105.883","0.004","323.36","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Calcium vanadium (V) oxide dihydrate","","- Ca H4 O8 V2 -","- Ca H4 O8 V2 -","- Ca2 H8 O16 V4 -","2","1","WM5311","Kobsch, Anaïs; Downs, Robert T.; Domanik, Kenneth J.","Redetermination of metarossite, CaV^5+^~2~O~6~·2H~2~O","Acta Crystallographica Section E","2016","72","9","1280","1284","10.1107/S2056989016012433","","","0.71073","MoKα","","0.0649","0.0361","","","0.0668","0.076","","","","","","1.013","","","","has coordinates,has Fobs","185712","2020-10-21","18:00:00",""
"2241809","6.955","0.0006","21.7483","0.0019","12.4482","0.0011","90","","94.509","0.001","90","","1877.1","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tricarbonylchlorido{1-[(pyridin-2-ylmethylidene)amino]adamantane}rhenium(I)","Tricarbonylchlorido{1-[(pyridin-2-ylmethylidene)amino]tricyclo[3.3.1.1^3,7^]\ decane}rhenium(I)","","- C19 H20 Cl N2 O3 Re -","- C19 H20 Cl N2 O3 Re -","- C76 H80 Cl4 N8 O12 Re4 -","4","1","WM5310","Jimenez, Jorge; Chakraborty, Indranil; Mascharak, Pradip","Synthesis and crystal structure of tricarbonylchlorido{1-[(pyridin-2-ylmethylidene)amino]adamantane}rhenium(I)","Acta Crystallographica Section E","2016","72","9","1276","1279","10.1107/S205698901601255X","","","0.71073","MoKα","","0.031","0.0232","","","0.0476","0.0501","","","","","","1.052","","","","has coordinates,has Fobs","185713","2020-10-21","18:00:00",""
"2241810","18.508","0.005","4.994","0.005","29.594","0.005","90","","90","","90","","2735","3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-[4-(Ethoxycarbonyl)piperazin-1-yl]benzoic acid","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C112 H144 N16 O32 -","8","2","LH5818","Faizi, Md. Serajul Haque; Ahmad, Musheer; Golenya, Irina A.","Crystal structure of 4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid","Acta Crystallographica Section E","2016","72","9","1267","1269","10.1107/S2056989016012482","","","0.71073","MoKα","","0.0982","0.0768","","","0.1815","0.2016","","","","","","1.077","","","","has coordinates,has Fobs","185714","2020-10-21","18:00:00",""
"2241811","9.0254","0.0009","11.4601","0.0012","12.3621","0.0014","90","","90","","90","","1278.6","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dimethylformamidium bis(trifluoromethanesulfonyl)amide","","- C5 H8 F6 N2 O5 S2 -","- C5 H8 F6 N2 O5 S2 -","- C20 H32 F24 N8 O20 S8 -","4","1","HB7586","Cardenas, Allan Jay P.; O'Hagan, Molly","Crystal structure of dimethylformamidium bis(trifluoromethanesulfonyl)amide: an ionic liquid","Acta Crystallographica Section E","2016","72","9","1290","1292","10.1107/S2056989016012251","","","0.71073","MoKα","","0.028","0.0254","","","0.0645","0.0658","","","","","","1.059","","","","has coordinates,has Fobs","185785","2020-10-21","18:00:00",""
"2241812","9.6655","0.0004","6.2286","0.0003","29.1778","0.0013","90","","90","","90","","1756.58","0.14","173","2","173.15","","","","","","","","","4","P n a 21","P 2c -2n","33","1-naphthalene boronic acid","(Naphthalen-1-yl)boronic acid","","- C10 H9 B O2 -","- C10 H9 B O2 -","- C80 H72 B8 O16 -","8","2","HB7602","Bemisderfer, Kayleigh; Nazarenko, Alexander Y.","Two forms of (naphthalen-1-yl)boronic acid","Acta Crystallographica Section E","2016","72","9","1285","1289","10.1107/S2056989016012494","","","1.54178","CuKα","","0.0386","0.0346","","","0.0912","0.0944","","","","","","1.024","","","","has coordinates,has Fobs","185786","2020-10-21","18:00:00",""
"2241813","14.8469","0.0011","6.1023","0.0004","9.6797","0.0007","90","","93.978","0.003","90","","874.87","0.11","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Naphthalen-1-yl)boronic acid","","- C10 H9 B O2 -","- C10 H9 B O2 -","- C40 H36 B4 O8 -","4","1","","Bemisderfer, Kayleigh; Nazarenko, Alexander Y.","Two forms of (naphthalen-1-yl)boronic acid","Acta Crystallographica Section E","2016","72","9","1285","1289","10.1107/S2056989016012494","","","1.54178","CuKα","","0.0426","0.0345","","","0.0862","0.0914","","","","","","1.037","","","","has coordinates,has Fobs","185786","2020-10-21","18:00:00",""
"2241814","6.524","0.0013","17.35","0.004","12.901","0.003","90","","97.18","0.03","90","","1448.8","0.6","253","2","253","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[trans-dichloridobis(propane-1,3-diamine-κ^2^N,N')chromium(III)]dichromate","","- C12 H40 Cl4 Cr4 N8 O7 -","- C12 H40 Cl4 Cr4 N8 O7 -","- C24 H80 Cl8 Cr8 N16 O14 -","2","0.5","WM5308","Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha","Crystal structure of bis[trans-dichloridobis(propane-1,3-diamine-κ^2^N,N')chromium(III)] dichromate from synchrotron data","Acta Crystallographica Section E","2016","72","9","1293","1296","10.1107/S2056989016012755","","","0.61","synchrotron","","0.0422","0.0372","","","0.1019","0.1047","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","185787","2020-10-21","18:00:00",""
"2241815","16.6854","0.0012","7.0799","0.0006","13.4537","0.001","90","","96.236","0.009","90","","1579.9","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[diaqua[μ~3~-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^5^O^2^:O^3^:O^3^,N^4^,N^5^]cadmium]","","- C16 H12 Cd N4 O6 -","- C16 H12 Cd N4 O6 -","- C64 H48 Cd4 N16 O24 -","4","1","","Alfonso, Monserrat; Stoeckli-Evans, Helen","A two-dimensional Cd^II^ coordination polymer: poly[diaqua[μ~3~-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^5^O^2^:O^3^:O^3^,N^4^,N^5^]cadmium]","Acta Crystallographica Section E","2016","72","9","1297","1300","10.1107/S2056989016012858","","","0.71073","MoKα","","0.0884","0.038","","","0.0558","0.0625","","","","","","0.747","","","","has coordinates,has Fobs","185836","2020-10-21","18:00:00",""
"2241816","11.916","0.0003","10.2528","0.0002","14.9434","0.0004","90","","107.202","0.003","90","","1744","0.08","100.2","0.3","100.2","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","mer-Trichloridotris(tetrahydrothiophene-κS)iridium(III)","","- C12 H24 Cl3 Ir S3 -","- C12 H24 Cl3 Ir S3 -","- C48 H96 Cl12 Ir4 S12 -","4","1","PK2588","Brown, Loren C.; DuChane, Christine M.; Merola, Joseph S.","mer-Trichloridotris(tetrahydrothiophene-κS)iridium(III): preparation and comparison with other mer-trichloridotris(tetrahydrothiophene-κS)metal complexes","Acta Crystallographica Section E","2016","72","9","1305","1309","10.1107/S2056989016012883","","","0.71073","MoKα","","0.035","0.0286","","","0.0602","0.0631","","","","","","1.052","","","","has coordinates,has Fobs","185837","2020-10-21","18:00:00",""
"2241817","12.526","0.002","7.2647","0.0013","14.712","0.003","90","","107.86","0.002","90","","1274.2","0.4","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis(η^2^-ethylene)(η^5^-pentamethylcyclopentadienyl)cobalt","","- C14 H23 Co -","- C14 H23 Co -","- C56 H92 Co4 -","4","1","IS5456","Ramful, Chandika D.; Robertson, Katherine N.; Ylijoki, Kai E. O.","Crystal structure of bis(η^2^-ethylene)(η^5^-pentamethylcyclopentadienyl)cobalt","Acta Crystallographica Section E","2016","72","9","1301","1304","10.1107/S2056989016012822","","","0.71073","MoKα","","0.0481","0.0394","","","0.1003","0.1055","","","","","","1.055","","","","has coordinates,has Fobs","185838","2020-10-21","18:00:00",""
"2241818","6.2404","0.0003","11.1725","0.0006","12.9987","0.0007","109.284","0.002","100.233","0.004","93.925","0.002","833.9","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","2-(4-Methylphenyl)-17-thiatetracyclo[8.7.0.0^3,8^.0^11,16^]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene","6-(p-Tolyl)benzo[b]naphtho[2,3-d]thiophene","","- C23 H16 S -","- C23 H16 S -","- C46 H32 S2 -","2","1","LH5819","Gopinath, S.; Sethusankar, K.; Stoeckli-Evans, Helen; Rafiq, Muhamad; Mohanakrishnan, Arasambattu K.","Crystal structure of 6-(p-tolyl)benzo[b]naphtho[2,3-d]thiophene and of an orthorhombic polymorph of 7-phenylanthra[2,3-b]benzo[d]thiophene","Acta Crystallographica Section E","2016","72","9","1310","1314","10.1107/S2056989016012937","","","0.71073","MoKα","","0.0541","0.0388","","","0.0965","0.1131","","","","","","1.071","","","","has coordinates,has Fobs","185839","2020-10-21","18:00:00",""
"2241819","12.2159","0.0008","33.1138","0.0004","8.8993","0.0005","90","","90","","90","","3599.9","0.3","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","14-Phenyl-10-thiapentacyclo[11.8.0.0^3,11^.0^4,9^.0^15,20^]\ henicosa-1,3(11),4(9),57,12,14,16,18,20-decaene","7-Phenylanthra[2,3-b]benzo[d]thiophene","","- C26 H16 S -","- C26 H16 S -","- C208 H128 S8 -","8","1","LH5819","Gopinath, S.; Sethusankar, K.; Stoeckli-Evans, Helen; Rafiq, Muhamad; Mohanakrishnan, Arasambattu K.","Crystal structure of 6-(p-tolyl)benzo[b]naphtho[2,3-d]thiophene and of an orthorhombic polymorph of 7-phenylanthra[2,3-b]benzo[d]thiophene","Acta Crystallographica Section E","2016","72","9","1310","1314","10.1107/S2056989016012937","","","0.71073","MoKα","","0.0755","0.0589","","","0.164","0.182","","","","","","1.044","","","","has coordinates,has Fobs","185839","2020-10-21","18:00:00",""
"2241820","5.4534","0.0011","17.203","0.003","20.06","0.004","90","","90","","90","","1881.9","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl {2-[4-(4-isopropylphenyl)thiazol-2-yl]phenyl}carbamate","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C84 H88 N8 O8 S4 -","4","1","HB7607","Sukhonosova, Elena V.; Sokov, Sergey A.; Ostapenko, Gennady I.; Bunev, Alexander S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structures of ethyl {2-[4-(4-isopropylphenyl)thiazol-2-yl]phenyl}carbamate and ethyl {2-[4-(3-nitrophenyl)thiazol-2-yl]phenyl}carbamate","Acta Crystallographica Section E","2016","72","9","1321","1325","10.1107/S2056989016013104","","","0.9699","synchrotron","","0.0734","0.0524","","","0.1088","0.1225","","","","","","0.964","","","","has coordinates,has Fobs","185906","2020-10-21","18:00:00",""
"2241821","23.84","0.005","9.7401","0.0019","7.1403","0.0014","90","","90","","90","","1658","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Ethyl {2-[4-(3-nitrophenyl)thiazol-2-yl]phenyl}carbamate","","- C18 H15 N3 O4 S -","- C18 H15 N3 O4 S -","- C72 H60 N12 O16 S4 -","4","1","HB7607","Sukhonosova, Elena V.; Sokov, Sergey A.; Ostapenko, Gennady I.; Bunev, Alexander S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structures of ethyl {2-[4-(4-isopropylphenyl)thiazol-2-yl]phenyl}carbamate and ethyl {2-[4-(3-nitrophenyl)thiazol-2-yl]phenyl}carbamate","Acta Crystallographica Section E","2016","72","9","1321","1325","10.1107/S2056989016013104","","","0.9699","synchrotron","","0.0446","0.0372","","","0.0855","0.0901","","","","","","1.05","","","","has coordinates,has Fobs","185906","2020-10-21","18:00:00",""
"2241822","8.2868","0.0017","8.657","0.0017","6.5263","0.0013","90","","92.87","0.03","90","","467.6","0.16","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Barium manganese(II) pyroborate","","- B2 Ba Mn O5 -","- B2 Ba Mn O5 -","- B8 Ba4 Mn4 O20 -","4","1","WM5306","Maschmeyer, Elizabeth M.; Sanjeewa, Liurukara D.; Ranmohotti, Kulugammana G. S.","Crystal structure of BaMnB~2~O~5~ containing structurally isolated manganese oxide sheets","Acta Crystallographica Section E","2016","72","9","1315","1320","10.1107/S2056989016013074","","","0.71073","MoKα","","0.0289","0.0248","","","0.0552","0.0564","","","","","","1.098","","","","has coordinates,has Fobs","185907","2020-10-21","18:00:00",""
"2241823","10.7527","0.0006","11.6731","0.0006","12.4456","0.0007","98.236","0.002","112.374","0.001","108.944","0.002","1301.16","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Dihydropyrimidine","Methyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate monohydrate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C52 H64 N8 O20 -","4","2","HB7604","Bairagi, Keshab M.; Venugopala, Katharigatta N.; Mondal, Pradip Kumar; Odhav, Bharti; Nayak, Susanta K.","Crystal structure of methyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate monohydrate","Acta Crystallographica Section E","2016","72","9","1335","1338","10.1107/S2056989016013359","","","0.71073","MoKα","","0.0455","0.0375","","","0.0953","0.0988","","","","","","1.042","","","","has coordinates,has Fobs","186040","2020-10-21","18:00:00",""
"2241824","6.4941","0.0011","13.491","0.002","15.086","0.003","102.911","0.003","91.824","0.003","101.5","0.003","1258.4","0.4","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","Bis[(adamantan-1-yl)methanaminium chloride] 1,4-dioxane hemisolvate monohydrate","","- C12 H23 Cl N O -","- C12 H23 Cl N O -","- C48 H92 Cl4 N4 O4 -","4","2","HB7608","Mohamed, Sharmarke","Solvent inclusion in the crystal structure of bis[(adamantan-1-yl)methanaminium chloride] 1,4-dioxane hemisolvate monohydrate explained using the computed crystal energy landscape","Acta Crystallographica Section E","2016","72","9","1348","1352","10.1107/S2056989016013256","","","0.71073","MoKα","","0.0999","0.0562","","","0.0937","0.1047","","","","","","1.059","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2241825","6.3726","0.0005","14.2549","0.0011","18.2817","0.0012","90","","90","","90","","1660.7","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((E)-{2-[(E)-(4-Hydroxynaphthalen-1-yl)methylidene]hydrazin-1-yl}(methylsulfanyl)methylidene)azanium hydrogen sulfate monohydrate","","- C13 H17 N3 O6 S2 -","- C13 H17 N3 O6 S2 -","- C52 H68 N12 O24 S8 -","4","1","","Nehar, Oussama; Louhibi, Samira; Boukli-Hacene, Leila; Roisnel, Thierry","Synthesis and crystal structure of ((E)-{2-[(E)-(4-hydroxynaphthalen-1-yl)methylidene]hydrazin-1-yl}(methylsulfanyl)methylidene)azanium hydrogen sulfate monohydrate","Acta Crystallographica Section E","2016","72","9","1326","1329","10.1107/S2056989016013232","","","0.71073","MoKα","","0.0413","0.0386","","","0.1004","0.1025","","","","","","1.07","","","","has coordinates,has Fobs","186042","2020-10-21","18:00:00",""
"2241826","11.2517","0.0005","16.424","0.001","31.1181","0.0018","90","","90","","90","","5750.6","0.5","147","2","147","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","(+)-trans-Chlorido{2-[(R~p~)-2-(methylsulfanyl)ferrocenyl]-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-ylidene}bis(triphenylphosphane-κP)palladium(II) hexafluoridophosphate dichloroform disolvate","","- C55 H50 Cl7 F6 Fe N2 P3 Pd S -","- C55 H50 Cl7 F6 Fe N2 P3 Pd S -","- C220 H200 Cl28 F24 Fe4 N8 P12 Pd4 S4 -","4","1","HB7606","Wilson-Konderka, Cody; Lough, Alan J.; Metallinos, Costa","(+)-trans-Chlorido{2-[(R~p~)-2-(methylsulfanyl)ferrocenyl]-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-ylidene}bis(triphenylphosphane-κP)palladium(II) hexafluoridophosphate dichloroform disolvate","Acta Crystallographica Section E","2016","72","9","1330","1334","10.1107/S2056989016013190","","","0.71073","MoKα","","0.0697","0.0444","","","0.067","0.0745","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","186043","2020-10-21","18:00:00",""
"2241827","9.2713","0.0006","19.0235","0.0011","15.6054","0.0009","90","","105.118","0.002","90","","2657.1","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-4-Hydroxy-N'-(3-methoxybenzylidene)benzohydrazide","(E)-4-Hydroxy-N'-(3-methoxybenzylidene)benzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","2","PK2585","Chantrapromma, Suchada; Prachumrat, Patcharawadee; Ruanwas, Pumsak; Boonnak, Nawong; Kassim, Mohammad B.","Crystal structure of (E)-4-hydroxy-N'-(3-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2016","72","9","1339","1342","10.1107/S2056989016013268","","","0.71073","MoKα","","0.094","0.0459","","","0.0874","0.1054","","","","","","1.06","","","","has coordinates,has Fobs","186044","2020-10-21","18:00:00",""
"2241828","12.901","0.003","5.516","0.0011","23.143","0.005","90","","105.32","0.03","90","","1588.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(4-Phenylthiazol-2-yl)carbamothioyl]benzamide","","- C17 H13 N3 O S2 -","- C17 H13 N3 O S2 -","- C68 H52 N12 O4 S8 -","4","1","HB7611","Gantimurova, Ekaterina S.; Bunev, Alexander S.; Talina, Kristina Yu.; Ostapenko, Gennady I.; Dorovatovskii, Pavel V.; Lobanov, Nikolai N.; Khrustalev, Victor N.","Crystal structures of N-[(4-phenylthiazol-2-yl)carbamothioyl]benzamide and N-{[4-(4-bromophenyl)thiazol-2-yl]carbamothioyl}benzamide from synchrotron X-ray diffraction","Acta Crystallographica Section E","2016","72","9","1343","1347","10.1107/S2056989016013396","","","0.9699","synchrotron","","0.0437","0.0355","","","0.0898","0.0953","","","","","","1.029","","","","has coordinates,has Fobs","186045","2020-10-21","18:00:00",""
