# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-15T04:01:14+01:00
# Query:
# SELECT data.*
# FROM
# data JOIN jaltnames
# ON altname = journal
# WHERE
# (status is null or status != 'retracted') and
# (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta crystallographica. Section E, Crystallographic communications') AND volume = 81 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
"2023371","4.7217","0.0003","26.167","0.002","16.7888","0.0012","90","","98.082","0.005","90","","2053.7","0.3","301.57","","301.57","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Mebendazolium and dihydrogen phosphate–phosphoric acid (1/1)","5-Benzoyl-2-[(methoxycarbonyl)amino]-1H-1,3-benzodiazol-3-ium dihydrogen phosphate–phosphoric acid (1/1)","","- C16 H19 N3 O11 P2 -","- C16 H19 N3 O11 P2 -","- C64 H76 N12 O44 P8 -","4","1","JQ2039","Gutiérrez, Eduardo L; Russo, Marcos G.; Narda, Griselda E.; Brusau, Elena V.; Ayala, Alejandro P.; Ellena, Javier","Supra-molecular assembly of mebendazolium and di-hydrogen phosphate ions in a new anthelmintic salt.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","195","199","10.1107/S2056989025000714","","x-ray","1.54178","CuKα","","0.0576","0.0437","","","0.0956","0.1049","","","","","","1.059","","","","has coordinates","299188","2025-04-05","11:38:52",""
"2023372","7.9312","0.0005","8.5664","0.0006","10.1483","0.0007","88.993","0.006","88.01","0.006","77.063","0.006","671.55","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(tert-Butyldiisopropylphosphine selenide-κSe)dichloridopalladium(II)","","- C20 H46 Cl2 P2 Pd Se2 -","- C20 H46 Cl2 P2 Pd Se2 -","- C20 H46 Cl2 P2 Pd Se2 -","1","0.5","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides R 1 R 2 R 3PE (R = tert-butyl or isopropyl, E = S or Se) with the metal halides MX 2 (M = Pd or Pt, X = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( t Bu2 iPrPEBr)2[Pd2Br6] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0557","0.0364","","","0.0706","0.078","","","","","","1.037","","","","has coordinates","299189","2025-04-05","11:39:40",""
"2023373","15.3744","0.0004","13.2969","0.0002","16.0503","0.0003","90","","117.306","0.003","90","","2915.57","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Di-tert-butylisopropylphosphine selenide-κSe)dichloridopalladium(II)","","- C22 H50 Cl2 P2 Pd Se2 -","- C22 H50 Cl2 P2 Pd Se2 -","- C88 H200 Cl8 P8 Pd4 Se8 -","4","1","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides R 1 R 2 R 3PE (R = tert-butyl or isopropyl, E = S or Se) with the metal halides MX 2 (M = Pd or Pt, X = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( t Bu2 iPrPEBr)2[Pd2Br6] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0477","0.0321","","","0.0629","0.0679","","","","","","1.041","","","","has coordinates","299189","2025-04-05","11:39:51",""
"2023374","15.3561","0.0006","13.4695","0.0004","16.1371","0.0006","90","","116.558","0.005","90","","2985.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dibromido(di-tert-butylisopropylphosphine selenide-κSe)palladium(II)","","- C22 H50 Br2 P2 Pd Se2 -","- C22 H50 Br2 P2 Pd Se2 -","- C88 H200 Br8 P8 Pd4 Se8 -","4","1","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides R 1 R 2 R 3PE (R = tert-butyl or isopropyl, E = S or Se) with the metal halides MX 2 (M = Pd or Pt, X = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( t Bu2 iPrPEBr)2[Pd2Br6] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0577","0.039","","","0.076","0.0827","","","","","","1.04","","","","has coordinates","299189","2025-04-05","11:40:02",""
"2023375","7.8595","0.0003","17.5019","0.0006","10.674","0.0003","90","","94.551","0.003","90","","1463.65","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromido(di-tert-butylisopropylphosphine sulfide-κS)palladium(II)","","- C22 H50 Br2 P2 Pd S2 -","- C22 H50 Br2 P2 Pd S2 -","- C44 H100 Br4 P4 Pd2 S4 -","2","0.5","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides R 1 R 2 R 3PE (R = tert-butyl or isopropyl, E = S or Se) with the metal halides MX 2 (M = Pd or Pt, X = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( t Bu2 iPrPEBr)2[Pd2Br6] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0509","0.0392","","","0.0624","0.0648","","","","","","1.219","","","","has coordinates","299189","2025-04-05","11:40:12",""
"2023376","14.5283","0.0003","14.4191","0.0003","13.9428","0.0004","90","","94.571","0.003","90","","2911.52","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido(di-tert-butylisopropylphosphine sulfide-κS)palladium(II)","","- C22 H50 Cl2 P2 Pt S2 -","- C22 H50 Cl2 P2 Pt S2 -","- C88 H200 Cl8 P8 Pt4 S8 -","4","1","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides R 1 R 2 R 3PE (R = tert-butyl or isopropyl, E = S or Se) with the metal halides MX 2 (M = Pd or Pt, X = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( t Bu2 iPrPEBr)2[Pd2Br6] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0492","0.0256","","","0.0473","0.0546","","","","","","1.043","","","","has coordinates","299189","2025-04-05","11:40:21",""
"2023377","6.9753","0.0004","8.7642","0.0005","13.0718","0.0007","88.93","0.006","78.488","0.006","79.804","0.007","770.56","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-chlorido-bis[(tert-butyldiisopropylphosphine sulfide-κS)chloridopalladium(II)]","","- C20 H46 Cl4 P2 Pd2 S2 -","- C20 H46 Cl4 P2 Pd2 S2 -","- C20 H46 Cl4 P2 Pd2 S2 -","1","0.5","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides R 1 R 2 R 3PE (R = tert-butyl or isopropyl, E = S or Se) with the metal halides MX 2 (M = Pd or Pt, X = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( t Bu2 iPrPEBr)2[Pd2Br6] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0386","0.0286","","","0.0557","0.0589","","","","","","1.051","","","","has coordinates","299189","2025-04-05","11:40:24",""
"2023378","7.8691","0.0004","22.7255","0.0008","10.5879","0.0003","90","","98.386","0.003","90","","1873.18","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Bromosulfanyl)di-tert-butylisopropylphosphanium di-μ-bromido-bis[dibromidopalladium(II)]","","- C22 H50 Br8 P2 Pd2 S2 -","- C22 H50 Br8 P2 Pd2 S2 -","- C44 H100 Br16 P4 Pd4 S4 -","2","0.5","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides R 1 R 2 R 3PE (R = tert-butyl or isopropyl, E = S or Se) with the metal halides MX 2 (M = Pd or Pt, X = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( t Bu2 iPrPEBr)2[Pd2Br6] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0622","0.0421","","","0.0668","0.0716","","","","","","1.105","","","","has coordinates,has disorder","299189","2025-04-05","11:40:25",""