"2241829","37.21","0.007","4","0.0008","28.45","0.006","90","","128.69","0.03","90","","3305.2","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N-{[4-(4-Bromophenyl)thiazol-2-yl]carbamothioyl}benzamide","","- C17 H12 Br N3 O S2 -","- C17 H12 Br N3 O S2 -","- C136 H96 Br8 N24 O8 S16 -","8","1","HB7611","Gantimurova, Ekaterina S.; Bunev, Alexander S.; Talina, Kristina Yu.; Ostapenko, Gennady I.; Dorovatovskii, Pavel V.; Lobanov, Nikolai N.; Khrustalev, Victor N.","Crystal structures of N-[(4-phenylthiazol-2-yl)carbamothioyl]benzamide and N-{[4-(4-bromophenyl)thiazol-2-yl]carbamothioyl}benzamide from synchrotron X-ray diffraction","Acta Crystallographica Section E","2016","72","9","1343","1347","10.1107/S2056989016013396","","","0.9699","synchrotron","","0.0566","0.0402","","","0.0835","0.092","","","","","","1.016","","","","has coordinates,has Fobs","186045","2020-10-21","18:00:00",""
"2241830","9.8193","0.0004","16.0492","0.0007","11.3312","0.0005","90","","96.511","0.002","90","","1774.19","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[μ-Ethane-1,2-diylbis(diphenylphosphane)-κ^2^P:P']bis[pentacarbonyltungsten(0)]","","- C36 H24 O10 P2 W2 -","- C36 H24 O10 P2 W2 -","- C72 H48 O20 P4 W4 -","2","0.5","VN2114","Drake, Hannah F.; Wheeler, Kraig A.; Bellott, Brian J.","Crystal structure of (OC)~5~W(μ-dppe)W(CO)~5~","Acta Crystallographica Section E","2016","72","10","1383","1385","10.1107/S2056989016013670","","","1.54178","CuKα","","0.0239","0.0206","","","0.0465","0.0478","","","","","","1.057","","","","has coordinates,has Fobs","186170","2020-10-21","18:00:00",""
"2241831","8.447","0.0017","9.895","0.002","15.254","0.003","90","","97.13","0.03","90","","1265.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido{2-methyl-2-[(pyridin-2-ylmethyl)amino]propan-1-ol-κ^3^N,N',O}copper(II)","","- C10 H16 Cl2 Cu N2 O -","- C10 H16 Cl2 Cu N2 O -","- C40 H64 Cl8 Cu4 N8 O4 -","4","1","ZL2674","Shin, Jong Won; Lee, Dong Won; Kim, Dae-Woong; Moon, Dohyun","Crystal structure of dichlorido{2-methyl-2-[(pyridin-2-ylmethyl)amino]propan-1-ol-κ^3^N,N',O}copper(II) from synchrotron data","Acta Crystallographica Section E","2016","72","10","1400","1403","10.1107/S2056989016013773","","","0.61","Synchrotron","","0.0235","0.0224","","","0.0602","0.0606","","","","","","1.056","","","","has coordinates,has Fobs","186171","2020-10-21","18:00:00",""
"2241832","8.3456","0.0001","13.3241","0.0001","12.7011","0.0001","90","","99.284","0.001","90","","1393.83","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tricarbonyl(N-methylpyridine-2-carboxamide-κ^2^N^1^,O)(thiocyanato-κN)rhenium(I)","","- C11 H8 N3 O4 Re S -","- C11 H8 N3 O4 Re S -","- C44 H32 N12 O16 Re4 S4 -","4","1","WM5320","Lyczko, Krzysztof","Crystal structure of a second polymorph of tricarbonyl(N-methylpyridine-2-carboxamide-κ^2^N^1^,O)(thiocyanato-κN)rhenium(I)","Acta Crystallographica Section E","2016","72","10","1386","1389","10.1107/S205698901601389X","","","0.71073","MoKα","","0.0115","0.0107","","","0.0248","0.0251","","","","","","1.114","","","","has coordinates,has Fobs","186172","2020-10-21","18:00:00",""
"2241833","22.683","0.0011","16.6644","0.0006","16.8388","0.0006","90","","91.026","0.003","90","","6364","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-4-Oxidobenzoato-κ^2^O^1^:O^4^-bis[bis(1,10-phenanthroline-κ^2^N,N')copper(II)] bis(4-hydroxybenzoate) 7.5-hydrate","","- C69 H61 Cu2 N8 O16.5 -","- C69 H61 Cu2 N8 O16.5 -","- C276 H244 Cu8 N32 O66 -","4","1","HB7601","Su, Jian-Rong; Li, Yu","Crystal structure of μ-4-oxidobenzoato-κ^2^O^1^:O^4^-bis[bis(1,10-phenanthroline-κ^2^N,N')copper(II)] bis(4-hydroxybenzoate) 7.5-hydrate","Acta Crystallographica Section E","2016","72","10","1396","1399","10.1107/S2056989016013943","","","0.71073","MoKα","","0.1068","0.0671","","","0.167","0.2013","","","","","","1.031","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2241834","7.4916","0.0003","8.5915","0.0003","15.0343","0.0006","86.363","0.003","75.894","0.002","74.39","0.002","903.87","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","trans-Diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)zinc(II)","","- C36 H40 N6 O8 Zn -","- C36 H40 N6 O8 Zn -","- C36 H40 N6 O8 Zn -","1","0.5","XU5890","Akduran, Nurcan; Necefoğlu, Hacali; Aydoğdu, Ömer; Hökelek, Tuncer","Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)zinc(II)","Acta Crystallographica Section E","2016","72","10","1374","1376","10.1107/S2056989016013815","","","0.71073","MoKα","","0.0353","0.0316","","","0.0817","0.084","","","","","","1.06","","","","has coordinates,has Fobs","186176","2020-10-21","18:00:00",""
"2241835","5.1776","0.0003","27.9346","0.0017","8.7893","0.0006","90","","96.203","0.002","90","","1263.79","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BHQMBD","9,9'-{(1E,1'E)-[1,4-Phenylenebis(azanylylidene)]bis(methanylylidene)}bis(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-8-ol)","","- C32 H34 N4 O2 -","- C32 H34 N4 O2 -","- C64 H68 N8 O4 -","2","0.5","SU5322","Faizi, Md. Serajul Haque; Ali, Akram; Potaskalov, Vadim A.","Crystal structure of 9,9'-{(1E,1'E)-[1,4-phenylenebis(azanylylidene)]bis(methanylylidene)}bis(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-8-ol)","Acta Crystallographica Section E","2016","72","10","1366","1369","10.1107/S205698901601344X","","","0.71073","MoKα","","0.0991","0.0504","","","0.1085","0.1272","","","","","","1.023","","","","has coordinates,has Fobs","186177","2020-10-21","18:00:00",""
"2241836","7.7318","0.0003","9.6675","0.0004","12.8299","0.0005","76.511","0.004","76.157","0.004","73.928","0.003","880.3","0.06","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","2-[2-(2,5-Dichlorobenzyloxy)-2-(furan-2-yl)ethyl]-2H-indazole","","- C20 H16 Cl2 N2 O2 -","- C20 H16 Cl2 N2 O2 -","- C40 H32 Cl4 N4 O4 -","2","1","XU5891","Özel Güven, Özden; Türk, Gökhan; Adler, Philip D. F.; Coles, Simon J.; Hökelek, Tuncer","Crystal structure of 2-[2-(2,5-dichlorobenzyloxy)-2-(furan-2-yl)ethyl]-2H-indazole","Acta Crystallographica Section E","2016","72","10","1377","1379","10.1107/S2056989016013827","","","0.71073","MoKα","","0.0348","0.0307","","","0.0801","0.0827","","","","","","1.048","","","","has coordinates,has Fobs","186178","2020-10-21","18:00:00",""
"2241837","5.663","0.0008","8.707","0.001","20.152","0.003","81.69","0.01","86.48","0.01","88.48","0.01","981.2","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","aryl cyclohexyl nonanoid","3,5-Dihydroxy-2-[9-(4-hydroxyphenyl)nonanoyl]cyclohexa-2,4-dien-1-one","","- C21 H26 O5 -","- C21 H26 O5 -","- C42 H52 O10 -","2","1","","Bauri, Ajoy Kumar; Foro, Sabine; Do, Nhu Quynh Nguyen","Crystal structure of an aryl cyclohexyl nonanoid, an antiproliferative molecule isolated from the spice Myristica malabarica","Acta Crystallographica Section E","2016","72","10","1408","1411","10.1107/S2056989016013797","","","0.71073","MoKα","","0.0948","0.0705","","","0.1626","0.1775","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","186179","2020-10-21","18:00:00",""
"2241838","10.0452","0.0002","13.151","0.0002","21.0926","0.0004","90","","101.221","0.001","90","","2733.16","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Tris{2-[(5-chloro-2-oxidobenzylidene-κO)amino-κN]ethyl}amine)ytterbium(III)","","- C27 H24 Cl3 N4 O3 Yb -","- C27 H24 Cl3 N4 O3 Yb -","- C108 H96 Cl12 N16 O12 Yb4 -","4","1","HB7612","Lee, See Mun; Lo, Kong Mun; Tan, Sang Loon; Tiekink, Edward R. T.","(Tris{2-[(5-chloro-2-oxidobenzylidene-κO)amino-κN]ethyl}amine)ytterbium(III): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","10","1390","1395","10.1107/S2056989016013748","","","0.71073","MoKα","","0.0341","0.0224","","","0.0491","0.0545","","","","","","1.053","","","","has coordinates,has Fobs","186180","2020-10-21","18:00:00",""
"2241839","6.9725","0.0001","7.3174","0.0001","8.9189","0.0002","69.241","0.001","79.975","0.001","70.127","0.001","399.422","0.012","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","2-Acetyl-4-ethynylphenol","","- C10 H8 O2 -","- C10 H8 O2 -","- C20 H16 O4 -","2","1","SU5317","Hübscher, Jörg; Rosin, Robert; Seichter, Wilhelm; Weber, Edwin","Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3,3-dimethyl-1-propynyl)phenol","Acta Crystallographica Section E","2016","72","10","1370","1373","10.1107/S2056989016013451","","","0.71073","MoKα","","0.0422","0.038","","","0.1105","0.1154","","","","","","1.06","","","","has coordinates,has Fobs","186181","2020-10-21","18:00:00",""
"2241840","22.5787","0.0006","16.9306","0.0004","9.2849","0.0002","90","","101.815","0.001","90","","3474.15","0.14","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Acetyl-4-(3-hydroxy-3,3-dimethyl-1-propynyl)phenol","","- C13 H14 O3 -","- C13 H14 O3 -","- C156 H168 O36 -","12","3","SU5317","Hübscher, Jörg; Rosin, Robert; Seichter, Wilhelm; Weber, Edwin","Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3,3-dimethyl-1-propynyl)phenol","Acta Crystallographica Section E","2016","72","10","1370","1373","10.1107/S2056989016013451","","","0.71073","MoKα","","0.0989","0.0472","","","0.1019","0.1171","","","","","","0.894","","","","has coordinates,has Fobs","186181","2020-10-21","18:00:00",""
"2241841","6.7773","0.0014","13.87","0.003","16.104","0.003","90","","93.788","0.003","90","","1510.5","0.5","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(2-Ammonioethyl)morpholin-4-ium dichloridodiiodidocadmate/chloridotriiodidocadmate (0.90/0.10)","","- C6 H16 Cd Cl1.9 I2.1 N2 O -","- C6 H16 Cd Cl1.8977 I2.1023 N2 O -","- C24 H64 Cd4 Cl7.5908 I8.4092 N8 O4 -","4","1","WM5315","Mahbouli Rhouma, Najla; Rayes, Ali; Mezzadri, Francesco; Calestani, Gianluca; Loukil, Mohamed","Synthesis and crystal structure of 4-(2-ammonioethyl)morpholin-4-ium dichloridodiiodidocadmate/chloridotriiodidocadmate (0.90/0.10)","Acta Crystallographica Section E","2016","72","10","1404","1407","10.1107/S2056989016013967","","","0.71073","MoKα","","0.0283","0.0241","","","0.053","0.0545","","","","","","1.086","","","","has coordinates,has Fobs","186182","2020-10-21","18:00:00",""
"2241842","14.977","0.005","8.777","0.003","7.16","0.003","90","","97.9","0.005","90","","932.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena)-Poly[[(2,2'-bi-1H-imidazole-κ^2^N,N')cadmium]di-μ-chlorido]","","- C6 H6 Cd Cl2 N4 -","- C6 H6 Cd Cl2 N4 -","- C24 H24 Cd4 Cl8 N16 -","4","1","WM5319","Liu, Yang; Liu, Hai-Hui","Crystal structure and fluorescence properties of catena)-poly[[(2,2'-bi-1H-imidazole-κ^2^N,N')cadmium]di-μ-chlorido]","Acta Crystallographica Section E","2016","72","10","1421","1424","10.1107/S2056989016013736","","","0.71073","MoKα","","0.0466","0.0427","","","0.1099","0.1133","","","","","","1.099","","","","has coordinates,has Fobs","186492","2020-10-21","18:00:00",""
"2241843","35.4631","0.0011","40.2873","0.0012","4.8423","0.0001","90","","90","","90","","6918.3","0.3","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Poly[{μ~3~-(E)-3-[3-(carboxylatomethoxy)phenyl]acrylato-κ^3^O,O':O'':O'''}[μ~2~-3-(pyridin-4-yl)-1H-pyrazole-κ^2^N:N']cobalt(II)]","","- C19 H15 Co N3 O5 -","- C19 H15 Co N3 O5 -","- C304 H240 Co16 N48 O80 -","16","1","PK2590","Zhao, Can; Li, Xiao-Zong; Kang, Hong-Lan; Wen, Yi-Hang","Crystal structure of poly[{μ~3~-(E)-3-[3-(carboxylatomethoxy)phenyl]acrylato-κ^3^O,O':O'':O'''}[μ~2~-3-(pyridin-4-yl)-1H-pyrazole-κ^2^N:N']cobalt(II)]","Acta Crystallographica Section E","2016","72","10","1425","1428","10.1107/S205698901601402X","","","0.71073","MoKα","","","0.0293","","","0.0585","0.061","","","","","","1.018","","","","has coordinates,has Fobs","186493","2020-10-21","18:00:00",""
"2241844","8.148","0.007","10.4408","0.0013","11.5796","0.0011","70.527","0.008","84.232","0.009","84.849","0.008","922.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato]-κ^4^N^1^,O^2^,N^6^:O^3^;κ^4^O^3^:N^1^,O^2^,N^6^-bis[diaquamanganese(II)] tetrahydrate","","- C32 H32 Mn2 N8 O16 -","- C32 H32 Mn2 N8 O16 -","- C32 H32 Mn2 N8 O16 -","1","0.5","","Alfonso, Monserrat; Stoeckli-Evans, Helen","Isotypic Mn^II^ and Fe^II^ binuclear complexes of the ligand 5,6-bis(pyridin-2-yl)-pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section E","2016","72","10","1412","1416","10.1107/S2056989016014055","","","0.71073","MoKα","","0.0611","0.045","","","0.0971","0.108","","","","","","1.112","","","","has coordinates,has Fobs","186494","2020-10-21","18:00:00",""
"2241845","8.0933","0.0009","10.3403","0.0011","11.5679","0.0012","69.5","0.012","83.593","0.013","84.238","0.013","899.16","0.18","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Bis[μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato]-κ^4^N^1^,O^2^,N^6^:O^3^;κ^4^O^3^:N^1^,O^2^,N^6^-bis[diaquairon(II)] tetrahydrate","","- C32 H32 Fe2 N8 O16 -","- C32 H32 Fe2 N8 O16 -","- C32 H32 Fe2 N8 O16 -","1","0.5","","Alfonso, Monserrat; Stoeckli-Evans, Helen","Isotypic Mn^II^ and Fe^II^ binuclear complexes of the ligand 5,6-bis(pyridin-2-yl)-pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section E","2016","72","10","1412","1416","10.1107/S2056989016014055","","","0.71073","MoKα","","0.0591","0.0458","","","0.1113","0.1155","","","","","","0.969","","","","has coordinates,has Fobs","186494","2020-10-21","18:00:00",""
"2241846","18.599","0.004","26.986","0.005","14.042","0.003","90","","90","","90","","7048","3","243","2","243","2","","","","","","","","6","F d d 2","F 2 -2d","43","","cis-[dichlorido(1,4,8,11-tetraazacyclotetradecane-κN^4^)chromium(III)][oxalato(1,4,8,11-tetraazacyclotetradecane-κN^4^)chromium(III)]","","- C22 H48 Cl4 Cr2 N8 O12 -","- C22 H48 Cl4 Cr2 N8 O12 -","- C176 H384 Cl32 Cr16 N64 O96 -","8","0.5","WM5323","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of cis-[dichlorido(1,4,8,11-tetraazacyclotetradecane-{κN}^4^)chromium(III)][oxalato(1,4,8,11-tetraazacyclotetradecane-{κN}^4^)chromium(III)] diperchlorate from synchrotron data","Acta Crystallographica Section E","2016","72","10","1417","1420","10.1107/S2056989016014134","","","0.67","synchrotron","","0.0651","0.0567","","","0.1427","0.1502","","","","","","1.036","","","","has coordinates,has Fobs","186495","2020-10-21","18:00:00",""
"2241847","11.045","0.002","9.2023","0.0018","11.062","0.002","90","","100.91","0.03","90","","1104","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5a(RS),6(SR),7(RS),9a(SR),9b(SR)-5-Oxo-1,2,3,5,5a,6,7,9b-octahydro-7,9a-epoxypyrrolo[2,1-a]isoindole-6-carboxylic acid","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","ZS2368","Poplevin, Dmitry S.; Zubkov, Fedor I.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structures of the two epimers from the unusual thermal C6-epimerization of 5-oxo-1,2,3,5,5a,6,7,9b-octahydro-7,9a-epoxypyrrolo[2,1-a]isoindole-6-carboxylic acid, 5a(RS),6(SR),7(RS),9a(SR),9b(SR) and 5a(RS),6(RS),7(RS),9a(SR),9b(SR)","Acta Crystallographica Section E","2016","72","10","1429","1433","10.1107/S2056989016014420","","","0.9699","synchrotron","","0.0838","0.0718","","","0.1757","0.189","","","","","","1.016","","","","has coordinates,has Fobs","186606","2020-10-21","18:00:00",""
"2241848","8.47","0.0017","8.51","0.0017","8.59","0.0017","94.04","0.03","111.12","0.03","105.17","0.03","548","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5a(RS),6(RS),7(RS),9a(SR),9b(SR)-5-Oxo-1,2,3,5,5a,6,7,9b-octahydro-7,9a-epoxypyrrolo[2,1-a]isoindole-6-carboxylic acid","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","ZS2368","Poplevin, Dmitry S.; Zubkov, Fedor I.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structures of the two epimers from the unusual thermal C6-epimerization of 5-oxo-1,2,3,5,5a,6,7,9b-octahydro-7,9a-epoxypyrrolo[2,1-a]isoindole-6-carboxylic acid, 5a(RS),6(SR),7(RS),9a(SR),9b(SR) and 5a(RS),6(RS),7(RS),9a(SR),9b(SR)","Acta Crystallographica Section E","2016","72","10","1429","1433","10.1107/S2056989016014420","","","0.9699","synchrotron","","0.1278","0.0988","","","0.2098","0.2404","","","","","","0.928","","","","has coordinates,has Fobs","186606","2020-10-21","18:00:00",""
"2241849","5.9601","0.0015","6.767","0.0017","13.112","0.004","84.955","0.018","83.25","0.02","83.042","0.019","519.8","0.2","10","2","10","2","","","","","","","","6","P -1","-P 1","2","glycine zinc sulfate pentahydrate","Hexaaquazinc(II) tetraaqua-diglycine zinc(II) bissulfate","","- C4 H30 N2 O22 S2 Zn2 -","- C4 H30 N2 O22 S2 Zn2 -","- C4 H30 N2 O22 S2 Zn2 -","1","0.5","WM5318","Fortes, A. Dominic; Howard, Christopher M.; Wood, Ian G.; Gutmann, Matthias J.","Glycine zinc sulfate pentahydrate, redetermination at 10K from time-of-flight neutron Laue diffraction","Acta Crystallographica Section E","2016","72","10","1438","1445","10.1107/S2056989016014304","","","","neutron","","0.0892","0.0892","","","0.2456","0.2456","","","","","","1.092","","","","has coordinates,has Fobs","186607","2020-10-21","18:00:00",""
"2241850","9.3884","0.0008","10.061","0.0008","13.3572","0.0011","96.194","0.001","102.487","0.001","99.443","0.001","1201.6","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(Z-N-(2-methylphenyl)-O-methylthiocarbamato-κS)(triphenylphosphane)-κP]gold(I)","","- C27 H25 Au N O P S -","- C27 H25 Au N O P S -","- C54 H50 Au2 N2 O2 P2 S2 -","2","1","HB7616","Yeo, Chien Ing; Tan, Sang Loon; Tiekink, Edward R. T.","A non-solvated form of [(Z-N-(2-methylphenyl)-O-methylthiocarbamato-κS)(triphenylphosphane)-κP]gold(I): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","10","1446","1452","10.1107/S2056989016014419","","","0.71073","MoKα","","0.0254","0.0225","","","0.054","0.0551","","","","","","1.041","","","","has coordinates,has Fobs","186608","2020-10-21","18:00:00",""
"2241851","8.2739","0.0002","17.4955","0.0005","7.2365","0.0002","90","","108.756","0.001","90","","991.9","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(pyridin-4-ylmethyl)cyclohexane-1,4-diammonium dichloride dihydrate","","- C18 H30 Cl2 N4 O2 -","- C18 H30 Cl2 N4 O2 -","- C36 H60 Cl4 N8 O4 -","2","0.5","","Moon, Suk-Hee; Kang, Donghyun; Park, Ki-Min","Crystal structure of N,N'-bis(pyridin-4-ylmethyl)cyclohexane-1,4-diammonium dichloride dihydrate","Acta Crystallographica Section E","2016","72","10","1453","1455","10.1107/S2056989016014626","","","0.71073","MoKα","","0.0385","0.0339","","","0.0854","0.0883","","","","","","1.042","","","","has coordinates,has Fobs","186748","2020-10-21","18:00:00",""
"2241852","18.5025","0.0012","17.8739","0.0012","19.7857","0.0013","90","","116.428","0.001","90","","5859.5","0.7","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Chloro-1,3-(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium tetrakis(3,5-trifluoromethylphenyl)borate","","- C59 H50 B Cl F24 N2 -","- C59 H50 B Cl F23.9982 N2 -","- C236 H200 B4 Cl4 F95.9928 N8 -","4","1","LH5822","Stack, Darcie L.; Masuda, Jason D.","Crystal structure of 2-chloro-1,3-(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium tetrakis(3,5-trifluoromethylphenyl)borate","Acta Crystallographica Section E","2016","72","10","1471","1474","10.1107/S2056989016014584","","","0.71073","MoKα","","0.0628","0.044","","","0.1025","0.1133","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","186749","2020-10-21","18:00:00",""
"2241853","8.3925","0.0009","14.0939","0.0015","15.8448","0.0017","90","","90","","90","","1874.2","0.3","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[N,N-Bis(2-hydroxyethyl)glycinato]chloridocobalt(II)","","- C6 H12 Cl Co N O4 -","- C6 H12 Cl Co N O4 -","- C48 H96 Cl8 Co8 N8 O32 -","8","1","LH5821","Zhou, Yanling; Liu, Xianrong; Wang, Qijun; Wang, Lisheng; Song, Baoling","Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the N,N-bis(2-hydroxyethyl)glycine anion","Acta Crystallographica Section E","2016","72","10","1463","1467","10.1107/S2056989016014596","","","0.71073","MoKα","","0.026","0.0252","","","0.065","0.0656","","","","","","1.135","","","","has coordinates,has Fobs","186750","2020-10-21","18:00:00",""
"2241854","7.6451","0.0002","15.1102","0.0004","17.0314","0.0005","67.1562","0.0018","80.5936","0.0017","84.0996","0.0017","1787.08","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","azimsulfuron","1-(4,6-Dimethoxypyrimidin-2-yl)-3-{[1-methyl-4-(2-methyl-2H-tetrazol-5-yl)pyrazol-5-yl]sulfonyl}urea","","- C13 H16 N10 O5 S -","- C13 H16 N10 O5 S -","- C52 H64 N40 O20 S4 -","4","2","","Kwon, Eunjin; Kim, Jineun; Park, Hyunjin; Kim, Tae Ho","A second triclinic polymorph of azimsulfuron","Acta Crystallographica Section E","2016","72","10","1468","1470","10.1107/S2056989016014845","","","0.71073","MoKα","","0.0642","0.0445","","","0.1044","0.1136","","","","","","1.067","","","","has coordinates,has Fobs","186751","2020-10-21","18:00:00",""
"2241855","6.7275","0.0004","6.8963","0.0004","20.0643","0.001","97.956","0.004","98.767","0.004","94.309","0.005","906.73","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","4-Aminopyridinium hydrogen (9-phosphonononyl)phosphonate","","- C14 H28 N2 O6 P2 -","- C14 H28 N2 O6 P2 -","- C28 H56 N4 O12 P4 -","2","1","","van Megen, Martin; Reiss, Guido J.; Frank, Walter","Hydrogen bonding, π‒π stacking and van der Waals forces-dominated layered regions in the crystal structure of 4-aminopyridinium hydrogen (9-phosphonononyl)phosphonate","Acta Crystallographica Section E","2016","72","10","1456","1459","10.1107/S2056989016014298","","","0.71073","MoKα","","0.0456","0.0378","","","0.0753","0.0786","","","","","","1.015","","","","has coordinates,has Fobs","186752","2020-10-21","18:00:00",""
"2241856","5.6138","0.0018","9.018","0.002","16.514","0.005","80.533","0.013","87.519","0.014","83.353","0.014","818.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","6-(4-Chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde","","- C19 H14 Cl N3 O S -","- C19 H14 Cl N3 O S -","- C38 H28 Cl2 N6 O2 S2 -","2","1","SU5325","Sowmya, A.; Anil Kumar, G. N.; Kumar, Sujeet; Karki, Subhas S.","The crystal structure of 6-(4-chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde","Acta Crystallographica Section E","2016","72","10","1460","1462","10.1107/S2056989016014754","","","0.71073","MoKα","","0.0494","0.0415","","","","0.11","","","","","","1.048","","","","has coordinates,has Fobs","186753","2020-10-21","18:00:00",""
"2241857","9.5856","0.0002","11.614","0.0002","13.6795","0.0003","78.043","0.002","77.868","0.002","82.358","0.002","1450.2","0.05","139","2","139","2","","","","","","","","5","P -1","-P 1","2","","[N-Benzyl-N-(2-phenylethyl)dithiocarbamato-κ^2^S,S']triphenyltin(IV)","","- C34 H31 N S2 Sn -","- C34 H31 N S2 Sn -","- C68 H62 N2 S4 Sn2 -","2","1","HB7618","Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.","[N-Benzyl-N-(2-phenylethyl)dithiocarbamato-κ^2^S,S']triphenyltin(IV) and [bis(2-methoxyethyl)dithiocarbamato-κ^2^S,S']triphenyltin(IV): crystal structures and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","10","1480","1487","10.1107/S2056989016014985","","","0.71073","MoKα","","0.0257","0.0224","","","0.0527","0.0547","","","","","","0.997","","","","has coordinates,has Fobs","186799","2020-10-21","18:00:00",""
"2241858","9.6703","0.0002","9.8015","0.0002","13.8515","0.0003","95.092","0.002","99.467","0.002","105.841","0.002","1233.41","0.05","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","[Bis(2-methoxyethyl)dithiocarbamato-κ^2^S,S']triphenyltin(IV)","","- C25 H29 N O2 S2 Sn -","- C25 H29 N O2 S2 Sn -","- C50 H58 N2 O4 S4 Sn2 -","2","1","HB7618","Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.","[N-Benzyl-N-(2-phenylethyl)dithiocarbamato-κ^2^S,S']triphenyltin(IV) and [bis(2-methoxyethyl)dithiocarbamato-κ^2^S,S']triphenyltin(IV): crystal structures and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","10","1480","1487","10.1107/S2056989016014985","","","0.71073","MoKα","","0.027","0.0234","","","0.0543","0.0561","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","186799","2020-10-21","18:00:00",""
"2241859","18.5886","0.0004","9.3071","0.0004","10.6646","0.0008","90","","105.644","0.003","90","","1776.69","0.16","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[{μ~2~-2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^2^O:O'}(μ~2~-pyrimidine-κ^2^N^1^:N^3^)silver(I)]","","- C18 H14 Ag Cl2 N3 O2 -","- C18 H14 Ag Cl2 N3 O2 -","- C72 H56 Ag4 Cl8 N12 O8 -","4","1","ZS2370","Hamamci Alisir, Sevim; Dege, Necmi","Crystal structure of a mixed-ligand silver(I) complex of the non-steroidal anti-inflammatory drug diclofenac and pyrimidine","Acta Crystallographica Section E","2016","72","10","1475","1479","10.1107/S2056989016014730","","","0.71073","MoKα","","0.0514","0.0394","","","0.0899","0.0949","","","","","","1.042","","","","has coordinates,has Fobs","186800","2020-10-21","18:00:00",""
"2241860","12.17737","0.00014","17.2876","0.0002","17.8916","0.0002","110.954","0.0012","96.276","0.0011","103.516","0.001","3341.92","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","N,N'-Bis[2-((benzyl){[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]naphthalene-1,8:4,5-tetracarboximide 1,2-dichlorobenzene trisolvate","","- C74 H62 Cl6 N6 O8 S2 -","- C74 H62 Cl6 N6 O8 S2 -","- C148 H124 Cl12 N12 O16 S4 -","2","1","ZS2369","Claudio-Catalán, Miguel Ángel; Medrano, Felipe; Tlahuext, Hugo; Godoy-Alcántar, Carolina","Crystal structure of N,N'-bis[2-((benzyl){[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]naphthalene-1,8:4,5-tetracarboximide 1,2-dichlorobenzene trisolvate","Acta Crystallographica Section E","2016","72","10","1503","1508","10.1107/S2056989016015188","","","1.54184","CuKα","","0.0377","0.0343","","","0.0946","0.0973","","","","","","1.033","","","","has coordinates,has Fobs","186854","2020-10-21","18:00:00",""
"2241861","7.0242","0.0006","6.2316","0.0006","17.1574","0.0015","90","","91.473","0.007","90","","750.77","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-Fluoro-3-[2-(6-fluoro-3,4-dihydro-2H-1,3-benzoxazin-3-yl)ethyl]-\ 3,4-dihydro-2H-1,3-benzoxazine","3,3'-(Ethane-1,2-diyl)bis(6-fluoro-3,4-dihydro-2H-1,3-benzoxazine)","","- C18 H18 F2 N2 O2 -","- C18 H18 F2 N2 O2 -","- C36 H36 F4 N4 O4 -","2","0.5","SJ5506","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure and C—H···F hydrogen bonding in the fluorinated bis-benzoxazine: 3,3'-(ethane-1,2-diyl)bis(6-fluoro-3,4-dihydro-2H-1,3-benzoxazine)","Acta Crystallographica Section E","2016","72","10","1509","1511","10.1107/S2056989016015243","","","0.71073","MoKα","","0.0525","0.0411","","","0.0963","0.101","","","","","","1.083","","","","has coordinates,has Fobs","186855","2020-10-21","18:00:00",""
"2241862","8.1798","0.0008","15.8675","0.0013","27.775","0.004","90","","90","","90","","3605","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(azido-κN)bis(quinolin-8-amine-κ^2^N,N')iron(II)","","- C18 H16 Fe N10 -","- C18 H16 Fe N10 -","- C144 H128 Fe8 N80 -","8","1","PJ2035","Setifi, Fatima; Moon, Dohyun; Koen, Robeyns; Setifi, Zouaoui; Lamsayah, Morad; Touzani, Rachid","Crystal structure of bis(azido-κN)bis(quinolin-8-amine-κ^2^N,N')iron(II)","Acta Crystallographica Section E","2016","72","10","1488","1491","10.1107/S2056989016014808","","","0.71073","MoKα","","0.136","0.0527","","","0.0966","0.1205","","","","","","0.969","","","","has coordinates,has Fobs","186856","2020-10-21","18:00:00",""
"2241863","17.132","0.001","13.6108","0.0008","18.9712","0.0011","90","","110.887","0.001","90","","4133","0.4","273","2","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(1-{[(quinolin-8-yl)imino]methyl}pyrene-κ^2^N,N')silver(I) trifluoromethanesulfonate","","- C53 H32 Ag F3 N4 O3 S -","- C53 H32 Ag F3 N4 O3 S -","- C212 H128 Ag4 F12 N16 O12 S4 -","4","1","WM5314","Pinto, Miguel; Chakraborty, Indranil; Mascharak, Pradip","Synthesis and crystal structure of bis(1-{[(quinolin-8-yl)imino]methyl}pyrene-κ^2^N,N')silver(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2016","72","10","1495","1498","10.1107/S205698901601519X","","","0.71073","MoKα","","0.111","0.0584","","","0.1489","0.1813","","","","","","1.028","","","","has coordinates,has Fobs","186857","2020-10-21","18:00:00",""
"2241864","11.0786","0.0008","18.9529","0.0014","6.699","0.0005","90","","90","","90","","1406.6","0.18","154","","154","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Diaquadi-μ-hydroxido-tris[trimethyltin(IV)] diformatotrimethylstannate(IV)","","- C7 H22 O4 Sn2 -","- C7 H22 O4 Sn2 -","- C28 H88 O16 Sn8 -","4","1","","Otte, Felix; Koller, Stephan G.; Golz, Christopher; Strohmann, Carsten","Crystal structures of diaquadi-μ-hydroxido-tris[trimethyltin(IV)] diformatotrimethylstannate(IV) and di-μ-hydroxido-tris[trimethyltin(IV)] chloride monohydrate","Acta Crystallographica Section E","2016","72","10","1499","1502","10.1107/S2056989016014912","","","0.71073","MoKα","","0.0152","0.0135","","","0.0262","0.0266","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","186858","2020-10-21","18:00:00",""
"2241865","12.623","0.003","8.2675","0.0018","18.421","0.005","90","","90","","90","","1922.4","0.8","100.02","","100.02","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Di-μ-hydroxido-tris[trimethyltin(IV)] chloride monohydrate","","- C9 H31 Cl O3 Sn3 -","- C9 H31 Cl O3 Sn3 -","- C36 H124 Cl4 O12 Sn12 -","4","1","","Otte, Felix; Koller, Stephan G.; Golz, Christopher; Strohmann, Carsten","Crystal structures of diaquadi-μ-hydroxido-tris[trimethyltin(IV)] diformatotrimethylstannate(IV) and di-μ-hydroxido-tris[trimethyltin(IV)] chloride monohydrate","Acta Crystallographica Section E","2016","72","10","1499","1502","10.1107/S2056989016014912","","","0.71073","MoKα","","0.024","0.0217","","","0.0491","0.0501","","","","","","1.061","","","","has coordinates,has Fobs","186858","2020-10-21","18:00:00",""
"2241866","19.5045","0.0015","7.5486","0.0005","14.9387","0.0011","90","","125.56","0.007","90","","1789.3","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Diaquabis(2-chloropyridine-κN)bis(thiocyanato-κN)nickel(II)","","- C12 H12 Cl2 N4 Ni O2 S2 -","- C12 H12 Cl2 N4 Ni O2 S2 -","- C48 H48 Cl8 N16 Ni4 O8 S8 -","4","0.5","WM5326","Suckert, Stefan; Jess, Inke; Näther, Christian","Crystal structure of diaquabis(2-chloropyridine-κN)bis(thiocyanato-κN)nickel(II)","Acta Crystallographica Section E","2016","72","10","1492","1494","10.1107/S2056989016015218","","","0.71073","MoKα","","0.0573","0.0492","","","0.1174","0.1226","","","","","","1.029","","","","has coordinates,has Fobs","186859","2020-10-21","18:00:00",""
"2241867","9.6621","0.0005","9.6621","0.0005","27.894","0.0017","90","","90","","90","","2604.1","0.2","200","2","200","2","","","","","","","","4","P 41","P 4w","76","","Dimethylammonium 2,4,5-tricarboxybenzoate","","- C12 H13 N O8 -","- C12 H13 N O8 -","- C96 H104 N8 O64 -","8","2","SJ5505","Hulushe, S. T.; Hosten, E. C.; Watkins, G. M.","Dimethylammonium 2,4,5-tricarboxybenzoate: an example of the decarbonylation of N,N-dimethylformamide in the presence of a metal and a benzenepolycarboxylic acid. Is zirconium(IV) the Tsotsi?","Acta Crystallographica Section E","2016","72","11","1521","1525","10.1107/S2056989016014948","","","0.71073","MoKα","","0.0482","0.0455","","","0.1322","0.1338","","","","","","1.147","","","","has coordinates,has Fobs","186912","2020-10-21","18:00:00",""
"2241868","11.3604","0.0002","11.5688","0.0002","23.22","0.0003","103.707","0.001","90.409","0.001","93.654","0.001","2958","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis(tetrabutylammonium) di-μ~3~-chlorido-tris(μ-4-iodopyrazolato-κ^2^N:N')tris[chloridocuprate(II)] 1,4-dioxane hemisolvate","","- C43 H82 Cl5 Cu3 I3 N8 O -","- C43 H82 Cl5 Cu3 I3 N8 O -","- C86 H164 Cl10 Cu6 I6 N16 O2 -","2","1","GK2666","Surmann, Stuart A.; Mezei, Gellert","Halogen-bonded network of trinuclear copper(II) 4-iodopyrazolate complexes formed by mutual breakdown of chloroform and nanojars","Acta Crystallographica Section E","2016","72","11","1517","1520","10.1107/S205698901601536X","","","0.71073","MoKα","","0.0705","0.054","","","0.1391","0.1532","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","186914","2020-10-21","18:00:00",""
"2241869","9.93297","0.00007","13.7239","0.0001","18.0794","0.00013","90","","92.838","0.0006","90","","2461.54","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[μ-N,N',N'',N'''-tetraisopropyl-1-(1-butylamidinato)guanidinato-κ^3^N^1^,N^2^:N^2^]bis[(tetrahydrofuran)lithium]","","- C44 H90 Li2 N8 O2 -","- C44 H90 Li2 N8 O2 -","- C88 H180 Li4 N16 O4 -","2","0.5","ZL2679","Sroor, Farid M.; Liebing, Phil; Hrib, Cristian G.; Gräsing, Daniel; Hilfert, Liane; Edelmann, Frank T.","Formation and structure of the first metal complexes comprising amidinoguanidinate ligands","Acta Crystallographica Section E","2016","72","11","1526","1531","10.1107/S2056989016015322","","","1.54184","CuKα","","0.0399","0.0361","","","0.0932","0.0964","","","","","","1.046","","","","has coordinates,has Fobs","186915","2020-10-21","18:00:00",""
"2241870","12.909","0.003","15.095","0.003","16.786","0.003","100.67","0.03","97.2","0.03","109.5","0.03","2967.5","1.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","[Bis(tetrahydrofuran)lithium]-di-μ-chlorido-{(N,N'-dicyclohexyl-1-butylamidinato-κ^2^N^1^,N^2^)[N,N',N'',N'''-tetracyclohexyl-1-(1-butylamidinato)guanidinato-κ^2^N^1^,N^2^]holmate(III)}","","- C55 H100 Cl2 Ho Li N6 O2 -","- C55 H100 Cl2 Ho Li N6 O2 -","- C110 H200 Cl4 Ho2 Li2 N12 O4 -","2","1","","Sroor, Farid M.; Liebing, Phil; Hrib, Cristian G.; Gräsing, Daniel; Hilfert, Liane; Edelmann, Frank T.","Formation and structure of the first metal complexes comprising amidinoguanidinate ligands","Acta Crystallographica Section E","2016","72","11","1526","1531","10.1107/S2056989016015322","","","0.71073","MoKα","","0.0794","0.0476","","","0.0682","0.074","","","","","","0.911","","","","has coordinates,has disorder,has Fobs","186915","2020-10-21","18:00:00",""