"2023379","19.355","0.0006","14.8165","0.0002","16.3047","0.0005","90","","125.957","0.005","90","","3784.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Bromoselanyl)di-tert-butylisopropylphosphanium di-μ-bromido-bis[dibromidopalladium(II)]","","- C22 H50 Br8 P2 Pd2 Se2 -","- C22 H50 Br8 P2 Pd2 Se2 -","- C88 H200 Br32 P8 Pd8 Se8 -","4","0.5","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides R 1 R 2 R 3PE (R = tert-butyl or isopropyl, E = S or Se) with the metal halides MX 2 (M = Pd or Pt, X = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( t Bu2 iPrPEBr)2[Pd2Br6] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0507","0.0312","","","0.0521","0.0565","","","","","","1.037","","","","has coordinates","299189","2025-04-05","11:40:36",""
"2023380","7.56435","0.00006","10.0914","0.00009","24.1396","0.00019","90","","92.7641","0.0008","90","","1840.55","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[dimethyl(sulfanylidene)phosphinito-κSe]\ bis(hydroxydiisopropylphosphine selenide-κSe)palladium(II)","","- C24 H58 O4 P4 Pd Se4 -","- C24 H58 O4 P4 Pd Se4 -","- C48 H116 O8 P8 Pd2 Se8 -","2","0.5","YZ2063","Upmann, Daniel; Jones, Peter G.","Crystal structures of six complexes of phosphane chalcogenides R 1 R 2 R 3PE (R = tert-butyl or isopropyl, E = S or Se) with the metal halides MX 2 (M = Pd or Pt, X = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( t Bu2 iPrPEBr)2[Pd2Br6] and one hydrolysis product.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","183","194","10.1107/S2056989025000805","","","0.71073","MoKα","","0.0292","0.0219","","","0.0392","0.0409","","","","","","1.066","","","","has coordinates","299189","2025-04-05","11:40:37",""
"2023381","5.4003","0.0011","6.367","0.002","38.404","0.008","90","","90","","90","","1320.5","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Oxo-2H-chromen-4-yl 4-bromobenzoate","","- C16 H9 Br O4 -","- C16 H9 Br O4 -","- C64 H36 Br4 O16 -","4","1","HB8116","Bationo, Valentin; Kambo, Konan René; Sorgho, Brahima; Sombié, Charles Bavouma; Thiam, El Walda; Semdé, Rasmané; Djandé, Abdoulaye; Lecomte, Claude; Wenger, Emmanuel","Synthesis and structure of 2-oxo-2H-chromen-4-yl 4-bromo-benzoate: work carried out as part of the CNRS AFRAMED project.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","200","203","10.1107/S2056989025000246","","","0.71073","MoKα","","0.0301","0.0294","","","0.0636","0.0638","","","","","","1.11","","","","has coordinates","299179","2025-04-05","11:36:41",""
"2023382","6.886","0.001","6.945","0.001","12.0366","0.0015","85.543","0.005","84.371","0.005","83.981","0.005","568.37","0.14","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[tetraaquacobalt(II)]-μ~2~-1,5-dihydroxynaphthalene-2,6-dicarboxylato] dimethylformamide disolvate]","","- C18 H28 Co N2 O12 -","- C18 H28 Co N2 O12 -","- C18 H28 Co N2 O12 -","1","0.5","JP2016","Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro","Crystal structure of catena-poly[[[tetra-aquacobalt(II)]-μ2-1,5-di-hydroxy-naphthalene-2,6-di-carboxyl-ato] di-methyl-formamide disolvate].","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","204","207","10.1107/S2056989025000982","","","0.71075","MoKα","","0.0303","0.0279","","","0.0721","0.0743","","","","","","1.111","","","","has coordinates","299181","2025-04-05","11:37:19",""
"2023400","31.9237","0.0013","7.0199","0.0003","6.9184","0.0003","90","","91.864","0.001","90","","1549.6","0.11","299","2","299","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","4'-(Benzyloxy)-[1,1'-biphenyl]-3-carboxylic acid","3-[4-(Benzyloxy)phenyl]benzoic acid","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","NX2019","Kumar, M. Harish; Vinduvahini, M.; Srinivasa, H. T.; Devarajegowda, H. C.; Palakshamurthy, B. S.","Crystal structure, Hirshfeld surface analysis, DFT and mol-ecular docking studies of 4'-(benz-yloxy)-[1,1'-biphen-yl]-3-carb-oxy-lic acid.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","208","213","10.1107/S2056989025001021","","","0.71073","MoKα","","0.0868","0.0688","","","0.1527","0.162","","","","","","1.129","","","","has coordinates","299187","2025-04-05","11:38:44",""
"2023401","19.2056","0.0005","10.5517","0.0003","17.4704","0.0005","90","","107.512","0.001","90","","3376.32","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1',1''-[(2-Bromoethoxy)methanetriyl]tribenzene","","- C21 H19 Br O -","- C21 H19 Br O -","- C168 H152 Br8 O8 -","8","2","YY2014","Fischer, Julian; Hebenbrock, Marian","Synthesis and structure of 1,1',1''-[(2-bromo-eth-oxy)methane-tri-yl]tri-benzene and 1,1',1''-[(2-iodoeth-oxy)methane-tri-yl]tri-benzene.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","214","218","10.1107/S2056989025001124","","","0.71073","MoKα","","0.0377","0.0318","","","0.085","0.0883","","","","","","1.054","","","","has coordinates","299178","2025-04-05","11:36:26",""
"2023402","19.35","0.0006","10.5936","0.0003","17.5475","0.0006","90","","105.945","0.001","90","","3458.6","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1',1''-[(2-Iodoethoxy)methanetriyl]tribenzene","","- C21 H19 I O -","- C21 H19 I O -","- C168 H152 I8 O8 -","8","2","","Fischer, Julian; Hebenbrock, Marian","Synthesis and structure of 1,1',1''-[(2-bromo-eth-oxy)methane-tri-yl]tri-benzene and 1,1',1''-[(2-iodoeth-oxy)methane-tri-yl]tri-benzene.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","214","218","10.1107/S2056989025001124","","","0.71073","MoKα","","0.0217","0.0204","","","0.0532","0.0538","","","","","","1.101","","","","has coordinates","299178","2025-04-05","11:36:27",""
"2023403","7.142","0.003","8.824","0.004","10.255","0.005","101.566","0.013","107.022","0.014","97.55","0.01","592.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Cyanothiophen-3-yl)-[1,2,4]selenadiazolo[4,5-a]pyridin-4-ium chloride","","- C11 H6 Cl N3 S Se -","- C11 H6 Cl N3 S Se -","- C22 H12 Cl2 N6 S2 Se2 -","2","1","TX2093","Sapronov, Alexander A.; Dukhnovsky, Evgeny A.; Kubasov, Alexey S.; Novikov, Alexander S.; Grishina, Maria M.; Dobrokhotova, Ekaterina V.; Komarovskikh, Milena R.; Shikhaliyev, Namiq Q.; Akkurt, Mehmet; Bhattarai, Ajaya; Tskhovrebov, Alexander G.","Synthesis, structural characterization, Hirshfeld surface analysis and QTAIM analysis of 3-(4-cyano-thio-phen-3-yl)-[1,2,4]selena-diazolo[4,5-a]pyridin-4-ium chloride.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","224","228","10.1107/S205698902500115X","","x-ray","0.71073","MoKα","","0.042","0.0336","","","0.0773","0.0806","","","","","","1.053","","","","has coordinates","299182","2025-04-05","11:37:33",""
"2023404","10.6205","0.0003","14.816","0.0004","12.7073","0.0003","90","","96.209","0.001","90","","1987.81","0.09","101","","101","","","","","","","","","3","P 1 21 1","P 2yb","4","Garciosone F","5,10-Dihydroxy-9-methoxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one","","- C24 H24 O6 -","- C24 H24 O6 -","- C96 H96 O24 -","4","2","DX2063","Saekee, Amporn; Kuhakarn, Chutima; Chakarawet, Khetpakorn; Hongthong, Sakchai","Synthesis and crystal structure of 5,10-dihy-droxy-9-meth-oxy-2,2-dimethyl-12-(2-methyl-but-3-en-2-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","219","223","10.1107/S2056989025001070","","","1.54178","CuKα","","0.0331","0.0308","","","0.0777","0.0791","","","","","","1.059","","","","has coordinates,has disorder","299185","2025-04-05","11:38:17",""
"2023405","9.3155","0.0005","22.2529","0.0013","8.2699","0.0003","90","","90.165","0.005","90","","1714.32","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[1-(2,3,4,5,6-Pentafluorophenyl)-2-phenylethyl]piperidin-1-ium chloride","","- C19 H19 Cl F5 N -","- C19 H19 Cl F5 N -","- C76 H76 Cl4 F20 N4 -","4","1","EE2011","Mewis, Ryan E.; Hulme, Matthew C.; Marron, Jack; Langley, Stuart K.; Sutcliffe, Oliver B.; Benjamin, Sophie L.","Synthesis and crystal structures of five fluorinated diphenidine derivatives.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","229","234","10.1107/S2056989025001288","","","0.71073","MoKα","","0.0862","0.0556","","","0.1082","0.1225","","","","","","1.013","","","","has coordinates","299190","2025-04-05","11:40:56",""
"2023406","7.9474","0.0003","12.7652","0.0005","15.3998","0.0007","90","","99.368","0.004","90","","1541.48","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1-(2,6-Difluorophenyl)-2-phenylethyl]dimethylazanium chloride","","- C16 H18 Cl F2 N -","- C16 H18 Cl F2 N -","- C64 H72 Cl4 F8 N4 -","4","1","EE2011","Mewis, Ryan E.; Hulme, Matthew C.; Marron, Jack; Langley, Stuart K.; Sutcliffe, Oliver B.; Benjamin, Sophie L.","Synthesis and crystal structures of five fluorinated diphenidine derivatives.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","229","234","10.1107/S2056989025001288","","","0.71073","MoKα","","0.0513","0.0398","","","0.0823","0.0876","","","","","","1.061","","","","has coordinates","299190","2025-04-05","11:41:06",""
"2023407","8.1365","0.0004","12.7421","0.001","16.0451","0.0008","88.059","0.005","82.349","0.004","86.14","0.005","1644.42","0.17","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","1-[1-(2,6-Difluorophenyl)-2-phenylethyl]pyrrolidin-1-ium chloride","","- C18 H20 Cl F2 N -","- C18 H20 Cl F2 N -","- C72 H80 Cl4 F8 N4 -","4","2","EE2011","Mewis, Ryan E.; Hulme, Matthew C.; Marron, Jack; Langley, Stuart K.; Sutcliffe, Oliver B.; Benjamin, Sophie L.","Synthesis and crystal structures of five fluorinated diphenidine derivatives.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","229","234","10.1107/S2056989025001288","","","0.71073","MoKα","","0.1033","0.0896","","","0.2001","0.2059","","","","","","1.185","","","","has coordinates","299190","2025-04-05","11:41:08",""
"2023408","22.9963","0.0014","7.8729","0.0005","19.033","0.001","90","","92.13","0.005","90","","3443.5","0.4","123","2","123","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[1-(2,6-Difluorophenyl)-2-phenylethyl](ethyl)azanium chloride dichloromethane hemisolvate","","- C33 H38 Cl4 F4 N2 -","- C33 H38 Cl4 F4 N2 -","- C132 H152 Cl16 F16 N8 -","4","0.5","EE2011","Mewis, Ryan E.; Hulme, Matthew C.; Marron, Jack; Langley, Stuart K.; Sutcliffe, Oliver B.; Benjamin, Sophie L.","Synthesis and crystal structures of five fluorinated diphenidine derivatives.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","229","234","10.1107/S2056989025001288","","","0.71073","MoKα","","0.0343","0.031","","","0.075","0.0768","","","","","","1.066","","","","has coordinates,has disorder","299190","2025-04-05","11:41:08",""
"2023409","11.3115","0.0006","10.54","0.0005","14.8039","0.0007","90","","105.044","0.005","90","","1704.48","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tert-Butyl[1-(2,6-difluorophenyl)-2-phenylethyl]azanium chloride","","- C18 H22 Cl F2 N -","- C18 H22 Cl F2 N -","- C72 H88 Cl4 F8 N4 -","4","1","EE2011","Mewis, Ryan E.; Hulme, Matthew C.; Marron, Jack; Langley, Stuart K.; Sutcliffe, Oliver B.; Benjamin, Sophie L.","Synthesis and crystal structures of five fluorinated diphenidine derivatives.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","229","234","10.1107/S2056989025001288","","","0.71073","MoKα","","0.0704","0.0488","","","0.0877","0.0954","","","","","","1.055","","","","has coordinates","299190","2025-04-05","11:41:18",""
"2023410","12.12054","0.0001","8.93314","0.00006","17.75198","0.00015","90","","90.4278","0.0008","90","","1922.03","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(4-Chlorophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole","","- C23 H16 Cl F3 N2 -","- C23 H16 Cl F3 N2 -","- C92 H64 Cl4 F12 N8 -","4","1","ZV2037","Guseinov, Firudin I.; Afanaseva, Ksenia A.; A Vil, Vera; Ugrak, Bogdan I.; Samigullina, Aida I.; Zangrando, Ennio; Belay, Alebel N.","Crystal structure of 1-[(4-chloro-phen-yl)di-phenylyl-meth-yl]-3-(tri-fluoro-meth-yl)-1H-pyrazole.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","235","238","10.1107/S2056989025001185","","","1.54184","CuKα","","0.0395","0.0382","","","0.1064","0.1076","","","","","","1.073","","","","has coordinates","299176","2025-04-05","11:35:45",""