"2241871","16.319","0.006","6.024","0.002","7.745","0.003","90","","99.524","0.005","90","","750.9","0.5","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Chloroindanone","6-Chloroindan-1-one","","- C9 H7 Cl O -","- C9 H7 Cl O -","- C36 H28 Cl4 O4 -","4","1","SJ5508","Caruso, Alessio; Blair, Benjamin; Tanski, Joseph M.","Crystal structures of 6-chloroindan-1-one and 6-bromoindan-1-one exhibit different intermolecular packing interactions","Acta Crystallographica Section E","2016","72","11","1536","1540","10.1107/S2056989016015371","","","0.71073","MoKα","","0.0317","0.0299","","","0.0819","0.0833","","","","","","1.081","","","","has coordinates,has Fobs","187004","2020-10-21","18:00:00",""
"2241872","6.489","0.002","17.101","0.006","7.224","0.003","90","","102.964","0.005","90","","781.2","0.5","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Bromoindanone","6-Bromoindan-1-one","","- C9 H7 Br O -","- C9 H7 Br O -","- C36 H28 Br4 O4 -","4","1","SJ5508","Caruso, Alessio; Blair, Benjamin; Tanski, Joseph M.","Crystal structures of 6-chloroindan-1-one and 6-bromoindan-1-one exhibit different intermolecular packing interactions","Acta Crystallographica Section E","2016","72","11","1536","1540","10.1107/S2056989016015371","","","0.71073","MoKα","","0.0416","0.03","","","0.1144","0.1515","","","","","","1.03","","","","has coordinates,has Fobs","187004","2020-10-21","18:00:00",""
"2241873","16.0785","0.001","5.7927","0.0005","8.9262","0.0007","90","","107.542","0.004","90","","792.71","0.11","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","Pentastrontium tetrakis[oxotellurate(IV)] dihydroxide","","- H2 O14 Sr5 Te4 -","- H2 O14 Sr5 Te4 -","- H4 O28 Sr10 Te8 -","2","0.5","HB7619","Weil, Matthias; Shirkhanlou, Mahdi","Crystal structure of Sr~5~Te~4~O~12~(OH)~2~, the first basic strontium oxotellurate(IV)","Acta Crystallographica Section E","2016","72","11","1532","1535","10.1107/S2056989016015577","","","0.71073","MoKα","","0.0816","0.0418","","","0.075","0.0851","","","","","","1.019","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2241874","6.1456","0.0003","5.6385","0.0002","28.2561","0.001","90","","94.147","0.002","90","","976.57","0.07","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","1-Carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium bromide 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate","","- C18 H23 Br N2 O8 -","- C18 H23 Br N2 O8 -","- C36 H46 Br2 N4 O16 -","2","0.5","","Kathiravan, Perumal; Balakrishnan, Thangavelu; Venkatesan, Perumal; Ramamurthi, Kandasamy; Percino, María Judith; Thamotharan, Subbiah","Crystal structure and Hirshfeld surface analysis of 1-carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium bromide 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate","Acta Crystallographica Section E","2016","72","11","1544","1548","10.1107/S2056989016015425","","","0.71073","MoKα","","0.0329","0.026","","","0.0549","0.0562","","","","","","0.972","","","","has coordinates,has Fobs","187006","2020-10-21","18:00:00",""
"2241875","10.547","0.004","17.317","0.006","7.592","0.003","90","","90","","90","","1386.6","0.9","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","rac-2,3-Diphenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one 1-oxide","","- C16 H15 N O2 S -","- C16 H15 N O2 S -","- C64 H60 N4 O8 S4 -","4","1","GK2665","Yennawar, Hemant P.; Yang, Ziwei; Silverberg, Lee J.","Crystal structure of rac-2,3-diphenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one 1-oxide","Acta Crystallographica Section E","2016","72","11","1541","1543","10.1107/S2056989016015395","","","0.71073","MoKα","","0.0801","0.0746","","","0.1587","0.1612","","","","","","1.264","","","","has coordinates,has Fobs","187007","2020-10-21","18:00:00",""
"2241876","4.6834","0.0002","12.9567","0.0007","16.113","0.0008","90","","90","","90","","977.76","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(2-Bromoethyl)indoline-2,3-dione","","- C10 H8 Br N O2 -","- C10 H8 Br N O2 -","- C40 H32 Br4 N4 O8 -","4","1","","Sharmila, N.; Sundar, T. V.; Sathish, G.; Venkatesan, P.","Crystal and geometry-optimized structure, and Hirshfeld surface analysis of 1-(2-bromoethyl)indoline-2,3-dione","Acta Crystallographica Section E","2016","72","11","1569","1573","10.1107/S2056989016015760","","","0.71073","MoKα","","0.1384","0.0549","","","0.0697","0.0838","","","","","","1.016","","","","has coordinates,has Fobs","187274","2020-10-21","18:00:00",""
"2241877","7.294","0.0015","10.738","0.002","10.845","0.002","114.1","0.03","102.46","0.03","97.57","0.03","733.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(5RS)-(Z)-4-[5-(Furan-2-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobut-2-enoic acid","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C34 H28 N4 O8 -","2","1","XU5892","Borisova, Kseniya K.; Toze, Flavien A. A.; Yagafarov, Nniyaz Z.; Zubkov, Fedor I.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structures of (5RS)-(Z)-4-[5-(furan-2-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobut-2-enoic acid and (5RS)-(Z)-4-[5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobut-2-enoic acid","Acta Crystallographica Section E","2016","72","11","1557","1561","10.1107/S2056989016013992","","","0.9699","synchrotron","","0.0916","0.0754","","","0.1798","0.1989","","","","","","1.039","","","","has coordinates,has Fobs","187275","2020-10-21","18:00:00",""
"2241878","9.6702","0.0019","13.15","0.003","11.24","0.002","90","","98.29","0.03","90","","1414.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(5RS)-(Z)-4-[5-(Furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobut-2-enoic acid","","- C15 H12 N2 O4 S -","- C15 H12 N2 O4 S -","- C60 H48 N8 O16 S4 -","4","1","XU5892","Borisova, Kseniya K.; Toze, Flavien A. A.; Yagafarov, Nniyaz Z.; Zubkov, Fedor I.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structures of (5RS)-(Z)-4-[5-(furan-2-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobut-2-enoic acid and (5RS)-(Z)-4-[5-(furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobut-2-enoic acid","Acta Crystallographica Section E","2016","72","11","1557","1561","10.1107/S2056989016013992","","","0.9699","synchrotron","","0.0496","0.0448","","","0.114","0.1185","","","","","","1.047","","","","has coordinates,has Fobs","187275","2020-10-21","18:00:00",""
"2241879","8.8337","0.0003","12.424","0.0004","12.9995","0.0004","94.357","0.001","99.607","0.001","107.27","0.001","1331.28","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-4-nitrobenzoato-κ^2^O:O')bis[bis(4-methylpyridine-κN)(4-nitrobenzoato-κ^2^O,O')manganese(II)]","","- C52 H44 Mn2 N8 O16 -","- C52 H44 Mn2 N8 O16 -","- C52 H44 Mn2 N8 O16 -","1","0.5","VN2116","Bharali, Sourav J.; Bora, Sanchay J.; Das, Birinchi K.","Crystal structure of bis(μ-4-nitrobenzoato-κ^2^O:O')bis[bis(4-methylpyridine-κN)(4-nitrobenzoato-κ^2^O,O')manganese(II)]","Acta Crystallographica Section E","2016","72","11","1549","1553","10.1107/S2056989016015589","","","0.71073","MoKα","","0.0437","0.0358","","","0.1012","0.1095","","","","","","1.033","","","","has coordinates,has Fobs","187276","2020-10-21","18:00:00",""
"2241880","12.1179","0.0004","5.7243","0.0002","15.3275","0.0005","90","","94.881","0.003","90","","1059.36","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Oxo-2H-chromen-3-yl propanoate","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Ziki, Eric; Yoda, Jules; Djandé, Abdoulaye; Saba, Adama; Kakou-Yao, Rita","Crystal structure of 2-oxo-2H-chromen-3-yl propanoate","Acta Crystallographica Section E","2016","72","11","1562","1564","10.1107/S2056989016015279","","","1.54184","CuKα","","0.0442","0.0382","","","0.1101","0.1168","","","","","","1.062","","","","has coordinates,has Fobs","187277","2020-10-21","18:00:00",""
"2241881","11.723","0.015","12.967","0.016","16.06","0.02","108.302","0.013","98.665","0.012","103.284","0.013","2189","5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","Bis[μ-1,4-bis(diphenylphosphanyl)butane-κ^2^P:P']bis[(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^N,N')copper(I)] bis(hexafluoridophosphate) dichloromethane disolvate","","- C90 H92 Cl4 Cu2 F12 N4 P6 -","- C90 H92 Cl4 Cu2 F12 N4 P6 -","- C90 H92 Cl4 Cu2 F12 N4 P6 -","1","0.5","RZ5194","Nishikawa, Michihiro; Mutsuura, Kotaro; Tsubomura, Taro","Crystal structure of bis[μ-1,4-bis(diphenylphosphanyl)butane-κ^2^P:P']bis[(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^N,N')copper(I)] bis(hexafluoridophosphate) dichloromethane disolvate","Acta Crystallographica Section E","2016","72","11","1554","1556","10.1107/S2056989016015553","","","0.71073","MoKα","","","0.0717","","","","0.1688","","","","","","1.093","","","","has coordinates,has Fobs","187278","2020-10-21","18:00:00",""
"2241882","16.4048","0.0006","16.4048","0.0006","16.4048","0.0006","90","","90","","90","","4414.8","0.3","294","","294","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Henicosalanthanum octachromium alumimium hexagermanium dodecacarbide","","- C12 Al0.758 Cr7.556 Ge6.242 La21 -","- C12 Al0.758 Cr7.552 Ge6.242 La21 -","- C48 Al3.032 Cr30.208 Ge24.968 La84 -","4","0.0208333","PK2592","Pabla, Jaskarun; Janssen, Yuri; Simonson, Jack W.","Synthesis and crystal structure of La~21~Cr~8{-~2a}Al~b~Ge~7{-~b}C~12~ [a = 0.22(2) and b = 0.758(19)]","Acta Crystallographica Section E","2016","72","11","1565","1568","10.1107/S2056989016015668","","","0.71073","MoKα","","0.0127","0.0119","","","0.0447","0.0452","","","","","","1.91","","","","has coordinates,has Fobs","201219","2020-10-21","18:00:00",""
"2241883","10.197","0.0007","18.6174","0.0012","7.5136","0.0005","90","","90","","90","","1426.39","0.16","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl 1-allyl-4-methyl-1H-benzo[c][1,2]thiazine-3-carboxylate 2,2-dioxide","","- C14 H15 N O4 S -","- C14 H15 N O4 S -","- C56 H60 N4 O16 S4 -","4","1","","Azotla-Cruz, Liliana; Shishkina, Svitlana; Ukrainets, Igor; Lijanova, Irina; Likhanova, Natalya","Crystal structure of methyl 1-allyl-4-methyl-1H-benzo[c][1,2]thiazine-3-carboxylate 2,2-dioxide","Acta Crystallographica Section E","2016","72","11","1574","1576","10.1107/S2056989016015978","","","0.71073","MoKα","","0.0509","0.0437","","","0.1137","0.1195","","","","","","1.05","","","","has coordinates,has Fobs","187343","2020-10-21","18:00:00",""
"2241884","22.233","0.012","9.566","0.005","16.017","0.008","90","","123.78","0.03","90","","2831","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')(peroxodisulfato-κ^2^O,O')cadmium(II)","","- C28 H24 Cd N4 O8 S2 -","- C28 H24 Cd N4 O8 S2 -","- C112 H96 Cd4 N16 O32 S8 -","4","0.5","RZ5195","Harvey, Miguel Angel; Suarez, Sebastián; Baggio, Ricardo","Three phenanthroline‒metal complexes with topologically similar but geometrically different conformations","Acta Crystallographica Section E","2016","72","11","1581","1586","10.1107/S2056989016016029","","","0.71073","MoKα","","0.0309","0.0273","","","0.0707","0.0728","","","","","","1.114","","","","has coordinates,has Fobs","187402","2020-10-21","18:00:00",""
"2241885","15.6244","0.0002","10.8803","0.0002","17.9446","0.0003","90","","90","","90","","3050.55","0.09","294","2","294","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(3,4,7,8-tetramethy-1,10-phenanthroline-κ^2^N,N')(peroxodisulfato-κ^2^O,O')zinc(II)","","- C32 H32 N4 O8 S2 Zn -","- C32 H32 N4 O8 S2 Zn -","- C128 H128 N16 O32 S8 Zn4 -","4","0.5","RZ5195","Harvey, Miguel Angel; Suarez, Sebastián; Baggio, Ricardo","Three phenanthroline‒metal complexes with topologically similar but geometrically different conformations","Acta Crystallographica Section E","2016","72","11","1581","1586","10.1107/S2056989016016029","","","0.71073","MoKα","","0.0442","0.0332","","","0.0851","0.0923","","","","","","1.037","","","","has coordinates,has Fobs","187402","2020-10-21","18:00:00",""
"2241886","8.601","0.003","11.063","0.004","16.932","0.005","98.788","0.005","97.713","0.005","97.943","0.005","1557","0.9","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Bis(3,4,7,8-tetramethy-1,10-phenanthroline-κ^2^N,N')(peroxodisulfato-κ^2^O,O')cadmium(II)","","- C32 H32 Cd N4 O8 S2 -","- C32 H32 Cd N4 O8 S2 -","- C64 H64 Cd2 N8 O16 S4 -","2","1","RZ5195","Harvey, Miguel Angel; Suarez, Sebastián; Baggio, Ricardo","Three phenanthroline‒metal complexes with topologically similar but geometrically different conformations","Acta Crystallographica Section E","2016","72","11","1581","1586","10.1107/S2056989016016029","","","0.71069","MoKα","","0.0451","0.0333","","","0.0659","0.0712","","","","","","1.071","","","","has coordinates,has Fobs","187402","2020-10-21","18:00:00",""
"2241887","14.2527","0.0008","4.7524","0.0003","17.6489","0.0011","90","","103.538","0.004","90","","1162.22","0.12","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","olivetolic acid","2,4-Dihydroxy-6-pentylbenzoic acid","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","HB7614","Ismed, Friardi; Farhan, Aulia; Bakhtiar, Amri; Zaini, Erizal; Nugraha, Yuda Prasetya; Dwichandra Putra, Okky; Uekusa, Hidehiro","Crystal structure of olivetolic acid: a natural product from Cetrelia sanguinea (Schaer.)","Acta Crystallographica Section E","2016","72","11","1587","1589","10.1107/S2056989016016273","","","1.54186","CuKα","","0.0497","0.0446","","","0.1293","0.1359","","","","","","1.135","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2241888","6.6731","0.0004","9.8806","0.0006","21.4108","0.001","83.992","0.004","82.81","0.004","87.508","0.005","1392.25","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(E)-[Diazene-1,2-diylbis(3,1-phenylene)]bis(dimethylsilanol)","","- C16 H22 N2 O2 Si2 -","- C16 H22 N2 O2 Si2 -","- C48 H66 N6 O6 Si6 -","3","1.5","WM5327","Strüben, Jan; Hoffmann, Jonas; Presa-Soto, David; Näther, Christian; Staubitz, Anne","Crystal structures of 3,3'-bis(hydroxydimethylsilanyl)azobenzene and 4,4'-bis(hydroxydimethylsilane)azobenzene","Acta Crystallographica Section E","2016","72","11","1590","1594","10.1107/S2056989016016297","","","0.71073","MoKα","","0.0758","0.0503","","","0.1139","0.1262","","","","","","1.034","","","","has coordinates,has Fobs","187404","2020-10-21","18:00:00",""
"2241889","17.8705","0.0004","10.0016","0.0003","20.5323","0.0005","90","","97.013","0.002","90","","3642.36","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-[Diazene-1,2-diylbis(4,1-phenylene)]bis(dimethylsilanol)","","- C16 H22 N2 O2 Si2 -","- C16 H22 N2 O2 Si2 -","- C128 H176 N16 O16 Si16 -","8","2","WM5327","Strüben, Jan; Hoffmann, Jonas; Presa-Soto, David; Näther, Christian; Staubitz, Anne","Crystal structures of 3,3'-bis(hydroxydimethylsilanyl)azobenzene and 4,4'-bis(hydroxydimethylsilane)azobenzene","Acta Crystallographica Section E","2016","72","11","1590","1594","10.1107/S2056989016016297","","","0.71073","MoKα","","0.0463","0.0374","","","0.0917","0.0958","","","","","","1.042","","","","has coordinates,has Fobs","187404","2020-10-21","18:00:00",""
"2241890","9.0947","0.0002","31.0133","0.0006","7.1934","0.0001","90","","90","","90","","2028.95","0.07","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","catena-Poly[[(N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide-κN^1^)silver(I)]-μ-nitrato-κ^3^O,O':O]","","- C16 H22 Ag N5 O6 S -","- C16 H22 Ag N5 O6 S -","- C64 H88 Ag4 N20 O24 S4 -","4","1","","Park, Hyunjin; Kwon, Eunjin; Yoon, Il; Kim, Jineun","Crystal structure of catena-poly[[(N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide-κN^1^)silver(I)]-μ-nitrato-κ^3^O,O':O]","Acta Crystallographica Section E","2016","72","11","1610","1613","10.1107/S2056989016016662","","","0.71073","MoKα","","0.0345","0.0295","","","0.0515","0.0533","","","","","","0.983","","","","has coordinates,has Fobs","187489","2020-10-21","18:00:00",""
"2241891","12.816","0.005","6.371","0.003","10.439","0.004","90","","90","","90","","852.4","0.6","215","2","215","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N,N,N-Triethylhydroxylammonium chloride","","- C6 H16 Cl N O -","- C6 H16 Cl N O -","- C24 H64 Cl4 N4 O4 -","4","1","HB7617","Averkiev, Boris B.; Valencia, Bianca C.; Getmanenko, Yulia A.; Timofeeva, Tatiana V.","Crystal structure of N,N,N-triethylhydroxylammonium chloride","Acta Crystallographica Section E","2016","72","11","1607","1609","10.1107/S2056989016016169","","","0.71073","MoKα","","0.0209","0.0206","","","0.056","0.0563","","","","","","1.039","","","","has coordinates,has Fobs","187490","2020-10-21","18:00:00",""