"2023411","22.8868","0.0007","10.7978","0.0003","10.1946","0.0003","90","","95.359","0.003","90","","2508.35","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[tris(aminothiourea)cobalt(III)] bis[2-(carboxymethyl)-2-hydroxybutanedioato]cobalt(II) tetranitrate tetrahydrate","","- C9 H25 Co1.5 N11 O15 S3 -","- C9 H25 Co1.5 N11 O15 S3 -","- C36 H100 Co6 N44 O60 S12 -","4","1","EX2089","Nuralieva, Guzal; Umirzakova, Oydinoy; Torambetov, Batirbay; Rasulov, Abdusamat; Ashurov, Jamshid; Kadirova, Shakhnoza","Synthesis, crystal structure and Hirshfeld analysis of a novel supra-molecular compound [Co(tsc)3]2[Co(cit)2](NO3)4·4H2O.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","248","251","10.1107/S2056989025001136","","x-ray","1.54184","CuKα","","0.0666","0.0545","","","0.1399","0.1501","","","","","","1","","","","has coordinates,has disorder","299177","2025-04-05","11:36:03",""
"2023412","3.86683","0.00017","14.1943","0.0006","13.7347","0.0006","90","","91.453","0.004","90","","753.61","0.06","120","0.1","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[bis(3,5-dichloropyridine)copper(II)]-di-μ-bromido]","","- C10 H6 Br2 Cl4 Cu N2 -","- C10 H6 Br2 Cl4 Cu N2 -","- C20 H12 Br4 Cl8 Cu2 N4 -","2","0.5","WM5752","Landee, Christopher P.; Dickie, Diane A.; Turnbull, Mark M.","CuBr2 complexes with 3,5-disubstituted pyridine ligands.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","243","247","10.1107/S2056989025001343","","","1.54184","CuKα","","0.0422","0.0393","","","0.0995","0.102","","","","","","1.05","","","","has coordinates","299180","2025-04-05","11:36:59",""
"2023413","3.9901","0.0002","14.2902","0.0009","13.8338","0.0008","90","","93.638","0.002","90","","787.2","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[bis(3,5-dimethylpyridine)copper(II)]-di-μ-bromido]","","- C14 H18 Br2 Cu N2 -","- C14 H18 Br2 Cu N2 -","- C28 H36 Br4 Cu2 N4 -","2","0.5","","Landee, Christopher P.; Dickie, Diane A.; Turnbull, Mark M.","CuBr2 complexes with 3,5-disubstituted pyridine ligands.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","243","247","10.1107/S2056989025001343","","","0.71073","MoKα","","0.0514","0.0438","","","0.0845","0.0873","","","","","","1.048","","","","has coordinates","299180","2025-04-05","11:37:00",""
"2023414","10.2254","0.0002","12.2767","0.0003","14.7404","0.0003","90","","93.726","0.001","90","","1846.51","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-tert-Butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole","","- C21 H23 F2 N O2 -","- C21 H23 F2 N O2 -","- C84 H92 F8 N4 O8 -","4","1","NX2020","Sowbhagya, Chaluvarangaiah; Mohan Kumar, Thaluru M.; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structure and Hirshfeld-surface analysis of the pesticide etoxazole.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","239","242","10.1107/S2056989025001173","","","0.71073","MoKα","","0.0369","0.0321","","","0.0742","0.0771","","","","","","1.065","","","","has coordinates,has disorder","299183","2025-04-05","11:37:43",""
"2023415","6.889","0.004","7.25","0.005","15.183","0.01","90","","90.9","0.03","90","","758.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Fluorobenzo[c][1,2,5]selenadiazol-1-ium chloride","","- C6 H4 Cl F N2 Se -","- C6 H4 Cl F N2 Se -","- C24 H16 Cl4 F4 N8 Se4 -","4","1","WM5748","Gurbanov, Atash V.; Hökelek, Tuncer; Mammadova, Gunay Z.; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","Synthesis, crystal structure, Hirshfeld surface and crystal void analysis of 4-fluoro-benzo[c][1,2,5]selena-diazol-1-ium chloride.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","252","256","10.1107/S2056989025001379","","","0.71073","MoKα","","0.0325","0.025","","","0.0521","0.0551","","","","","","1.069","","","","has coordinates","299184","2025-04-05","11:37:57",""
"2023416","17.9534","0.0007","15.8109","0.0007","14.6429","0.0006","90","","113.189","0.002","90","","3820.7","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-[(6-tert-Butyl-2-oxo-2H-chromen-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C168 H200 N8 O32 -","8","1","NX2021","Sunitha Kumari, M.; Harish Kumar, M.; Deevith, D. V.; Devarajegowda, H. C.; Palakshamurthy, B. S.","Crystal structure, Hirshfeld surface, DFT, mol-ecular docking of 1-[(6-tert-butyl-2-oxo-2H-chromen-4-yl)meth-yl]-4,4-di-methyl-piperidine-2,6-dione and cytotoxic effects on breast cancer (MDA-MB 231), human alveolar basal epithelial (A549) cell lines.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","257","263","10.1107/S2056989025001550","","","0.71073","MoKα","","0.0506","0.0431","","","0.1062","0.111","","","","","","1.059","","","","has coordinates","299186","2025-04-05","11:38:34",""
"2023417","5.9754","0.0008","7.2962","0.0009","39.537","0.005","90","","90","","90","","1723.7","0.4","300","2","300","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Methyl 4'-[(4-bromobenzoyl)oxy]biphenyl-4-carboxylate","","- C21 H15 Br O4 -","- C21 H15 Br O4 -","- C84 H60 Br4 O16 -","4","1","WM5751","Anilkumar, Hanumaiah; Selvanandan, Selvaraj; Omkariah, Metikurke Amruthesh; Harish Kumar, Mahadevaiah; Srinivasa, Hosapalya Thimmaiah; Palakshamurthy, Bandrehalli Siddagangaiah","Synthesis, crystal structure, Hirshfeld surface analysis, density function theory calculations and photophysical properties of methyl 4'-[(4-bromobenzo-yl)-oxy]biphenyl-4-carboxyl-ate: a compound with bromine⋯oxygen contacts.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 3","264","270","10.1107/S2056989025001604","","","0.71073","MoKα","","0.0495","0.0347","","","0.0674","0.072","","","","","","1.047","","","","has coordinates","299175","2025-04-05","11:35:33",""
"2023418","7.1461","0.0019","8.66","0.002","9.28","0.003","90.742","0.009","101.274","0.009","113.887","0.009","512.2","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","Tetraoxa[2]perfluoroarene[2]triazine","","- C20 H6 F8 N6 O6 -","- C20 H6 F8 N6 O6 -","- C20 H6 F8 N6 O6 -","1","0.5","TX2095","Kawasaki, Tadashi; Hori, Akiko","Polymorphism and Hirshfeld surface analysis of tetra-oxa[2]perfluoro-arene[2]triazine.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","289","295","10.1107/S205698902500194X","","","0.71073","MoKα","","0.0575","0.0381","","","0.0833","0.0918","","","","","","1.07","","","","has coordinates","299521","2025-05-03","19:20:23",""
"2023419","7.1729","0.001","9.7282","0.0012","16.307","0.002","104.42","0.004","91.293","0.005","99.274","0.004","1085.3","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H6 F8 N6 O6 -","- C20 H6 F8 N6 O6 -","- C40 H12 F16 N12 O12 -","2","1","TX2095","Kawasaki, Tadashi; Hori, Akiko","Polymorphism and Hirshfeld surface analysis of tetra-oxa[2]perfluoro-arene[2]triazine.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","289","295","10.1107/S205698902500194X","","","0.71073","MoKα","","0.0684","0.0472","","","0.1176","0.1299","","","","","","1.035","","","","has coordinates","299521","2025-05-03","19:20:23",""
"2023422","9.2969","0.0005","14.0662","0.0007","15.1168","0.0007","90","","90","","90","","1976.85","0.17","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","5-{(E)-[(1H-Indol-3-ylformamido)imino]methyl}-2-methoxyphenyl propane-1-sulfonate","","- C20 H21 N3 O5 S -","- C20 H21 N3 O5 S -","- C80 H84 N12 O20 S4 -","4","1","JP2017","Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Al-Ashmawy, Aisha A K; Srour, Aladdin M.","Synthesis and crystal structure of 5-{(E)-[(1H-indol-3-ylformamido)-imino]-meth-yl}-2-meth-oxy-phenyl propane-1-sulfonate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","310","313","10.1107/S2056989025002087","","","0.71073","MoKα","","0.0591","0.0427","","","0.1","0.1109","","","","","","1.052","","","","has coordinates","299517","2025-05-03","19:19:39",""
"2023423","10.27958","0.00005","11.1877","0.00006","15.09983","0.00008","90","","105.676","0.0005","90","","1671.96","0.016","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-nitrophenyl)-4H-pyran-3-carboxylate","","- C17 H15 N3 O7 -","- C17 H15 N3 O7 -","- C68 H60 N12 O28 -","4","1","DX2064","Naghiyev, Farid N.; Hökelek, Tuncer; Khrustalev, Victor N.; Mamedov, Huseyn M.; Belay, Alebel N.; Ashurov, Jamshid; Mamedov, Ibrahim G.","Crystal structure and Hirshfeld surface analyses, inter-molecular inter-action energies and energy frameworks of methyl 6-amino-5-cyano-2-(2-meth-oxy-2-oxoeth-yl)-4-(4-nitro-phen-yl)-4H-pyran-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","296","302","10.1107/S2056989025001276","","","1.54184","CuKα","","0.0316","0.0314","","","0.0818","0.0821","","","","","","1.051","","","","has coordinates","299520","2025-05-03","19:20:13",""
"2023424","14.172","0.003","15.902","0.003","14.644","0.003","90","","110.46","0.03","90","","3092","1.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tris(2-methyl-1H-imidazol-3-ium) 5-carboxybenzene-1,3-dicarboxylate 3,5-dicarboxybenzoate","","- C30 H30 N6 O12 -","- C30 H30 N6 O12 -","- C120 H120 N24 O48 -","4","1","JQ2038","Asprilla-Herrera, Lina Maria; Techert, Simone; Velazquez-Garcia, Jose de Jesus","Synthesis and structure of tris-(2-methyl-1H-imidazol-3-ium) 5-carb-oxy-benzene-1,3-di-carboxyl-ate 3,5-di-carb-oxy-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","303","309","10.1107/S2056989025002063","","","0.71073","MoKα","","0.0661","0.0446","","","0.1078","0.1193","","","","","","1.051","","","","has coordinates","299523","2025-05-03","19:20:51",""
"2023444","34.6329","0.0005","4.84061","0.00006","19.1365","0.0003","90","","109.86","0.0016","90","","3017.33","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl (Z)-2-(4-bromophenyl)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]acetate","","- C16 H15 Br N2 O2 -","- C16 H15 Br N2 O2 -","- C128 H120 Br8 N16 O16 -","8","1","WM5749","Shikhaliyev, Namiq Q.; Babazade, Aliyar A.; Atakishiyeva, Gulnar T.; Shikhaliyeva, Irada M.; Maharramov, Abel M.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl (2Z)-(4-bromo-phen-yl)[2-(4-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2Z)-(4-bromophen-yl)[2-(3,5-di-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2Z)-[2-(4-meth-oxy-phen-yl)hydrazinyl-idene](3-nitro-phen-yl)acetate, methyl (2E)-(4-chlorophen-yl)(2-phenyl-hydrazinyl-idene)acetate and methyl (2Z)-[2-(4-bromo-phen-yl)hydrazinylidene](4-chloro-phen-yl)acetate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","314","323","10.1107/S2056989025002051","","","1.54184","CuKα","","0.0453","0.0427","","","0.1207","0.1227","","","","","","1.117","","","","has coordinates,has disorder","299526","2025-05-03","19:21:34",""
"2023445","9.8859","0.0009","12.3021","0.0011","13.979","0.0012","83.48","0.009","73.266","0.007","81.695","0.008","1606.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Methyl (Z)-2-(4-bromophenyl)-2-[2-(3,5-dimethylphenyl)hydrazin-1-ylidene]acetate","","- C17 H17 Br N2 O2 -","- C17 H17 Br N2 O2 -","- C68 H68 Br4 N8 O8 -","4","2","WM5749","Shikhaliyev, Namiq Q.; Babazade, Aliyar A.; Atakishiyeva, Gulnar T.; Shikhaliyeva, Irada M.; Maharramov, Abel M.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl (2Z)-(4-bromo-phen-yl)[2-(4-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2Z)-(4-bromophen-yl)[2-(3,5-di-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2Z)-[2-(4-meth-oxy-phen-yl)hydrazinyl-idene](3-nitro-phen-yl)acetate, methyl (2E)-(4-chlorophen-yl)(2-phenyl-hydrazinyl-idene)acetate and methyl (2Z)-[2-(4-bromo-phen-yl)hydrazinylidene](4-chloro-phen-yl)acetate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","314","323","10.1107/S2056989025002051","","","0.7527","synchrotron","","0.0842","0.0636","","","0.1715","0.1902","","","","","","1.074","","","","has coordinates","299526","2025-05-03","19:21:35",""
"2023446","18.8022","0.0005","21.9649","0.0006","7.43092","0.00015","90","","96.156","0.002","90","","3051.19","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl (Z)-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]-2-(3-nitrophenyl)acetate","","- C16 H15 N3 O5 -","- C16 H15 N3 O5 -","- C128 H120 N24 O40 -","8","1","WM5749","Shikhaliyev, Namiq Q.; Babazade, Aliyar A.; Atakishiyeva, Gulnar T.; Shikhaliyeva, Irada M.; Maharramov, Abel M.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl (2Z)-(4-bromo-phen-yl)[2-(4-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2Z)-(4-bromophen-yl)[2-(3,5-di-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2Z)-[2-(4-meth-oxy-phen-yl)hydrazinyl-idene](3-nitro-phen-yl)acetate, methyl (2E)-(4-chlorophen-yl)(2-phenyl-hydrazinyl-idene)acetate and methyl (2Z)-[2-(4-bromo-phen-yl)hydrazinylidene](4-chloro-phen-yl)acetate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","314","323","10.1107/S2056989025002051","","","1.54184","CuKα","","0.0595","0.0461","","","0.1093","0.126","","","","","","1.066","","","","has coordinates","299526","2025-05-03","19:21:35",""