"2241892","11.3275","0.0006","13.9365","0.0007","17.6082","0.0009","90","","99.028","0.001","90","","2745.3","0.2","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","di[(μ-bromo)(η^5^-2-dimethylaminoindenyl)dibromozirconium(IV)]","Di-μ-bromido-bis{dibromido[η^5^-2-(dimethylamino)indenyl]zirconium(IV)}","","- C22 H24 Br6 N2 Zr2 -","- C22 H24 Br6 N2 Zr2 -","- C88 H96 Br24 N8 Zr8 -","4","1","","Medvedev, Michael G.; Borisov, Ilya S.; Kulyabin, Pavel S.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.","Crystal structures of di-μ-bromido-bis{dibromido[η^5^-2-(dimethylamino)indenyl]zirconium(IV)} and dibromidobis[η^5^-2-(dimethylamino)indenyl]zirconium(IV)","Acta Crystallographica Section E","2016","72","11","1599","1602","10.1107/S2056989016016595","","","0.71073","MoKα","","0.0473","0.0327","","","0.0696","0.075","","","","","","1.039","","","","has coordinates","187491","2020-10-21","18:00:00",""
"2241893","18.4476","0.0005","8.3497","0.0002","14.3737","0.0004","90","","111.854","0.001","90","","2054.9","0.09","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(η^5^-2-dimethylaminoindenyl)dibromozirconium(IV)","Dibromidobis[η^5^-2-(dimethylamino)indenyl]zirconium(IV)#","","- C22 H24 Br2 N2 Zr -","- C22 H24 Br2 N2 Zr -","- C88 H96 Br8 N8 Zr4 -","4","0.5","","Medvedev, Michael G.; Borisov, Ilya S.; Kulyabin, Pavel S.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.","Crystal structures of di-μ-bromido-bis{dibromido[η^5^-2-(dimethylamino)indenyl]zirconium(IV)} and dibromidobis[η^5^-2-(dimethylamino)indenyl]zirconium(IV)","Acta Crystallographica Section E","2016","72","11","1599","1602","10.1107/S2056989016016595","","","0.71073","MoKα","","0.0161","0.015","","","0.0382","0.0386","","","","","","1.072","","","","has coordinates","187491","2020-10-21","18:00:00",""
"2241894","23.9836","0.0019","7.3271","0.0006","22.6809","0.0017","90","","94.4257","0.0014","90","","3973.8","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","catena-Poly[bis(tetraethylammonium) [tetraaquatris(μ-dicyanamido-κ^2^N^1^:N^5^)bis(dicyanamido-κN^1^)dicobaltate(II)] dicyanamide]","","- C28 H48 Co2 N20 O4 -","- C28 H48 Co2 N20 O4 -","- C112 H192 Co8 N80 O16 -","4","1","WM5330","Liu, Chen; Thuijs, Annaliese E.; Abboud, Khalil A.","Crystal structure of catena-poly[bis(tetraethylammonium) [tetraaquatris(μ-dicyanamido-κ^2^N^1^:N^5^)bis(dicyanamido-κN^1^)dicobaltate(II)] dicyanamide]","Acta Crystallographica Section E","2016","72","11","1603","1606","10.1107/S2056989016016637","","","0.71073","MoKα","","0.0311","0.0279","","","0.0693","0.0704","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","187492","2020-10-21","18:00:00",""
"2241895","36.03","0.002","24.2248","0.0016","10.1301","0.0006","90","","90","","90","","8841.7","0.9","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2'-Benzoyl-1'-(4-methylphenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C448 H416 N32 O32 -","16","1","","Chandrarekha, M.; Srinivasan, N.; Kottala Vijaya, P.; Siva, A.; Krishnakumar, R. V.","Crystal structures of 2'-benzoyl-1'-(4-methylphenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one and 2'-(4-bromobenzoyl)-1'-(2-chlorophenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one","Acta Crystallographica Section E","2016","72","11","1637","1641","10.1107/S2056989016016741","","","0.71073","MoKα","","0.0701","0.0413","","","0.0967","0.1126","","","","","","0.984","","","","has coordinates","187561","2020-10-21","18:00:00",""
"2241896","10.728","0.0004","9.7793","0.0004","22.6746","0.0009","90","","98.972","0.001","90","","2349.74","0.16","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2'-(4-Bromobenzoyl)-1'-(2-chlorophenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one","","- C27 H22 Br Cl N2 O2 -","- C27 H22 Br Cl N2 O2 -","- C108 H88 Br4 Cl4 N8 O8 -","4","1","","Chandrarekha, M.; Srinivasan, N.; Kottala Vijaya, P.; Siva, A.; Krishnakumar, R. V.","Crystal structures of 2'-benzoyl-1'-(4-methylphenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one and 2'-(4-bromobenzoyl)-1'-(2-chlorophenyl)-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2-one","Acta Crystallographica Section E","2016","72","11","1637","1641","10.1107/S2056989016016741","","","0.71073","MoKα","","0.0635","0.0387","","","0.0957","0.1061","","","","","","1.032","","","","has coordinates","187561","2020-10-21","18:00:00",""
"2241897","19.464","0.002","5.9444","0.0007","17.2225","0.0019","90","","121.557","0.007","90","","1698","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,2-Bis(6-bromo-3,4-dihydro-2H-benz[e][1,3]oxazin-3-yl)ethane","","- C18 H18 Br2 N2 O2 -","- C18 H18 Br2 N2 O2 -","- C72 H72 Br8 N8 O8 -","4","0.5","SJ5510","Rivera, Augusto; Rojas, Jicli José'; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 1,2-bis(6-bromo-3,4-dihydro-2H-benz[e][1,3]oxazin-3-yl)ethane: a bromine-containing bis-benzoxazine","Acta Crystallographica Section E","2016","72","11","1645","1647","10.1107/S2056989016016509","","","0.71073","MoKα","","0.0626","0.0563","","","0.1386","0.1428","","","","","","1.065","","","","has coordinates,has Fobs","187562","2020-10-21","18:00:00",""
"2241898","6.1768","0.0003","5.4349","0.0003","28.7651","0.0016","90","","98.14","0.004","90","","955.92","0.09","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","1-Carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium chloride 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate","","- C18 H23 Cl N2 O8 -","- C18 H23 Cl N2 O8 -","- C36 H46 Cl2 N4 O16 -","2","0.5","SU5331","Kathiravan, Perumal; Balakrishnan, Thangavelu; Venkatesan, Perumal; Ramamurthi, Kandasamy; Percino, María Judith; Thamotharan, Subbiah","Crystal structure and Hirshfeld surface analysis of 1-carboxy-2-(3,4-dihydroxyphenyl)ethan-1-aminium chloride 2-ammonio-3-(3,4-dihydroxyphenyl)propanoate: a new polymorph of L-dopa HCl and isotypic with its bromide counterpart","Acta Crystallographica Section E","2016","72","11","1628","1632","10.1107/S2056989016016789","","","0.71073","MoKα","","0.0442","0.0348","","","0.088","0.0936","","","","","","1.049","","","","has coordinates,has Fobs","187563","2020-10-21","18:00:00",""
"2241899","17.161","0.003","7.2169","0.0014","11.678","0.002","90","","90","","90","","1446.3","0.5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","9-(Dibromomethyl)-1,1-difluoro-3,7-dimethyl-1H-[1,3,5,2]oxadiazaborinino[3,4-a][1,8]naphthyridin-11-ium-1-uide","","- C12 H10 B Br2 F2 N3 O -","- C12 H10 B Br2 F2 N3 O -","- C48 H40 B4 Br8 F8 N12 O4 -","4","0.5","WM5325","Wang, Bang Zhong; Zhou, Jun Ping; Zhou, Yong; Luo, Jian Song; Chi, Shao Ming","Crystal structure of 9-(dibromomethyl)-1,1-difluoro-3,7-dimethyl-1H-[1,3,5,2]oxadiazaborinino[3,4-a][1,8]naphthyridin-11-ium-1-uide","Acta Crystallographica Section E","2016","72","11","1642","1644","10.1107/S2056989016016704","","","0.71073","MoKα","","0.122","0.0535","","","0.0985","0.1196","","","","","","0.954","","","","has coordinates,has Fobs","187564","2020-10-21","18:00:00",""
"2241900","9.5317","0.0002","15.8217","0.0005","16.298","0.0005","85.926","0.002","77.418","0.002","83.003","0.002","2378.46","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium 2-hydroxy-2-phenylacetate hemihydrate","","- C50 H50 F12 N4 O9 -","- C50 H50 F12 N4 O9 -","- C100 H100 F24 N8 O18 -","2","1","HB7620","Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structure and Hirshfeld surface analysis of 2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium 2-hydroxy-2-phenylacetate hemihydrate","Acta Crystallographica Section E","2016","72","11","1618","1627","10.1107/S2056989016016492","","","0.71073","MoKα","","0.1274","0.077","","","0.1844","0.2141","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","187567","2020-10-21","18:00:00",""
"2241901","14.4357","0.0009","14.4357","0.0009","6.0404","0.0005","90","","90","","120","","1090.11","0.13","123","2","123","2","","","","","","","","3","P 31","P 31","144","","2,4-Di-tert-butyl-6-(hydroxymethyl)phenol","","- C15 H24 O2 -","- C15 H24 O2 -","- C45 H72 O6 -","3","1","LH5825","Aranburu Leiva, Ane I.; Benjamin, Sophie L.; Langley, Stuart K.; Mewis, Ryan E.","Crystal structure of 2,4-di-tert-butyl-6-(hydroxymethyl)phenol","Acta Crystallographica Section E","2016","72","11","1614","1617","10.1107/S2056989016016753","","","0.71073","MoKα","","0.0455","0.0416","","","0.0877","0.0893","","","","","","1.082","","","","has coordinates,has Fobs","187568","2020-10-21","18:00:00",""
"2241902","5.9495","0.0003","27.6927","0.0008","11.9402","0.0005","90","","92.585","0.003","90","","1965.24","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3,6,8-Tetraazatricyclo[4.3.1.1^3,8^]undecane‒4-chlorophenol (1/2)","","- C19 H24 Cl2 N4 O2 -","- C19 H24 Cl2 N4 O2 -","- C76 H96 Cl8 N16 O8 -","4","1","SJ5511","Rivera, Augusto; Rojas, Jicli José; Osorio, Héctor Jairo; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of the 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecane (TATU) and 4-chlorophenol (1/2)","Acta Crystallographica Section E","2016","72","11","1648","1650","10.1107/S2056989016016546","","","0.71073","MoKα","","0.0415","0.0402","","","0.1079","0.1091","","","","","","1.089","","","","has coordinates,has Fobs","187569","2020-10-21","18:00:00",""
"2241903","16.3875","0.0002","16.6136","0.0002","14.7959","0.0002","90","","90.654","0.001","90","","4028","0.09","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(μ~2~-4,4'-bipyridine)(μ~2~-hexafluoridosilicato)copper(II)] 4,4'-bipyridine disolvate pentahydrate]","","- C40 H42 Cu F6 N8 O5 Si -","- C40 H42 Cu F6 N8 O5 Si -","- C160 H168 Cu4 F24 N32 O20 Si4 -","4","1","VN2118","Aubert, Emmanuel; Doudouh, Abdelatif; Peluso, Paola; Mamane, Victor","Channels with ordered water and bipyridine molecules in the porous coordination polymer {[Cu(SiF~6~)(C~10~H~8~N~2~)~2~]·2C~10~N~2~H~8~·5H~2~O}~n~","Acta Crystallographica Section E","2016","72","11","1654","1658","10.1107/S2056989016016686","","","1.54184","CuKα","","0.038","0.0356","","","0.1051","0.11","","","","","","1.062","","","","has coordinates,has Fobs","187570","2020-10-21","18:00:00",""
"2241904","13.9545","0.0008","6.7004","0.0004","19.5031","0.0011","90","","96.424","0.001","90","","1812.1","0.18","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis[chloridobis(1,2-dimethyl-5-nitro-1H-imidazole-κN^3^)copper(II)] acetonitrile disolvate","","- C24 H34 Cl4 Cu2 N14 O8 -","- C20 H28 Cl4 Cu2 N12 O8 -","- C40 H56 Cl8 Cu4 N24 O16 -","2","0.5","LH5820","Quinlivan, Patrick J.; Upmacis, Rita K.","Crystal structure of di-μ-chlorido-bis[chloridobis(1,2-dimethyl-5-nitro-1H-imidazole-κN^3^)copper(II)] acetonitrile disolvate","Acta Crystallographica Section E","2016","72","11","1633","1636","10.1107/S2056989016015413","","","0.71073","MoKα","","0.0264","0.0236","","","0.0697","0.0709","","","","","","1.26","","","","has coordinates,has Fobs","187571","2020-10-21","18:00:00",""
"2241905","14.517","0.0008","7.6178","0.0004","22.1756","0.0011","90","","101.824","0.004","90","","2400.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3,6,8-Tetraazatricyclo[4.3.1.1^3,8^]undecane‒4-chloro-3,5-dimethylphenol (1/2)","","- C23 H32 Cl2 N4 O2 -","- C23 H32 Cl2 N4 O2 -","- C92 H128 Cl8 N16 O8 -","4","1","SJ5512","Rivera, Augusto; Rojas, Jicli José; Sadat-Bernal, John; Ríos-Motta, Jaime; Bolte, Michael","Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecane (TATU) and 4-chloro-3,5-dimethylphenol","Acta Crystallographica Section E","2016","72","11","1651","1653","10.1107/S2056989016016650","","","0.71073","MoKα","","0.0595","0.042","","","0.0936","0.0998","","","","","","1.034","","","","has coordinates,has Fobs","187572","2020-10-21","18:00:00",""
"2241906","11.259","0.004","7.2693","0.0017","14.758","0.004","90","","105.706","0.015","90","","1162.8","0.6","93","1","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1)","","- C28 H26 N2 O6 -","- C28 H26 N2 O6 -","- C56 H52 N4 O12 -","2","0.5","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of four co-crystals of (E)-1,2-di(pyridin-4-yl)ethene with 4-alkoxybenzoic acids: 4-methoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1), 4-ethoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1), 4-n-propoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1) and 4-n-butoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1)","Acta Crystallographica Section E","2016","72","11","1666","1671","10.1107/S2056989016017138","","","0.71075","MoKα","","0.0393","0.0365","","","0.097","0.0991","","","","","","1.101","","","","has coordinates,has Fobs","187659","2020-10-21","18:00:00",""
"2241907","10.873","0.003","11.197","0.004","12.921","0.004","82.399","0.013","66.241","0.01","62.207","0.011","1270.6","0.7","93","1","93","2","","","","","","","","4","P -1","-P 1","2","","4-Ethoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1)","","- C30 H30 N2 O6 -","- C30 H30 N2 O6 -","- C60 H60 N4 O12 -","2","1","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of four co-crystals of (E)-1,2-di(pyridin-4-yl)ethene with 4-alkoxybenzoic acids: 4-methoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1), 4-ethoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1), 4-n-propoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1) and 4-n-butoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1)","Acta Crystallographica Section E","2016","72","11","1666","1671","10.1107/S2056989016017138","","","0.71075","MoKα","","0.042","0.038","","","0.1066","0.1094","","","","","","1.085","","","","has coordinates,has Fobs","187659","2020-10-21","18:00:00",""
"2241908","11.1192","0.0018","10.8289","0.0013","23.02","0.003","90","","93.517","0.008","90","","2766.6","0.7","93","1","93","2","","","","","","","","4","P 1 c 1","P -2yc","7","","4-n-Propoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1)","","- C32 H34 N2 O6 -","- C32 H34 N2 O6 -","- C128 H136 N8 O24 -","4","2","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of four co-crystals of (E)-1,2-di(pyridin-4-yl)ethene with 4-alkoxybenzoic acids: 4-methoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1), 4-ethoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1), 4-n-propoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1) and 4-n-butoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1)","Acta Crystallographica Section E","2016","72","11","1666","1671","10.1107/S2056989016017138","","","0.71075","MoKα","","0.033","0.0321","","","0.0791","0.0795","","","","","","1.063","","","","has coordinates,has Fobs","187659","2020-10-21","18:00:00",""
"2241909","7.103","0.004","9.06","0.005","11.627","0.007","82.29","0.02","78.54","0.03","86.79","0.03","726.4","0.7","93","2","93","","","","","","","","","4","P -1","-P 1","2","","4-n-Butoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1)","","- C34 H38 N2 O6 -","- C34 H38 N2 O6 -","- C34 H38 N2 O6 -","1","0.5","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of four co-crystals of (E)-1,2-di(pyridin-4-yl)ethene with 4-alkoxybenzoic acids: 4-methoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1), 4-ethoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1), 4-n-propoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1) and 4-n-butoxybenzoic acid‒(E)-1,2-di(pyridin-4-yl)ethene (2/1)","Acta Crystallographica Section E","2016","72","11","1666","1671","10.1107/S2056989016017138","","","0.71075","MoKα","","0.0441","0.0406","","","0.1151","0.1182","","","","","","1.079","","","","has coordinates,has Fobs","187659","2020-10-21","18:00:00",""
"2241910","8.6557","0.0006","12.1432","0.0008","12.5842","0.0009","61.396","0.001","74.216","0.001","75.411","0.001","1105.83","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[dichlorido(μ-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^2^O^1^:O^4^)bis[μ-4'-(pyridin-3-yl)-4,2':6',4''-terpyridine-κ^2^N^1^:N^4'^]dizinc]","","- C25 H16 Cl N4 O4 Zn -","- C25 H16 Cl N4 O4 Zn -","- C50 H32 Cl2 N8 O8 Zn2 -","2","1","XU5893","Tian, Yue; Xu, Sha-Sha; Su, Jian; Zhang, Yang; Zhao, Shao-Shuai; Tian, Yu-Peng","Crystal structure of poly[dichlorido(μ-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^2^O^1^:O^4^)bis[μ-4'-(pyridin-3-yl)-4,2':6',4''-terpyridine-κ^2^N^1^:N^4'^]dizinc]","Acta Crystallographica Section E","2016","72","11","1663","1665","10.1107/S2056989016016285","","","0.71073","MoKα","","0.0336","0.0287","","","0.0772","0.0797","","","","","","1.067","","","","has coordinates,has Fobs","187660","2020-10-21","18:00:00",""
"2241911","9.2854","0.0002","7.59144","0.00018","19.4452","0.0005","90","","102.818","0.003","90","","1336.53","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Butylamino-3-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde","","- C14 H18 N4 O -","- C14 H18 N4 O -","- C56 H72 N16 O4 -","4","1","BG2597","Macías, Mario A.; Orrego-Hernández, Jessica; Portilla, Jaime","Crystal structure of 5-butylamino-3-methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carbaldehyde obtained from a microwave-assisted reaction using caesium carbonate as catalyst","Acta Crystallographica Section E","2016","72","11","1672","1674","10.1107/S2056989016017187","","","0.71073","MoKα","","0.0428","0.0373","","","0.1068","0.1102","","","","","","1.046","","","","has coordinates,has Fobs","187661","2020-10-21","18:00:00",""
"2241912","11.53","0.007","10.938","0.006","13.013","0.007","90","","115.614","0.007","90","","1479.9","1.5","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1',3',3'-Trimethylspiro[chromene-2,2'-indoline]","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","HB7609","Beckett, Joseph O. S.; Olmstead, Marilyn M.; Fettinger, James C.; Gray, David A.; Manabe, Shuhei; Mascal, Mark","Crystal structure determination as part of an undergraduate laboratory experiment: 1',3',3'-trimethylspiro[chromene-2,2'-indoline] and 1',3',3'-trimethyl-4-[(E)-(1,3,3-trimethylindolin-2-ylidene)methyl]spiro[chroman-2,2'-indoline]","Acta Crystallographica Section E","2016","72","11","1659","1662","10.1107/S2056989016016042","","","0.71073","MoKα","","0.0674","0.0502","","","0.1202","0.1391","","","","","","1.054","","","","has coordinates,has Fobs","187662","2020-10-21","18:00:00",""
"2241913","14.1774","0.0011","11.6019","0.0009","16.2847","0.0017","90","","115.613","0.0012","90","","2415.4","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1',3',3'-Trimethyl-4-[(E)-(1,3,3-trimethylindolin-2-ylidene)methyl]spiro[chroman-2,2'-indoline]","","- C31 H34 N2 O -","- C31 H34 N2 O -","- C124 H136 N8 O4 -","4","1","","Beckett, Joseph O. S.; Olmstead, Marilyn M.; Fettinger, James C.; Gray, David A.; Manabe, Shuhei; Mascal, Mark","Crystal structure determination as part of an undergraduate laboratory experiment: 1',3',3'-trimethylspiro[chromene-2,2'-indoline] and 1',3',3'-trimethyl-4-[(E)-(1,3,3-trimethylindolin-2-ylidene)methyl]spiro[chroman-2,2'-indoline]","Acta Crystallographica Section E","2016","72","11","1659","1662","10.1107/S2056989016016042","","","0.71073","MoKα","","0.0553","0.046","","","0.1172","0.1239","","","","","","1.029","","","","has coordinates,has Fobs","187662","2020-10-21","18:00:00",""
"2241914","8.7709","0.0012","6.9476","0.0009","14.529","0.0017","90","","90.966","0.012","90","","885.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3,5-lutidine N-oxide dihydrate","3,5-Dimethylpyridine N-oxide dihydrate","","- C7 H13 N O3 -","- C7 H13 N O3 -","- C28 H52 N4 O12 -","4","1","HB7624","Merino García, Rosario; Ríos-Merino, Francisco Javier; Bernès, Sylvain; Reyes-Ortega, Yasmi","Crystal structure of 3,5-dimethylpyridine N-oxide dihydrate","Acta Crystallographica Section E","2016","72","12","1687","1690","10.1107/S205698901601687X","","","0.71073","MoKα","","0.0959","0.0467","","","0.1113","0.1405","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","187743","2020-10-21","18:00:00",""
"2241915","11.2593","0.0005","7.5563","0.0002","13.0437","0.0006","90","","96.716","0.002","90","","1102.13","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethylazanium 2-amino-4-nitrobenzoate","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","1","HB7627","Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Two dialkylammonium salts of 2-amino-4-nitrobenzoic acid: crystal structures and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","12","1691","1699","10.1107/S2056989016017266","","","0.71073","MoKα","","0.061","0.043","","","0.1126","0.1246","","","","","","1.012","","","","has coordinates,has Fobs","187744","2020-10-21","18:00:00",""
"2241916","11.1615","0.0003","12.5172","0.0004","13.2399","0.0004","82.405","0.001","78.107","0.002","70.915","0.002","1706.36","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Dibutylazanium 2-amino-4-nitrobenzoate","","- C15 H25 N3 O4 -","- C15 H25 N3 O4 -","- C60 H100 N12 O16 -","4","2","HB7627","Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Two dialkylammonium salts of 2-amino-4-nitrobenzoic acid: crystal structures and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","12","1691","1699","10.1107/S2056989016017266","","","0.71073","MoKα","","0.1058","0.0619","","","0.1561","0.1804","","","","","","1.025","","","","has coordinates,has Fobs","187744","2020-10-21","18:00:00",""
"2241917","13.4014","0.0005","21.8127","0.001","18.2427","0.0006","90","","100.539","0.004","90","","5242.8","0.4","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Aquatris{μ-N-[bis(diethylamino)phosphoryl]-2,2,2-trichloroacetamidato-κ^3^O,O':O}calciumsodium","","- C30 H62 Ca Cl9 N9 Na O7 P3 -","- C30 H62 Ca Cl9 N9 Na O7 P3 -","- C120 H248 Ca4 Cl36 N36 Na4 O28 P12 -","4","1","BG2595","Shatrava, Iuliia; Gubina, Kateryna; Ovchynnikov, Vladimir; Dyakonenko, Viktoriya; Amirkhanov, Vladimir","Crystal structure of aquatris{μ-N-[bis(diethylamino)phosphoryl]-2,2,2-trichloroacetamidato-κ^3^O,O':O}calciumsodium","Acta Crystallographica Section E","2016","72","12","1683","1686","10.1107/S2056989016017035","","","0.71073","MoKα","","0.118","0.0633","","","0.1094","0.1307","","","","","","1.053","","","","has coordinates,has Fobs","187745","2020-10-21","18:00:00",""
"2241918","15.7497","0.0002","7.7375","0.0001","18.8126","0.0002","90","","90","","90","","2292.57","0.05","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Pentaamine dioxido uranium(V) nitrate ammoniate","Pentaammine dioxide uranium(V) nitrate ammonia monosolvate","","- H18 N7 O5 U -","- H18 N7 O5 U -","- H144 N56 O40 U8 -","8","1","WM5331","Woidy, Patrick; Kraus, Florian","Crystal structure of [UO~2~(NH~3~)~5~]NO~3~·NH~3~","Acta Crystallographica Section E","2016","72","12","1710","1713","10.1107/S2056989016016480","","","0.71073","MoKα","","0.0531","0.0329","","","0.0845","0.0895","","","","","","1.043","","","","has coordinates,has Fobs","187746","2020-10-21","18:00:00",""
"2241919","9.572","0.004","7.533","0.004","13.095","0.009","90","","103.06","0.04","90","","919.8","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Iodo-4-oxo-4H-chromene-3-carbaldehyde","","- C10 H5 I O3 -","- C10 H5 I O3 -","- C40 H20 I4 O12 -","4","1","ZL2682","Ishikawa, Yoshinobu","Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde","Acta Crystallographica Section E","2016","72","12","1724","1727","10.1107/S2056989016016972","","","0.71069","MoKα","","0.027","0.0208","","","0.0503","0.053","","","","","","1.062","","","","has coordinates,has Fobs","187829","2020-10-21","18:00:00",""
"2241920","8.3037","0.0002","14.3468","0.0003","18.4068","0.0005","70.594","0.001","78.139","0.001","85.356","0.001","2023.9","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","12-Ethyl-7-phenylsulfonyl-7H-benzofuro[2,3-b]carbazole","","- C26 H19 N O3 S -","- C26 H19 N O3 S -","- C104 H76 N4 O12 S4 -","4","2","SU5330","Gangadharan, Rajeswari; Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","Crystal structures of three carbazole derivatives: 12-ethyl-7-phenylsulfonyl-7H-benzofuro[2,3-b]carbazole, (1), 2-(4,5-dimethoxy-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde, (2), and 12-phenyl-7-phenylsulfonyl-7H-benzofuro[2,3-b]carbazole, (3)","Acta Crystallographica Section E","2016","72","12","1744","1750","10.1107/S2056989016016819","","","0.71073","MoKα","","0.0611","0.0455","","","0.1137","0.1247","","","","","","1.012","","","","has coordinates","187830","2020-10-21","18:00:00",""
"2241921","11.2133","0.0003","14.5811","0.0004","15.1509","0.0004","90","","102.32","0.001","90","","2420.16","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4,5-Dimethoxy-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde","","- C27 H20 N2 O8 S -","- C27 H20 N2 O8 S -","- C108 H80 N8 O32 S4 -","4","1","SU5330","Gangadharan, Rajeswari; Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","Crystal structures of three carbazole derivatives: 12-ethyl-7-phenylsulfonyl-7H-benzofuro[2,3-b]carbazole, (1), 2-(4,5-dimethoxy-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde, (2), and 12-phenyl-7-phenylsulfonyl-7H-benzofuro[2,3-b]carbazole, (3)","Acta Crystallographica Section E","2016","72","12","1744","1750","10.1107/S2056989016016819","","","0.71073","MoKα","","0.075","0.0469","","","0.1256","0.1504","","","","","","1.004","","","","has coordinates","187830","2020-10-21","18:00:00",""
"2241922","10.6461","0.001","11.8994","0.0011","18.2418","0.0016","90","","90","","90","","2310.9","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","12-Phenyl-7-phenylsulfonyl-7H-benzofuro[2,3-b]carbazole","","- C30 H19 N O3 S -","- C30 H19 N O3 S -","- C120 H76 N4 O12 S4 -","4","1","SU5330","Gangadharan, Rajeswari; Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","Crystal structures of three carbazole derivatives: 12-ethyl-7-phenylsulfonyl-7H-benzofuro[2,3-b]carbazole, (1), 2-(4,5-dimethoxy-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde, (2), and 12-phenyl-7-phenylsulfonyl-7H-benzofuro[2,3-b]carbazole, (3)","Acta Crystallographica Section E","2016","72","12","1744","1750","10.1107/S2056989016016819","","","0.71073","MoKα","","0.0933","0.0424","","","0.0841","0.1011","","","","","","0.997","","","","has coordinates","187830","2020-10-21","18:00:00",""
"2241923","10.4637","0.0002","8.1942","0.0002","11.2797","0.0002","90","","107.812","0.001","90","","920.78","0.03","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(pyridin-3-ylmethyl)cyclohexane-1,4-diammonium dichloride","","- C18 H26 Cl2 N4 -","- C18 H26 Cl2 N4 -","- C36 H52 Cl4 N8 -","2","0.5","","Moon, Suk-Hee; Im, Hansu; Kim, Tae Ho; Park, Ki-Min","Crystal structure of N,N'-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diammonium dichloride","Acta Crystallographica Section E","2016","72","12","1728","1730","10.1107/S2056989016017205","","","0.71073","MoKα","","0.0328","0.0304","","","0.0812","0.0829","","","","","","1.03","","","","has coordinates,has Fobs","187831","2020-10-21","18:00:00",""
"2241924","15.3519","0.0006","9.4005","0.0004","9.9702","0.0004","90","","106.954","0.001","90","","1376.32","0.1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","IS5461","Kubono, Koji; Kise, Ryuma; Kashiwagi, Yukiyasu; Tani, Keita; Yokoi, Kunihiko","Crystal structure of 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-chromen-2-one","Acta Crystallographica Section E","2016","72","12","1751","1753","10.1107/S2056989016017217","","","0.71075","MoKα","","0.1003","0.0424","","","0.1154","0.1622","","","","","","1.049","","","","has coordinates,has Fobs","187832","2020-10-21","18:00:00",""
"2241925","10.3419","0.0004","11.7885","0.0006","19.2267","0.0011","77.606","0.005","89.306","0.004","86.658","0.004","2285.5","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","Nonacyclo[14.6.6.6^5,12^.0^2,15^.0^4,13^.0^6,11^.0^17,22^.0^23,28^.0^29,34^]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29(34),30,32-tetradecaene-3,14-dione","5,7,12,14-Tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-dione","","- C34 H20 O2 -","- C34 H20 O2 -","- C136 H80 O8 -","4","2","","Nozari, Mohammad; Jasinski, Jerry P.; Kaur, Manpreet; Addison, Anthony W.; Arabi Shamsabadi, Ahmad; Soroush, Masoud","Crystal structure of 5,7,12,14-tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-dione","Acta Crystallographica Section E","2016","72","12","1734","1738","10.1107/S2056989016017461","","","1.54184","CuKα","","0.0704","0.0568","","","0.1485","0.1612","","","","","","1.05","","","","has coordinates,has Fobs","187833","2020-10-21","18:00:00",""
"2241926","19.1596","0.0015","21.0532","0.0016","16.5711","0.0013","90","","99.935","0.0008","90","","6584.1","0.9","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Di-μ-iodido-bis[({4-amino-1,5-bis[2,6-bis(propan-2-yl)phenyl]pent-3-en-2-ylidene}azanido-κ^2^N,N')magnesium(II] toluene sesquisolvate","","- C68.5 H94 I2 Mg2 N4 -","- C68.5 H94 I2 Mg2 N4 -","- C274 H376 I8 Mg8 N16 -","4","0.5","ZL2683","MacNeil, Connor S.; Johnson, Kevin R. D.; Hayes, Paul G.; Boeré, René T.","Crystal structure of a dimeric β-diketiminate magnesium complex","Acta Crystallographica Section E","2016","72","12","1754","1756","10.1107/S2056989016017394","","","0.71073","MoKα","","0.0339","0.0292","","","0.0837","0.0867","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","187834","2020-10-21","18:00:00",""
"2241927","7.9081","0.0003","5.8434","0.0003","37.4435","0.0016","90","","90","","90","","1730.27","0.13","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,3-Bis[(E)-4-methoxybenzylideneamino]propan-2-ol","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","HB7623","Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 1,3-bis[(E)-4-methoxybenzylideneamino]propan-2-ol","Acta Crystallographica Section E","2016","72","12","1731","1733","10.1107/S2056989016016947","","","0.71073","MoKα","","0.0505","0.0462","","","0.1198","0.1231","","","","","","1.01","","","","has coordinates,has Fobs","187835","2020-10-21","18:00:00",""
"2241928","23.283","0.003","7.2399","0.0009","14.2744","0.0016","90","","96.887","0.004","90","","2388.8","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[tetra-μ~2~-acetato-κ^8^O:O'-bis(μ~2~-benzene-1,2-diamine-κ^2^N:N')dicadmium]","","- C10 H14 Cd N2 O4 -","- C10 H14 Cd N2 O4 -","- C80 H112 Cd8 N16 O32 -","8","1","PJ2037","Geiger, David K.; Parsons, Dylan E.; Pagano, Bracco A.","Two cadmium coordination polymers with bridging acetate and phenylenediamine ligands that exhibit two-dimensional layered structures","Acta Crystallographica Section E","2016","72","12","1718","1723","10.1107/S2056989016017382","","","0.71073","MoKa","","0.0554","0.0375","","","0.0983","0.1094","","","","","","1.046","","","","has coordinates,has Fobs","187836","2020-10-21","18:00:00",""
"2241929","20.777","0.006","8.2374","0.0018","15.002","0.004","90","","102.583","0.009","90","","2505.9","1.1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[(μ~2~-acetato-κ^2^O:O')(acetato-κ^2^O,O')(μ~2~-benzene-1,3-diamine-κ^2^N:N')cadmium] hemihydrate]","","- C20 H30 Cd2 N4 O9 -","- C20 H30 Cd2 N4 O9 -","- C80 H120 Cd8 N16 O36 -","4","0.5","PJ2037","Geiger, David K.; Parsons, Dylan E.; Pagano, Bracco A.","Two cadmium coordination polymers with bridging acetate and phenylenediamine ligands that exhibit two-dimensional layered structures","Acta Crystallographica Section E","2016","72","12","1718","1723","10.1107/S2056989016017382","","","0.71073","MoKa","","0.0557","0.0371","","","0.0868","0.0954","","","","","","0.994","","","","has coordinates,has Fobs","187836","2020-10-21","18:00:00",""
"2241930","12.1347","0.0005","12.0708","0.0005","17.6391","0.0007","90","","108.617","0.002","90","","2448.5","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","12-(4-Nitrophenyl)-7-phenylsulfonyl-7H-benzofuro[2,3-b]carbazole","","- C30 H18 N2 O5 S -","- C30 H18 N2 O5 S -","- C120 H72 N8 O20 S4 -","4","1","SU5333","Swaminathan, K.; Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","Crystal structures of two new carbazole derivatives: 12-(4-nitrophenyl)-7-phenylsulfonyl-7H-benzofuro[2,3-b]carbazole and 2-methyl-4-(4-nitrophenyl)-9-phenylsulfonyl-9H-thieno[2,3-b]carbazole","Acta Crystallographica Section E","2016","72","12","1739","1743","10.1107/S2056989016016996","","","0.71073","MoKα","","0.0779","0.0425","","","0.1066","0.1312","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","187837","2020-10-21","18:00:00",""
"2241931","12.5052","0.0008","11.2594","0.0006","17.0731","0.0009","90","","102.914","0.002","90","","2343.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-4-(4-nitrophenyl)-9-phenylsulfonyl-9H-thieno[2,3-b]carbazole","","- C27 H18 N2 O4 S2 -","- C27 H18 N2 O4 S2 -","- C108 H72 N8 O16 S8 -","4","1","SU5333","Swaminathan, K.; Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","Crystal structures of two new carbazole derivatives: 12-(4-nitrophenyl)-7-phenylsulfonyl-7H-benzofuro[2,3-b]carbazole and 2-methyl-4-(4-nitrophenyl)-9-phenylsulfonyl-9H-thieno[2,3-b]carbazole","Acta Crystallographica Section E","2016","72","12","1739","1743","10.1107/S2056989016016996","","","0.71073","MoKα","","0.084","0.0549","","","0.1359","0.1628","","","","","","1.081","","","","has coordinates,has Fobs","187837","2020-10-21","18:00:00",""