"2023447","15.86326","0.00008","8.79608","0.00003","19.2468","0.00008","90","","90","","90","","2685.59","0.02","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl (E)-2-(4-chlorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetate","","- C15 H13 Cl N2 O2 -","- C15 H13 Cl N2 O2 -","- C120 H104 Cl8 N16 O16 -","8","1","WM5749","Shikhaliyev, Namiq Q.; Babazade, Aliyar A.; Atakishiyeva, Gulnar T.; Shikhaliyeva, Irada M.; Maharramov, Abel M.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl (2Z)-(4-bromo-phen-yl)[2-(4-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2Z)-(4-bromophen-yl)[2-(3,5-di-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2Z)-[2-(4-meth-oxy-phen-yl)hydrazinyl-idene](3-nitro-phen-yl)acetate, methyl (2E)-(4-chlorophen-yl)(2-phenyl-hydrazinyl-idene)acetate and methyl (2Z)-[2-(4-bromo-phen-yl)hydrazinylidene](4-chloro-phen-yl)acetate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","314","323","10.1107/S2056989025002051","","","1.54184","CuKα","","0.0308","0.0303","","","0.0814","0.0818","","","","","","1.082","","","","has coordinates","299526","2025-05-03","19:21:35",""
"2023448","14.0199","0.0016","16.594","0.0019","6.4471","0.0009","90","","90","","90","","1499.9","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Methyl (Z)-2-[2-(4-bromophenyl)hydrazin-1-ylidene]-2-(4-chlorophenyl)acetate","","- C15 H12 Br Cl N2 O2 -","- C15 H12 Br Cl N2 O2 -","- C60 H48 Br4 Cl4 N8 O8 -","4","1","WM5749","Shikhaliyev, Namiq Q.; Babazade, Aliyar A.; Atakishiyeva, Gulnar T.; Shikhaliyeva, Irada M.; Maharramov, Abel M.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl (2Z)-(4-bromo-phen-yl)[2-(4-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2Z)-(4-bromophen-yl)[2-(3,5-di-methyl-phen-yl)hydrazinyl-idene]acetate, methyl (2Z)-[2-(4-meth-oxy-phen-yl)hydrazinyl-idene](3-nitro-phen-yl)acetate, methyl (2E)-(4-chlorophen-yl)(2-phenyl-hydrazinyl-idene)acetate and methyl (2Z)-[2-(4-bromo-phen-yl)hydrazinylidene](4-chloro-phen-yl)acetate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","314","323","10.1107/S2056989025002051","","","0.7527","synchrotron","","0.0431","0.0403","","","0.1078","0.1104","","","","","","1.089","","","","has coordinates","299526","2025-05-03","19:21:35",""
"2023449","11.07179","0.00016","12.50386","0.00016","7.53969","0.00011","90","","103.235","0.0014","90","","1016.07","0.03","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Dipotassium nickel polyphosphate","","- K2 Ni O12 P4 -","- K2 Ni O12 P4 -","- K8 Ni4 O48 P16 -","4","1","EV2014","Thiam, El Waleda Moustapha; Ba, Kalidou Mamadou; Kane, Aichata Yaya; Thiam, Ibrahima Elhadji; Claiser, Nicolas; Souhassou, Mohamed; Barry, Aliou Hamady; Gaye, Mohamed","Synthesis and crystal structure of dipotassium nickel polyphosphate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","324","327","10.1107/S2056989025002221","","","0.71073","MoKα","","0.0318","0.0306","","","0.087","0.0884","","","","","","1.066","","","","has coordinates","299518","2025-05-03","19:19:49",""
"2023450","18.3835","0.0007","7.7141","0.0003","13.38","0.0005","90","","123.787","0.001","90","","1576.99","0.11","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","Aqua(1H-imidazole-κN^3^)[N-(2-oxidobenzylidene)threonato-κ^3^O,N,O']zinc(II)","","- C14 H17 N3 O5 Zn -","- C14 H17 N3 O5 Zn -","- C56 H68 N12 O20 Zn4 -","4","1","OX2014","Yoshizawa, Fumishi; Okui, Anna; Nakane, Daisuke; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of aqua-(1H-imidazole-κN 3)[N-(2-oxido-benzyl-idene)threonato-κ3 O,N,O']zinc(II).","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","332","335","10.1107/S2056989025002385","","","0.71073","MoKα","","0.0319","0.0316","","","0.0737","0.074","","","","","","1.067","","","","has coordinates","299519","2025-05-03","19:19:57",""
"2023451","14.482","0.003","9.385","0.0019","10.59","0.002","90","","108.07","0.03","90","","1368.3","0.5","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(2,4-Dimethylbenzyl)sulfanyl]pyrimidine-4,6-diamine","","- C13 H16 N4 S -","- C13 H16 N4 S -","- C52 H64 N16 S4 -","4","1","EX2091","Salieva, Gulrukh; Kholikov, Tursunali; Okmanov, Rasul Ya; Matchanov, Alimjon; Khodjaniyazov, Khamid U.; Kadirova, Shakhnoza; Torambetov, Batirbay","Synthesis, crystal structure and Hirshfeld surface analysis of 2-[(2,4-di-methyl-benz-yl)sulfan-yl]pyrimidine-4,6-di-amine.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","328","331","10.1107/S2056989025002440","","","1.54178","CuKα","","0.0549","0.0494","","","0.1438","0.1485","","","","","","1.077","","","","has coordinates","299525","2025-05-03","19:21:16",""
"2023452","32.1977","0.0019","4.6431","0.0003","26.4","0.002","90","","127.495","0.002","90","","3131.4","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-{[2-(6-Chloropyridazin-3-yl)hydrazin-1-ylidene]methyl}-2,6-dimethoxyphenol monohydrate","4-Hydroxy-3,5-dimethoxybenzaldehyde (6-chloropyridazin-3-yl)hydrazone monohydrate","","- C13 H15 Cl N4 O4 -","- C13 H15 Cl N4 O4 -","- C104 H120 Cl8 N32 O32 -","8","1","YZ2065","Ummer, Muhammed Rafi; NizamMohideen, M.; Noorulla, Mohammed Nazrudeen; Moolan Khaja, Abubacker Sidhik","Synthesis, crystal structure, and in silico mol-ecular docking studies of 4-hy-droxy-3,5-di-meth-oxy-benzaldehyde (6-chloro-pyridazin-3-yl)hydrazone monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","336","340","10.1107/S205698902500252X","","","0.71073","MoKα","","0.0581","0.0492","","","0.1253","0.1324","","","","","","1.068","","","","has coordinates","299529","2025-05-03","19:22:25",""
"2023453","10.1248","0.0001","28.7263","0.0001","12.6378","0.0001","90","0.001","96.484","0.001","90","","3652.17","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Boc-(D-Phe-tFPro-Val-Leu-Leu)~2~-OMe","Boc-(D-Phe-tFPro-Val-Leu-Leu)~2~-OMe","","- C69 H108 F2 N10 O14 -","- C69 H108 F2 N10 O14 -","- C138 H216 F4 N20 O28 -","2","1","OX2013","Akiko, Asano; Sakata, Mizuki; Takuma, Kato; Doi, Mitsunobu","Fluorine-hydrogen inter-actions observed in a helix structure having an orn-free gramicidin S sequence incorporating 4-trans-fluoro-proline.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","345","349","10.1107/S2056989025002592","","","1.54184","CuKα","","0.0255","0.0254","","","0.0672","0.0673","","","","","","1.022","","","","has coordinates","299522","2025-05-03","19:20:35",""