"2241932","8.8764","0.0003","13.406","0.0005","15.2678","0.0006","80.466","0.0015","85.4332","0.0015","78.4602","0.0015","1753.48","0.11","105","2","105","2","","","","","","","","5","P -1","-P 1","2","Piroxicam‒gentisic acid (2/1)","4-Hydroxy-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ^6^,2-benzothiazine-3-carboxamide‒2-(4-oxido-1,1-dioxo-2H-1λ^6^,2-benzothiazine-3-amido)pyridin-1-ium‒2,5-dihydroxybenzoic acid","","- C37 H32 N6 O12 S2 -","- C37 H32 N6 O12 S2 -","- C74 H64 N12 O24 S4 -","2","1","HB7625","Horstman, Elizabeth M.; Bertke, Jeffery A.; Woods, Toby J.; Kenis, Paul J. A.","Crystal structure of a 2:1 piroxicam‒gentisic acid co-crystal featuring neutral and zwitterionic piroxicam molecules","Acta Crystallographica Section E","2016","72","12","1714","1717","10.1107/S2056989016017321","","","1.54178","CuKα","","0.0384","0.0334","","","0.0836","0.086","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","187838","2020-10-21","18:00:00",""
"2241933","11.683","0.002","8.594","0.002","20.083","0.004","90","","100.59","0.03","90","","1982.1","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(18-Crown-6)potassium acetate dihydrate","(Acetato-κ^2^O,O')(1,4,7,10,13,16-hexaoxacyclooctadecane-\ κ^6^O)potassium dihydrate","","- C14 H31 K O10 -","- C14 H31 K O10 -","- C56 H124 K4 O40 -","4","1","HB7621","Liebing, Phil; Zaeni, Ahmad; Olbrich, Falk; Edelmann, Frank T.","Crystal structures of two solvates of (18-crown-6)potassium acetate","Acta Crystallographica Section E","2016","72","12","1757","1761","10.1107/S2056989016017436","","","0.71073","MoKα","","0.0386","0.0305","","","0.0753","0.0795","","","","","","1.043","","","","has coordinates,has Fobs","188332","2020-10-21","18:00:00",""
"2241934","11.3233","0.0001","8.545","0.0001","23.3869","0.0003","90","","99.053","0.001","90","","2234.67","0.04","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Acetatoaqua(18-crown-6)potassium acetic acid monosolvate","(Acetato-κ^2^O,O')aqua(1,4,7,10,13,16-hexaoxacyclooctadecane-\ κ^6^O)potassium acetic acid monosolvate","","- C16 H33 K O11 -","- C16 H33 K O11 -","- C64 H132 K4 O44 -","4","1","","Liebing, Phil; Zaeni, Ahmad; Olbrich, Falk; Edelmann, Frank T.","Crystal structures of two solvates of (18-crown-6)potassium acetate","Acta Crystallographica Section E","2016","72","12","1757","1761","10.1107/S2056989016017436","","","0.71073","MoKα","","0.0581","0.0407","","","0.0949","0.1039","","","","","","1.046","","","","has coordinates,has Fobs","188332","2020-10-21","18:00:00",""
"2241935","4.0382","0.0001","8.9362","0.0004","12.1015","0.0004","90","","93.763","0.003","90","","435.76","0.03","296","1","296","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","4-Bromo-3,5-dimethylbenzonitrile","","","- C9 H8 Br N -","- C9 H8 Br N -","- C18 H16 Br2 N2 -","2","0.5","IS5462","Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain","Crystal structures of p-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} Z' {łeq} 4","Acta Crystallographica Section E","2016","72","12","1762","1767","10.1107/S2056989016017485","","","1.54184","CuKα","","0.0486","0.0443","","","0.1413","0.1471","","","","","","1.084","","","","has coordinates,has Fobs","188333","2020-10-21","18:00:00",""
"2241936","4.0502","0.0005","9.3817","0.0006","12.1823","0.0005","93.498","0.004","99.284","0.004","101.722","0.005","445.2","0.07","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","2-Bromo-1,3-dimethyl-5-nitrobenzene","","- C8 H8 Br N O2 -","- C8 H8 Br N O2 -","- C16 H16 Br2 N2 O4 -","2","1","IS5462","Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain","Crystal structures of p-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} Z' {łeq} 4","Acta Crystallographica Section E","2016","72","12","1762","1767","10.1107/S2056989016017485","","","1.54184","CuKα","","0.0495","0.0449","","","0.1215","0.1276","","","","","","1.069","","","","has coordinates,has Fobs","188333","2020-10-21","18:00:00",""
"2241937","10.48314","0.00015","6.10173","0.0001","26.6195","0.0005","90","","100.073","0.0016","90","","1676.48","0.05","296","1","296","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Bromo-3,5-dimethylaniline","","","- C8 H10 Br N -","- C8 H10 Br N -","- C64 H80 Br8 N8 -","8","2","IS5462","Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain","Crystal structures of p-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} Z' {łeq} 4","Acta Crystallographica Section E","2016","72","12","1762","1767","10.1107/S2056989016017485","","","1.54184","CuKα","","0.0614","0.0543","","","0.1563","0.1647","","","","","","1.108","","","","has coordinates,has Fobs","188333","2020-10-21","18:00:00",""
"2241938","14.65213","0.00017","17.952","0.0002","24.0079","0.0003","90","","90","","90","","6314.92","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Bromo-3,5-dimethylphenol","","- C8 H9 Br O -","- C8 H9 Br O -","- C256 H288 Br32 O32 -","32","4","IS5462","Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain","Crystal structures of p-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} Z' {łeq} 4","Acta Crystallographica Section E","2016","72","12","1762","1767","10.1107/S2056989016017485","","","1.54184","CuKα","","0.0323","0.0261","","","0.0625","0.0652","","","","","","1.021","","","","has coordinates,has Fobs","188333","2020-10-21","18:00:00",""
"2241939","7.406","0.004","9.042","0.004","11.719","0.005","80.42","0.017","81.03","0.02","87.66","0.03","764.3","0.6","93","1","93","2","","","","","","","","4","P -1","-P 1","2","","4-(n-Pentyloxy)benzoic acid‒(E)-1,2-bis(pyridin-4-yl)ethene (2/1)","","- C36 H42 N2 O6 -","- C36 H42 N2 O6 -","- C36 H42 N2 O6 -","1","0.5","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(n-pentyloxy)benzoic acid‒(E)-1,2-bis(pyridin-4-yl)ethene (2/1) and 4-(n-hexyloxy)benzoic acid‒(E)-1,2-bis(pyridin-4-yl)ethene (2/1)","Acta Crystallographica Section E","2016","72","12","1771","1775","10.1107/S2056989016017655","","","0.71075","MoKα","","0.0443","0.0416","","","0.1154","0.1178","","","","","","1.077","","","","has coordinates,has Fobs","188334","2020-10-21","18:00:00",""
"2241940","9.107","0.003","12.02","0.005","16.672","0.006","81.584","0.016","88.416","0.015","67.905","0.015","1672","1.1","93","1","93","2","","","","","","","","4","P -1","-P 1","2","","4-(n-Hexyloxy)benzoic acid‒(E)-1,2-bis(pyridin-4-yl)ethene","","- C38 H46 N2 O6 -","- C38 H46 N2 O6 -","- C76 H92 N4 O12 -","2","1","","Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(n-pentyloxy)benzoic acid‒(E)-1,2-bis(pyridin-4-yl)ethene (2/1) and 4-(n-hexyloxy)benzoic acid‒(E)-1,2-bis(pyridin-4-yl)ethene (2/1)","Acta Crystallographica Section E","2016","72","12","1771","1775","10.1107/S2056989016017655","","","0.71075","MoKα","","0.0601","0.0425","","","0.1027","0.1101","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","188334","2020-10-21","18:00:00",""
"2241941","19.8293","0.0003","8.6464","0.0001","18.1551","0.0003","90","","106.715","0.001","90","","2981.21","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","fac-[2-(4-Methyl-5-phenylpyridin-2-yl)phenyl-κ^2^C^1^,N]bis[2-(pyridin-2-yl)phenyl-κ^2^C^1^,N]iridium(III)","","- C40 H30 Ir N3 -","- C40 H30 Ir N3 -","- C160 H120 Ir4 N12 -","4","1","","Lee, Chi-Heon; Moon, Suk-Hee; Park, Ki-Min; Kang, Youngjin","Crystal structure of fac-[2-(4-methyl-5-phenylpyridin-2-yl)phenyl-κ^2^C^1^,N]bis[2-(pyridin-2-yl)phenyl-κ^2^C^1^,N]iridium(III)","Acta Crystallographica Section E","2016","72","12","1768","1770","10.1107/S2056989016017618","","","0.71073","MoKα","","0.0313","0.026","","","0.0603","0.0623","","","","","","1.019","","","","has coordinates,has Fobs","188335","2020-10-21","18:00:00",""
"2241942","10.5572","0.0005","11.0764","0.0004","11.4408","0.0005","104.622","0.001","97.327","0.002","90.695","0.001","1282.57","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-(2-Carbamoyl-1-benzofuran-5-yl)-1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-ium chloride methanol monosolvate","","- C27 H32 Cl N5 O3 -","- C27 H32 Cl N5 O3 -","- C54 H64 Cl2 N10 O6 -","2","1","XU5894","Hu, Xiu-Rong; Ye, Jia-Li; Gu, Jian-Ming","Crystal structure of vilazodone hydrochloride methanol monosolvate","Acta Crystallographica Section E","2016","72","12","1783","1785","10.1107/S2056989016017734","","","0.71073","MoKα","","0.0688","0.053","","","0.1308","0.1537","","","","","","1.002","","","","has coordinates,has Fobs","188380","2020-10-21","18:00:00",""
"2241943","22.581","0.0005","13.7701","0.0003","18.5242","0.0004","90","","92.125","0.002","90","","5756","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis[μ~3~-4-methyl-N-(2-oxidophenyl)salicylideneiminato]tetrakis[methanolnickel(II)] methanol 0.8-solvate","","- C60.8 H63.2 N4 Ni4 O12.8 -","- C60.8 H63.2 N4 Ni4 O12.8 -","- C243.2 H252.8 N16 Ni16 O51.2 -","4","1","RZ5196","Pavlović, Gordana; Majer, Mihael; Cindrić, Marina","A tetranuclear cubane-like nickel(II) complex with a tridentate salicylideneimine Schiff base ligand: tetrakis[μ~3~-4-methyl-N-(2-oxidophenyl)salicylideneiminato]tetrakis[methanolnickel(II)] methanol 0.8-solvate","Acta Crystallographica Section E","2016","72","12","1776","1779","10.1107/S2056989016017722","","","0.71073","MoKα","","0.1432","0.0675","","","0.1092","0.1301","","","","","","0.994","","","","has coordinates,has Fobs","188381","2020-10-21","18:00:00",""
"2241944","4.8564","0.0002","13.5188","0.0005","6.7205","0.0003","90","","96.992","0.002","90","","437.94","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(N H4)2 [Cu (C2 O4)2]","catena-Poly[diammonium [di-μ-oxalato-cuprate(II)]]","","- C4 H8 Cu N2 O8 -","- C4 H8 Cu N2 O8 -","- C8 H16 Cu2 N4 O16 -","2","0.5","PJ2038","Dickie, Diane A.; Kemp, Richard A.","Crystal structure of catena-poly[diammonium [di-μ-oxalato-cuprate(II)]]","Acta Crystallographica Section E","2016","72","12","1780","1782","10.1107/S2056989016017631","","","0.71073","MoKα","","0.0204","0.0179","","","0.0498","0.0509","","","","","","1.077","","","","has coordinates,has Fobs","188382","2020-10-21","18:00:00",""
"2241945","6.15","0.0005","4.7475","0.0003","31.002","0.002","90","","90.461","0.003","90","","905.14","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N'-Dibenzylpyromellitic diimide","2,6-Dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-\ tetraone","","- C24 H16 N2 O4 -","- C24 H16 N2 O4 -","- C48 H32 N4 O8 -","2","0.5","","Im, Hansu; Moon, Suk-Hee; Kim, Tae Ho; Park, Ki-Min","Crystal structure of N,N'-dibenzylpyromellitic diimide","Acta Crystallographica Section E","2016","72","12","1809","1811","10.1107/S2056989016017710","","","0.71073","MoKα","","0.0692","0.0478","","","0.1087","0.1194","","","","","","1.042","","","","has coordinates,has Fobs","188490","2020-10-21","18:00:00",""
"2241946","11.8702","0.001","11.8702","0.001","19.386","0.0018","90","","90","","120","","2365.6","0.4","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(dimethyl sulfoxide-κO)manganese(II) tetraiodide","","- C12 H36 I4 Mn O6 S6 -","- C12 H36 I4 Mn O6 S6 -","- C36 H108 I12 Mn3 O18 S18 -","3","0.166667","WM5337","Haque, Md Azimul; Davaasuren, Bambar; Rothenberger, Alexander; Wu, Tom","Crystal structure of hexakis(dimethyl sulfoxide-κO)manganese(II) tetraiodide","Acta Crystallographica Section E","2016","72","12","1791","1793","10.1107/S2056989016017904","","","0.71073","MoKα","","0.0198","0.0172","","","0.0374","0.0384","","","","","","1.064","","","","has coordinates,has Fobs","188491","2020-10-21","18:00:00",""
"2241947","7.163","0.0008","9.1309","0.001","29.694","0.003","90","","90","","90","","1942.1","0.4","294","2","294","2","","","","","","","","6","P b c n","-P 2n 2ab","60","4-Fluorobenzylammonium dihydrogen phosphate","","","- C7 H11 F N O4 P -","- C7 H11 F N O4 P -","- C56 H88 F8 N8 O32 P8 -","8","1","WM5335","Rayes, Ali; Dadi, Ahlem; Mahbouli Rhouma, Najla; Mezzadri, Francesco; Calestani, Gianluca","Synthesis and crystal structure of 4-fluorobenzylammonium dihydrogen phosphate, [FC~6~H~4~CH~2~NH~3~]H~2~PO~4~","Acta Crystallographica Section E","2016","72","12","1812","1815","10.1107/S2056989016018090","","","0.71073","MoKα","","0.0777","0.0774","","","0.1694","0.1695","","","","","","1.327","","","","has coordinates,has Fobs","188492","2020-10-21","18:00:00",""
"2241948","10.7271","0.0002","13.5412","0.0002","15.9361","0.0003","67.747","0.002","87.126","0.002","72.826","0.002","2041.92","0.07","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","[N,N-Bis(2-hydroxyethyl)dithiocarbamato-κ^2^S,S']bis(triphenylphosphane-κP)copper(I) chloroform monosolvate","","- C42 H41 Cl3 Cu N O2 P2 S2 -","- C42 H41 Cl3 Cu N O2 P2 S2 -","- C84 H82 Cl6 Cu2 N2 O4 P4 S4 -","2","1","HB7632","Tan, Sang Loon; Yeo, Chien Ing; Heard, Peter J.; Akien, Geoffrey R.; Halcovitch, Nathan R.; Tiekink, Edward R. T.","[N,N-Bis(2-hydroxyethyl)dithiocarbamato-κ^2^S,S']bis(triphenylphosphane-κP)copper(I) chloroform monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements","Acta Crystallographica Section E","2016","72","12","1799","1805","10.1107/S2056989016017837","","","0.71073","MoKα","","0.0504","0.0445","","","0.1127","0.1172","","","","","","1.034","","","","has coordinates,has Fobs","188493","2020-10-21","18:00:00",""
"2241949","12.283","0.001","12.736","0.001","6.494","0.005","90","","114.76","0.03","90","","922.5","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Na2 Ca Mn Fe (P O4)3","Disodium calcium manganese iron tris(phosphate)","","- Ca Fe Mn Na2 O12 P3 -","- Ca Fe1.0002 Mn0.9998 Na2 O12 P3 -","- Ca4 Fe4.0008 Mn3.9992 Na8 O48 P12 -","4","0.5","BR2263","Jebli, Semeh; Badri, Abdessalem; Ben Amara, Mongi","Synthesis and crystal structure of a new alluaudite-like iron phosphate Na~2~CaMnFe(PO~4~)~3~","Acta Crystallographica Section E","2016","72","12","1806","1808","10.1107/S2056989016017771","","","0.71073","MoKα","","0.0376","0.0281","","","0.0764","0.0806","","","","","","1.065","","","","has coordinates,has Fobs","188494","2020-10-21","18:00:00",""
"2241950","7.8819","0.0005","24.5497","0.0014","7.3137","0.0004","90","","98.739","0.002","90","","1398.76","0.14","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~7~-dihydrogen (4,5-dicyano-1,2-phenylene)diphosphonato](oxonium)caesium]","","- C8 H7 Cs N2 O7 P2 -","- C8 H7 Cs N2 O7 P2 -","- C32 H28 Cs4 N8 O28 P8 -","4","1","","Mendes, Ricardo F.; Venkatramaiah, Nutalapati; Tomé, João P. C.; Almeida Paz, Filipe A.","Crystal structure of a compact three-dimensional metal‒organic framework based on Cs^+^ and (4,5-dicyano-1,2-phenylene)bis(phosphonic acid)","Acta Crystallographica Section E","2016","72","12","1794","1798","10.1107/S2056989016016765","","","0.71073","MoKα","","0.031","0.0305","","","0.0796","0.0798","","","","","","1.502","","","","has coordinates,has Fobs","188495","2020-10-21","18:00:00",""
"2241951","11.7112","0.0006","15.9238","0.0006","14.8703","0.0006","90","","90","","90","","2773.1","0.2","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis[μ-N^1^,N^2^-bis(propan-2-yl)benzamidinato-κ^2^N^1^:N^2^]disilver(I)","","- C26 H38 Ag2 N4 -","- C26 H38 Ag2 N4 -","- C104 H152 Ag8 N16 -","4","0.5","WM5332","Wang, Sida; Harmgarth, Nicole; Liebing, Phil; Edelmann, Frank T.","Crystal and molecular structures of two silver(I) amidinates, including an unexpected co-crystal with a lithium amidinate","Acta Crystallographica Section E","2016","72","12","1786","1790","10.1107/S2056989016017680","","","0.71073","MoKα","","0.037","0.0238","","","0.044","0.0467","","","","","","0.991","","","","has coordinates,has Fobs","188496","2020-10-21","18:00:00",""
"2241952","10.588","0.0003","14.562","0.0004","14.983","0.0005","99.871","0.002","102.825","0.002","106.538","0.002","2090.17","0.12","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","Bis(μ-N^1^,N^2^-dicyclohexyl-3-cyclopropylpropynamidinato-κ^2^N^1^:N^2^)disilver(I) bis(μ-N^1^,N^2^-dicyclohexyl-3-cyclopropylpropynamidinato-κ^3^N^1^,N^2^:N^1^)bis(tetrahydrofuran- κO)lithium(I) toluene monosolvate","","- C87 H132 Ag2 Li2 N8 O2 -","- C87 H132 Ag2 Li2 N8 O2 -","- C87 H132 Ag2 Li2 N8 O2 -","1","0.5","","Wang, Sida; Harmgarth, Nicole; Liebing, Phil; Edelmann, Frank T.","Crystal and molecular structures of two silver(I) amidinates, including an unexpected co-crystal with a lithium amidinate","Acta Crystallographica Section E","2016","72","12","1786","1790","10.1107/S2056989016017680","","","0.71073","MoKα","","0.0335","0.0282","","","0.0712","0.0731","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","188496","2020-10-21","18:00:00",""
"2241953","7.7027","0.0005","7.8688","0.0005","9.197","0.0005","87.403","0.005","81.419","0.005","76.295","0.005","535.48","0.06","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","Bis(3,5-dimethylpyridine-κN)bis(methanol-κO)bis(thiocyanato-κn)cobalt(II)","","- C18 H26 Co N4 O2 S2 -","- C18 H26 Co N4 O2 S2 -","- C18 H26 Co N4 O2 S2 -","1","0.5","WM5338","Suckert, Stefan; Jess, Inke; Näther, Christian","Crystal structure of bis(3,5-dimethylpyridine-κN)bis(methanol-κO)bis(thiocyanato-κN)cobalt(II)","Acta Crystallographica Section E","2016","72","12","1824","1826","10.1107/S2056989016018326","","","0.71073","MoKα","","0.043","0.0344","","","0.0868","0.0943","","","","","","1.08","","","","has coordinates,has Fobs","188574","2020-10-21","18:00:00",""
"2241954","11.419","0.003","5.6731","0.0016","15.226","0.004","90","","95.53","0.004","90","","981.8","0.5","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Diethylammonium aniline-4-sulfonate anilinium-4-sulfonate","","- C16 H25 N3 O6 S2 -","- C16 H25 N3 O6 S2 -","- C32 H50 N6 O12 S4 -","2","1","HB7622","Toure, Assane; Diop, Libasse; Diop, Cheikh Abdoul Khadir; Oliver, Allen G.","Crystal structure of diethylammonium aniline-4-sulfonate anilinium-4-sulfonate","Acta Crystallographica Section E","2016","72","12","1830","1832","10.1107/S2056989016018041","","","0.71073","MoKα","","0.0452","0.0385","","","0.0751","0.0768","","","","","","0.975","","","","has coordinates,has Fobs","188575","2020-10-21","18:00:00",""
"2241955","18.5975","0.0003","12.9604","0.0002","16.89","0.0003","90","","96.365","0.0007","90","","4045.92","0.12","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(Anthracen-9-yl)carbonyl]-2,7-dimethoxynaphthalene","","- C27 H20 O3 -","- C27 H20 O3 -","- C216 H160 O24 -","8","2","IS5460","Siqingaowa; Tsumuki, Takehiro; Ogata, Kazuki; Yonezawa, Noriyuki; Okamoto, Akiko","1-[(Anthracen-9-yl)carbonyl]-2,7-dimethoxynaphthalene: a chain-like structure composed of face-to-face type dimeric molecular aggregates","Acta Crystallographica Section E","2016","72","12","1819","1823","10.1107/S2056989016018077","","","1.54187","CuKα","","0.0675","0.0402","","","0.1054","0.1127","","","","","","0.972","","","","has coordinates,has Fobs","188576","2020-10-21","18:00:00",""
"2241956","8.3367","0.0004","10.7752","0.0005","24.1016","0.0012","90","","90","","90","","2165.04","0.18","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(Z)-[(Dimethylcarbamoyl)(methylsulfanyl)methylidene]amino N-methylcarbamate","","- C7 H13 N3 O3 S -","- C7 H13 N3 O3 S -","- C56 H104 N24 O24 S8 -","8","2","","Kwon, Eunjin; Park, Ki-Min; Park, Hyunjin; Kim, Tae Ho","Crystal structure of oxamyl","Acta Crystallographica Section E","2016","72","12","1816","1818","10.1107/S2056989016018168","","","0.71073","MoKα","","0.043","0.0369","","","0.0862","0.0898","","","","","","1.035","","","","has coordinates,has Fobs","188577","2020-10-21","18:00:00",""
"2241957","7.5125","0.0002","8.6671","0.0003","15.3079","0.0005","86.198","0.003","76.249","0.004","74.73","0.003","933.97","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","trans-Diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)cadmium","","- C36 H40 Cd N6 O8 -","- C36 H40 Cd N6 O8 -","- C36 H40 Cd N6 O8 -","1","0.5","WM5339","Akduran, Nurcan; Sertçelik, Mustafa; Aydoğdu, Ömer; Necefoğlu, Hacali; Hökelek, Tuncer","Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)cadmium","Acta Crystallographica Section E","2016","72","12","1827","1829","10.1107/S2056989016018247","","","0.71073","MoKα","","0.0279","0.0266","","","0.0662","0.0677","","","","","","1.088","","","","has coordinates,has Fobs","188578","2020-10-21","18:00:00",""
"2241958","8.9431","0.0002","12.3682","0.0003","13.886","0.0003","66.795","0.001","85.501","0.001","86.367","0.001","1406.44","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","[Dimethylbis(η^5^-tetramethylcyclopentadienyl)silane](trifluoromethanesulfonato-κ^2^O,O')titanium(III) toluene monosolvate","","- C28 H38 F3 O3 S Si Ti -","- C28 H38 F3 O3 S Si Ti -","- C56 H76 F6 O6 S2 Si2 Ti2 -","2","1","","Kessler, Monty; Godemann, Christian; Spannenberg, Anke; Beweries, Torsten","Crystal structures of two ansa-titanocene trifluoromethanesulfonate complexes bearing the Me~2~Si(C~5~Me~4~)~2~ ligand","Acta Crystallographica Section E","2016","72","12","1833","1835","10.1107/S2056989016018363","","","0.71073","MoKα","","0.0336","0.0303","","","0.0806","0.0836","","","","","","1.042","","","","has coordinates,has Fobs","188630","2020-10-21","18:00:00",""
"2241959","10.0958","0.0003","15.8656","0.0005","14.5544","0.0005","90","","91.9841","0.0008","90","","2329.87","0.13","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Chlorido[dimethylbis(η^5^-tetramethylcyclopentadienyl)silane](trifluoromethanesulfonato-κO)titanium(IV)","","- C21 H30 Cl F3 O3 S Si Ti -","- C21 H30 Cl F3 O3 S Si Ti -","- C84 H120 Cl4 F12 O12 S4 Si4 Ti4 -","4","1","","Kessler, Monty; Godemann, Christian; Spannenberg, Anke; Beweries, Torsten","Crystal structures of two ansa-titanocene trifluoromethanesulfonate complexes bearing the Me~2~Si(C~5~Me~4~)~2~ ligand","Acta Crystallographica Section E","2016","72","12","1833","1835","10.1107/S2056989016018363","","","0.71073","MoKα","","0.0335","0.03","","","0.0826","0.0851","","","","","","1.042","","","","has coordinates,has Fobs","188630","2020-10-21","18:00:00",""
"2241960","7.1116","0.0009","7.6131","0.0009","8.9414","0.0011","86.927","0.006","80.354","0.006","72.587","0.005","455.38","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","fluroxypyr","2-[(4-Amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetic acid","","- C7 H5 Cl2 F N2 O3 -","- C7 H5 Cl2 F N2 O3 -","- C14 H10 Cl4 F2 N4 O6 -","2","1","","Park, Hyunjin; Choi, Myong Yong; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of fluroxypyr","Acta Crystallographica Section E","2016","72","12","1836","1838","10.1107/S2056989016018533","","","0.71073","MoKα","","0.0296","0.0281","","","0.0752","0.0763","","","","","","1.123","","","","has coordinates,has Fobs","188677","2020-10-21","18:00:00",""
"2241961","7.3861","0.0003","8.5629","0.0003","15.1619","0.0006","75.839","0.003","79.196","0.003","70.1","0.003","868.55","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","Meloxicam acetylenedicarboxylic acid","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide‒2-butynedioic acid (2/1)","","- C32 H28 N6 O12 S4 -","- C32 H28 N6 O12 S4 -","- C32 H28 N6 O12 S4 -","1","0.5","LH5829","Tantardini, Christian; Arkhipov, Sergey G.; Cherkashina, Ksenya A.; Kil'met'ev, Alexander S.; Boldyreva, Elena V.","Crystal structure of a 2:1 co-crystal of meloxicam with acetylendicarboxylic acid","Acta Crystallographica Section E","2016","72","12","1856","1859","10.1107/S2056989016018909","","","0.71073","MoKα","","0.0471","0.0362","","","0.0914","0.0982","","","","","","1.045","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2241962","14.689","0.003","8.0775","0.0015","21.861","0.004","90","","103.942","0.003","90","","2517.4","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetonitrile-κN)iodido(2-(naphthalen-1-yl)-6-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyridine-κ^2^N,N')copper(I)","","- C28 H27 Cu I N3 -","- C28 H27 Cu I N3 -","- C112 H108 Cu4 I4 N12 -","4","1","WM5341","Al-Najjar, Nada; Solan, Gregory A.; Singh, Kuldip","Crystal structure of (acetonitrile-κN)iodido(2-(naphthalen-1-yl)-6-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyridine-κ^2^N,N')copper(I)","Acta Crystallographica Section E","2016","72","12","1845","1847","10.1107/S2056989016018685","","","0.71073","MoKα","","0.0981","0.0511","","","0.0746","0.085","","","","","","0.769","","","","has coordinates,has Fobs","188748","2020-10-21","18:00:00",""
"2241963","20.7156","0.0011","6.366","0.0003","16.0288","0.0007","90","","105.183","0.004","90","","2040.02","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3Z)-4-Benzoyl-3-[(2,4-dinitrophenyl)hydrazinylidene]-5-phenylfuran-2(3H)-one","","- C23 H14 N4 O7 -","- C23 H14 N4 O7 -","- C92 H56 N16 O28 -","4","1","WM5340","Köysal, Yavuz; Bülbül, Hakan; İlhan, İlhan Özer; Akın, Nazenin; Dege, Necmi","Crystal structure and computational studies of (3Z)-4-benzoyl-3-[(2,4-dinitrophenyl)hydrazinylidene]-5-phenylfuran-2(3H)-one","Acta Crystallographica Section E","2016","72","12","1852","1855","10.1107/S2056989016018600","","","0.71073","MoKα","","0.0736","0.0385","","","0.0796","0.0888","","","","","","1.012","","","","has coordinates,has Fobs","188749","2020-10-21","18:00:00",""
"2241964","11.4286","0.0007","12.7227","0.0008","20.1915","0.0012","94.005","0.005","105.839","0.006","103.952","0.006","2712","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Bis(bis{μ~3~-3-methyl-3-[(4-nitro-2-oxidobenzylidene)amino]propane-1,3-diolato}tris[chlorido(dimethyl sulfoxide)iron(III)]) dimethyl sulfoxide heptasolvate dihydrate","","- C70 H126 Cl6 Fe6 N8 O35 S13 -","- C70 H126 Cl6 Fe6 N8 O35 S13 -","- C70 H126 Cl6 Fe6 N8 O35 S13 -","1","0.5","BG2596","Chygorin, Eduard; Smal, Yuri; Omelchenko, Irina V.","Crystal structure of bis(bis{μ~3~-3-methyl-3-[(4-nitro-2-oxidobenzylidene)amino]propane-1,3-diolato}tris[chlorido(dimethyl sulfoxide)iron(III)]) dimethyl sulfoxide heptasolvate dihydrate","Acta Crystallographica Section E","2016","72","12","1848","1851","10.1107/S2056989016018508","","","0.71073","MoKα","","0.1824","0.0811","","","0.1273","0.1634","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","188750","2020-10-21","18:00:00",""
"2241965","7.3274","0.0002","19.4495","0.0004","7.8579","0.0003","90","","113.205","0.004","90","","1029.27","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[triamminesilver(I)] bis[diamminesilver(I)] hexafluoridostannate(IV) difluoride","","- Ag4 F8 H30 N10 Sn -","- Ag4 F8 H30 N10 Sn -","- Ag8 F16 H60 N20 Sn2 -","2","0.5","WM5342","Kraus, Florian; Fichtl, Matthias; Baer, Sebastian","Crystal structure of [Ag(NH~3~)~3~]~2~[Ag(NH~3~)~2~]~2~[SnF~6~]F~2~, a compound showing argentophilic interactions","Acta Crystallographica Section E","2016","72","12","1860","1863","10.1107/S2056989016019010","","","0.71073","MoKα","","0.0355","0.0201","","","0.0402","0.0458","","","","","","0.993","","","","has coordinates,has Fobs","188751","2020-10-21","18:00:00",""
"2241966","9.5538","0.0006","8.3655","0.0003","19.1395","0.001","90","","96.837","0.004","90","","1518.8","0.14","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","[(1R,3R,4R,5R,6S)-4,5-Bis(acetyloxy)-7-oxo-2-oxabicyclo[4.2.0]octan-3-yl]methyl acetate","","- C14 H18 O8 -","- C14 H18 O8 -","- C56 H72 O32 -","4","2","ZL2684","Schilde, Uwe; Kelling, Alexandra; Umbreen, Sumaira; Linker, Torsten","Crystal structures of three bicyclic carbohydrate derivatives","Acta Crystallographica Section E","2016","72","12","1839","1844","10.1107/S2056989016018727","","","0.71073","MoKα","","0.039","0.0318","","","0.0783","0.0816","","","","","","1.026","","","","has coordinates,has Fobs","188752","2020-10-21","18:00:00",""
"2241967","8.991","0.0003","9.6231","0.0005","14.4915","0.0006","90","","101.742","0.003","90","","1227.59","0.09","210","2","210","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,4R,5S,6R)-\ 5-Acetyloxy-7-hydroxyimino-2-oxabicyclo[4.2.0]octan-4-yl acetate","","- C11 H15 N O6 -","- C11 H15 N O6 -","- C44 H60 N4 O24 -","4","2","ZL2684","Schilde, Uwe; Kelling, Alexandra; Umbreen, Sumaira; Linker, Torsten","Crystal structures of three bicyclic carbohydrate derivatives","Acta Crystallographica Section E","2016","72","12","1839","1844","10.1107/S2056989016018727","","","0.71073","MoKα","","0.0405","0.0374","","","0.0999","0.1025","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","188752","2020-10-21","18:00:00",""
"2241968","7.0784","0.0005","6.1454","0.0003","18.5176","0.0012","90","","100.476","0.005","90","","792.08","0.09","210","2","210","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(3aR,5R,6R,7R,7aS)-6,7-Bis(acetyloxy)-2-oxooctahydropyrano[3,2-b]pyrrol-5-yl]methyl acetate","","- C14 H19 N O8 -","- C14 H19 N O8 -","- C28 H38 N2 O16 -","2","1","ZL2684","Schilde, Uwe; Kelling, Alexandra; Umbreen, Sumaira; Linker, Torsten","Crystal structures of three bicyclic carbohydrate derivatives","Acta Crystallographica Section E","2016","72","12","1839","1844","10.1107/S2056989016018727","","","0.71073","MoKα","","0.0435","0.0417","","","0.1101","0.1122","","","","","","1.076","","","","has coordinates,has Fobs","188752","2020-10-21","18:00:00",""
"2241970","9.91","0.002","8.373","0.0017","22.999","0.005","90","","90","","90","","1908.4","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-Cyclohexane-1,2-diammonium chromate(VI)","","- C6 H16 Cr N2 O4 -","- C6 H16 Cr N2 O4 -","- C48 H128 Cr8 N16 O32 -","8","1","WM5343","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of trans-cyclohexane-1,2-diammonium chromate(VI) from synchrotron X-ray diffraction data","Acta Crystallographica Section E","2016","72","12","1872","1874","10.1107/S2056989016019009","","","0.65","synchrotron","","0.0723","0.0553","","","0.1464","0.1599","","","","","","0.987","","","","has coordinates,has Fobs","188961","2020-10-21","18:00:00",""
"2241971","3.9601","0.0008","7.5102","0.0015","22.35","0.005","90","","94.32","0.03","90","","662.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(Chloroselanyl)pyridine 1-oxide","","- C5 H4 Cl N O Se -","- C5 H4 Cl N O Se -","- C20 H16 Cl4 N4 O4 Se4 -","4","1","SU5337","Askerov, Rizvan K.; Matsulevich, Zhanna V.; Borisova, Galina N.; Zalepkina, Svetlana A.; Smirnov, Vasiliy F.; Grishina, Maria M.; Dorovatovskii, Pavel V.; Borisov, Alexander V.; Khrustalev, Victor N.","The synthesis and crystal structure of 2-(chloroselanyl)pyridine 1-oxide: the first monomeric organoselenenyl chloride stabilized by an intramolecular secondary Se···O interaction","Acta Crystallographica Section E","2016","72","12","1864","1866","10.1107/S2056989016018946","","","0.9699","synchrotron","","0.0834","0.0741","","","0.1633","0.1753","","","","","","1.009","","","","has coordinates,has Fobs","188962","2020-10-21","18:00:00",""
"2241972","10.2155","0.001","11.3645","0.0011","13.5252","0.0013","90","","101.141","0.002","90","","1540.6","0.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-(2-Bromophenyl)-2-chloro-3-(2-chloracetyl)-1H-indole","","- C16 H10 Br Cl2 N O -","- C16 H10 Br Cl2 N O -","- C64 H40 Br4 Cl8 N4 O4 -","4","1","LH5827","Zhang, Ting-ting; Wang, Bing; Lu, Qing; Zhao, Jun-fang; Lei, Hong; Fang, Qi","Synthesis and structure of 1-(2-bromophenyl)-2-chloro-3-(2-chloracetyl)-1H-indole","Acta Crystallographica Section E","2016","72","12","1867","1871","10.1107/S2056989016018880","","","0.71073","MoKα","","0.0549","0.0319","","","0.0814","0.0862","","","","","","0.936","","","","has coordinates,has disorder,has Fobs","188963","2020-10-21","18:00:00",""
"2311093","6.6123","0.0002","8.7948","0.0003","5.41074","0.00015","92.603","0.002","94.0843","0.0018","71.3262","0.0018","297.249","0.016","293","","293","","","","","","","","","4","P -1","-P 1","2","","sodium hafnium disilicate","","- Hf Na2 O7 Si2 -","- Hf Na2 O7 Si2 -","- Hf2 Na4 O14 Si4 -","2","1","","Massoni, Nicolas; Pierrick, Chevreux","Crystal structure of Na~2~HfSi~2~O~7~ by Rietveld refinement","Acta Crystallographica, Section e","2016","72","","1434","","10.1107/S2056989016014225","powder diffraction","","1.54176","CuKα~1~","","0.0236","0.0236","","0.0297","0.0297","","","","2.23","","","2.23","","","","has coordinates","207162","2020-10-21","18:00:00",""
"9017352","7.6492","","6.1262","","8.9241","","90","","112.195","","90","","387.202","","","","","","","","","","","","Sierra de Cordoba, Argentina","8","P 1 21/m 1","-P 2yb","11","","","Brackebuschite","- As0.02 Fe0.09 H Mn0.82 O9 Pb2 V1.98 Zn0.09 -","- As0.04 Fe0.18 H2 Mn1.64 O18 Pb4 V3.96 Zn0.18 -","- As0.04 Fe0.18 H2 Mn1.64 O18 Pb4 V3.96 Zn0.18 -","","","","Lafuente, B.; Downs, R. T.","Redetermination of brackebuschite, Pb2Mn3+(VO4)2(OH)","Acta Crystallographica, Section E","2016","72","","293","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57",""
"9017353","9.036","","6.1683","","11.9601","","90","","91.433","","90","","666.409","","","","","","","","","","","","Wessels mine, Northern Cape Province, South Africa","9","C 1 2 1","C 2y","5","","","Ruizite","- Al0.05 Ca1.9 Fe0.07 H8 Mg0.04 Mn1.88 O17 Si4 Sr0.06 -","- Al0.1 Ca3.8 Fe0.14 H16 Mg0.08 Mn3.76 O34 Si8 Sr0.12 -","- Al0.1 Ca3.8 Fe0.14 H16 Mg0.08 Mn3.76 O34 Si8 Sr0.12 -","","","","Fendrich, K. V.; Downs, R. T.; Origlieri, M. J.","Redetermination of ruizite, Ca2Mn3+2[Si4O11(OH)](OH)2*2H2O","Acta Crystallographica, Section E","2016","72","","959","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:57",""
"9017354","6.2059","","7.0635","","7.7516","","93.166","","96.548","","105.883","","323.359","","","","","","","","","","","","Blue Cap mine, San Juan County, Utah, USA","4","P -1","-P 1","2","","","Metarossite","- Ca0.968 H4 O8 V1.885 -","- Ca0.968 H4 O8 V1.885 -","- Ca1.936 H8 O16 V3.77 -","2","1","","Kobsch, A.; Downs, R. T.; Domanik, K. J.","Redetermination of metarossite, CaV5+2O6*2H2O","Acta Crystallographica, Section E","2016","72","","1280","1284","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""