"2023454","9.2696","0.0001","17.6682","0.0002","21.4072","0.0002","90","","99.801","0.001","90","","3454.84","0.06","99.9","0.7","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(triphenylsulfonium) tetrachloridocadmium(II)","","- C36 H30 Cd Cl4 S2 -","- C36 H30 Cd Cl4 S2 -","- C144 H120 Cd4 Cl16 S8 -","4","1","HB8121","Artis, Rylan; Heyward, Elizabeth; Reyes, Naomi; Van Ostenbridge, Kaitlyn; Lynch, Will E.; Padgett, Clifford W.","Syntheses and crystal structures of three tri-phenyl-sulfonium halometallate salts of zinc, cadmium and mercury.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","358","363","10.1107/S2056989025002245","","","1.54184","CuKα","","0.0336","0.0263","","","0.0636","0.0658","","","","","","1.047","","","","has coordinates","299524","2025-05-03","19:21:06",""
"2023455","9.43577","0.00014","18.0709","0.0003","21.2467","0.0003","90","","95.1778","0.0014","90","","3608.05","0.1","99.8","0.8","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(triphenylsulfonium) tetrachloridomercury(II) methanol monosolvate","","- C37 H34 Cl4 Hg O S2 -","- C37 H34 Cl4 Hg O S2 -","- C148 H136 Cl16 Hg4 O4 S8 -","4","1","HB8121","Artis, Rylan; Heyward, Elizabeth; Reyes, Naomi; Van Ostenbridge, Kaitlyn; Lynch, Will E.; Padgett, Clifford W.","Syntheses and crystal structures of three tri-phenyl-sulfonium halometallate salts of zinc, cadmium and mercury.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","358","363","10.1107/S2056989025002245","","","1.54184","CuKα","","0.0366","0.0313","","","0.0775","0.0799","","","","","","1.072","","","","has coordinates","299524","2025-05-03","19:21:07",""
"2023456","9.163","0.0001","17.5749","0.0002","21.1697","0.0002","90","","99.322","0.001","90","","3364.12","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(triphenylsulfonium) tetrachloridozinc(II)","","- C36 H30 Cl4 S2 Zn -","- C36 H30 Cl4 S2 Zn -","- C144 H120 Cl16 S8 Zn4 -","4","1","HB8121","Artis, Rylan; Heyward, Elizabeth; Reyes, Naomi; Van Ostenbridge, Kaitlyn; Lynch, Will E.; Padgett, Clifford W.","Syntheses and crystal structures of three tri-phenyl-sulfonium halometallate salts of zinc, cadmium and mercury.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","358","363","10.1107/S2056989025002245","","x-ray","1.54184","CuKα","","0.0315","0.0288","","","0.0726","0.0741","","","","","","1.039","","","","has coordinates","299524","2025-05-03","19:21:07",""
"2023457","7.5248","0.0005","15.1897","0.001","17.1823","0.0009","90","","99.176","0.002","90","","1938.8","0.2","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(5-Fluoro-2-methyl-1H-inden-3-yl)acetonitrile","","- C12 H10 F N -","- C12 H10 F N -","- C96 H80 F8 N8 -","8","2","WM5750","Yun-Deng, Wu; Hui, Wan; Yun, Xia; Jie, Ni; Jian, Li; Hui, Zhang; Xiang-Yang, Xu; Jun, Xie","Crystal structure of the possible sulindac impurity 2-(5-fluoro-2-methyl-1H-inden-3-yl)aceto-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","341","344","10.1107/S2056989025002622","","","0.71073","MoKα","","0.0466","0.039","","","0.0984","0.1046","","","","","","1.028","","","","has coordinates","299527","2025-05-03","19:21:53",""
"2023458","19.6908","0.001","4.7431","0.0002","12.6482","0.0005","90","","100.4","0.004","90","","1161.88","0.09","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzyl-1-ethyl-1,2,4-triazolium bromide","","- C11 H14 Br N3 -","- C11 H14 Br N3 -","- C44 H56 Br4 N12 -","4","1","HB8128","Lerch, Timothy G.; Albert, Daniel R.; Gau, Michael; Rajaseelan, Edward","Syntheses and crystal structures of 4-benzyl-1-ethyl-1,2,4-triazolium bromide and its corresponding NHC complexes of rhodium and iridium.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","350","357","10.1107/S2056989025002671","","","0.71073","MoKα","","0.0535","0.0383","","","0.0697","0.0738","","","","","","1.053","","","","has coordinates","299528","2025-05-03","19:22:14",""
"2023459","10.1404","0.0002","10.2958","0.0002","10.3306","0.0002","116.818","0.002","103.489","0.002","93.997","0.002","916.78","0.04","100","","100","0.1","","","","","","","","5","P -1","-P 1","2","","(4-Benzyl-1-ethyl-1,2,4-triazol-5-ylidene)chlorido[(1,2,5,6-η)-cycloocta-1,5-diene]rhodium(I)","","- C19 H25 Cl N3 Rh -","- C19 H25 Cl N3 Rh -","- C38 H50 Cl2 N6 Rh2 -","2","1","","Lerch, Timothy G.; Albert, Daniel R.; Gau, Michael; Rajaseelan, Edward","Syntheses and crystal structures of 4-benzyl-1-ethyl-1,2,4-triazolium bromide and its corresponding NHC complexes of rhodium and iridium.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","350","357","10.1107/S2056989025002671","","","0.71073","MoKα","","0.0329","0.0307","","","0.0799","0.0812","","","","","","1.038","","","","has coordinates,has disorder","299528","2025-05-03","19:22:14",""
"2023460","9.47197","0.00015","9.50712","0.00015","18.7104","0.0003","79.8203","0.0014","86.1222","0.0013","89.3859","0.0013","1654.57","0.05","100","","100","","","","","","","","","7","P 1","P 1","1","","(4-Benzyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate","","- C37 H40 B F4 Ir N3 P -","- C37 H40 B F4 Ir N3 P -","- C74 H80 B2 F8 Ir2 N6 P2 -","2","2","","Lerch, Timothy G.; Albert, Daniel R.; Gau, Michael; Rajaseelan, Edward","Syntheses and crystal structures of 4-benzyl-1-ethyl-1,2,4-triazolium bromide and its corresponding NHC complexes of rhodium and iridium.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","350","357","10.1107/S2056989025002671","","","0.71073","MoKα","","0.0298","0.0274","","","0.061","0.0617","","","","","","1.048","","","","has coordinates","299528","2025-05-03","19:22:15",""
"2023461","12.1281","0.0002","14.4399","0.0002","23.7057","0.0003","90","","92.016","0.001","90","","4148.98","0.1","100","","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(4-Benzyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](tricyclohexylphosphane)iridium(I) tetrafluoridoborate dicholoromethane sesquisolvate","","- C38.5 H61 B Cl3 F4 Ir N3 P -","- C38.5 H61 B Cl3 F4 Ir N3 P -","- C154 H244 B4 Cl12 F16 Ir4 N12 P4 -","4","1","","Lerch, Timothy G.; Albert, Daniel R.; Gau, Michael; Rajaseelan, Edward","Syntheses and crystal structures of 4-benzyl-1-ethyl-1,2,4-triazolium bromide and its corresponding NHC complexes of rhodium and iridium.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","350","357","10.1107/S2056989025002671","","","0.71073","MoKα","","0.0462","0.0361","","","0.0751","0.0782","","","","","","1.051","","","","has coordinates,has disorder","299528","2025-05-03","19:22:15",""
"2023462","6.3757","0.0001","7.7506","0.0001","17.9997","0.0004","100.967","0.002","97.373","0.002","100.127","0.002","847.49","0.03","160","0.1","160","0.1","","","","","","","","4","P -1","-P 1","2","","4-(4-Hydroxyphenyl)-2-(6-methyl-2,4-dioxopyran-3-ylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C42 H36 N4 O8 -","2","1","HB8131","Faraj, Imane; El Ghayati, Lhoussaine; Blacque, Olivier; Hökelek, Tuncer; Mazzah, Ahmed; Essassi, El Mokhtar; Sebbar, Nada Kheira","Synthesis and crystal structure of 2-(2,4-dioxo-6-methyl-pyran-3-yl-idene)-4-(4-hy-droxy-phen-yl)-2,3,4,5-tetra-hydro-1H-1,5-benzodiazepine.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","381","384","10.1107/S2056989025003032","","x-ray","1.54184","CuKα","","0.0467","0.0412","","","0.1106","0.1146","","","","","","1.076","","","","has coordinates","299932","2025-06-03","19:26:28",""
"2023463","7.607","0.0005","11.587","0.0006","21.8705","0.0013","90","","90","","90","","1927.7","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R,R)-N^1^-(2-Hydroxyethyl)-N^1^,N^2^,N^2^-trimethylcyclohexane-1,2-bis(aminium) tetrachloridoferrate chloride","","- C11 H26 Cl5 Fe N2 O -","- C11 H26 Cl5 Fe N2 O -","- C44 H104 Cl20 Fe4 N8 O4 -","4","1","ZN2042","Klotz, Franziska Dorothea; Alonso Felipe, Clara; Villafañe, Fernando; Strohmann, Carsten","Synthesis and crystal structure study of (R,R)-TMCDA ethanol derivatives doubly protonated with FeCl4 - and Cl- as counter-ions.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","372","376","10.1107/S2056989025003019","","x-ray","0.71073","MoKα","","0.0284","0.0258","","","0.0611","0.0628","","","","","","1.07","","","","has coordinates,has disorder","299933","2025-06-03","19:26:45",""
"2023464","10.2322","0.0003","9.2378","0.0005","10.7384","0.0004","90","","116.797","0.001","90","","906.02","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(R,R)-N^1^,N^1^,N^2^,N^2^-Tetramethylcyclohexane-1,2-bis(aminium) tetrachloridoferrate chloride","","- C10 H24 Cl5 Fe N2 -","- C10 H24 Cl5 Fe N2 -","- C20 H48 Cl10 Fe2 N4 -","2","1","","Klotz, Franziska Dorothea; Alonso Felipe, Clara; Villafañe, Fernando; Strohmann, Carsten","Synthesis and crystal structure study of (R,R)-TMCDA ethanol derivatives doubly protonated with FeCl4 - and Cl- as counter-ions.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","372","376","10.1107/S2056989025003019","","x-ray","0.71073","MoKα","","0.0195","0.0176","","","0.036","0.037","","","","","","1.059","","","","has coordinates","299933","2025-06-03","19:26:45",""
"2023465","8.3562","0.0004","9.2666","0.0004","9.9151","0.0004","76.685","0.002","65.316","0.001","84.909","0.002","678.83","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4-Amino-N'-[(1E)-1-(3-hydroxyphenyl)ethylidene]benzohydrazide","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C30 H30 N6 O4 -","2","1","WM5754","Maheswari, Subramani Uma; Senthilkumar, Srinivasan; Selvanayagam, Sivashanmugam","Crystal structure, Hirshfeld surface analysis and DFT studies of 4-amino-N'-[(1E)-1-(3-hy-droxyphen-yl)ethyl-idene]benzohydrazide.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","389","392","10.1107/S205698902500297X","","","0.71073","MoKα","","0.0678","0.0495","","","0.1191","0.1336","","","","","","1.052","","","","has coordinates","299934","2025-06-03","19:26:53",""
"2023466","5.3966","0.0002","5.3966","0.0002","7.2153","0.0003","90","","90","","120","","181.981","0.012","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","Disodium barium zirconium bis(orthosilicate)","","- Ba Na2 O8 Si2 Zr -","- Ba Na2 O8 Si2 Zr -","- Ba Na2 O8 Si2 Zr -","1","0.166667","WM5753","Yamane, Hisanori; Funahashi, Shiro; Hirosaki, Naoto; Takeda, Takashi","Orthosilicates with glaserite-type crystal structures: Na2BaZr[SiO4]2 and Na2BaHf[SiO4]2.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","368","371","10.1107/S2056989025002956","","x-ray","0.71073","MoKα","","0.0187","0.0158","","","0.0343","0.0352","","","","","","1.112","","","","has coordinates","299936","2025-06-03","19:27:11",""
"2023467","5.3889","0.0002","5.3889","0.0002","7.1996","0.0002","90","","90","","120","","181.067","0.011","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","Disodium barium hafnium bis(orthosilicate)","","- Ba Hf Na2 O8 Si2 -","- Ba Hf Na2 O8 Si2 -","- Ba Hf Na2 O8 Si2 -","1","0.166667","WM5753","Yamane, Hisanori; Funahashi, Shiro; Hirosaki, Naoto; Takeda, Takashi","Orthosilicates with glaserite-type crystal structures: Na2BaZr[SiO4]2 and Na2BaHf[SiO4]2.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","368","371","10.1107/S2056989025002956","","x-ray","0.71073","MoKα","","0.0107","0.0103","","","0.0234","0.0235","","","","","","1.106","","","","has coordinates","299936","2025-06-03","19:27:12",""
"2023468","8.8347","0.0004","9.4124","0.0005","20.5526","0.0011","90","","90","","90","","1709.07","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Bromo-2-chlorophenyl 4'-methoxy-[1,1'-biphenyl]-4-carboxylate","","- C20 H14 Br Cl O3 -","- C20 H14 Br Cl O3 -","- C80 H56 Br4 Cl4 O12 -","4","1","HB8126","Palakshamurthy, B. S.; Anil Kumar, H.; Devarajegowda, H. C.; Srinivasa, H. T.; Harish Kumar, M.","Synthesis and structure of 4-bromo-2-chloro-phenyl 4'-meth-oxy-[1,1'-biphen-yl]-4-carboxyl-ate featuring short halogen⋯oxygen contacts.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","364","367","10.1107/S2056989025002658","","","0.71073","MoKα","","0.0268","0.0234","","","0.0525","0.0536","","","","","","1.038","","","","has coordinates","299938","2025-06-03","19:27:30",""
"2023469","9.5384","0.0004","10.1543","0.0004","16.2521","0.0008","81.511","0.003","75.79","0.003","75.92","0.003","1473.62","0.11","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","Poly[tetraaquabis[4,7-bis(1H-pyrazol-4-yl)benzo[c][1,2,5]thiadiazole][μ~4~-5,5'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)diisophthalato]dinickel(II)]","","- C60 H50 N16 Ni2 O19 S2 -","- C60 H50 N16 Ni2 O19 S2 -","- C60 H50 N16 Ni2 O19 S2 -","1","0.5","NX2022","Li, Yi; Xie, Wang; Lin, Chen","An Ni-based coordination polymer with a bamboo-like crystal structure.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","377","380","10.1107/S2056989025002993","","","1.54178","CuKα","","0.0937","0.0764","","","0.2316","0.2474","","","","","","1.057","","","","has coordinates","299939","2025-06-03","19:27:38",""
"2023470","21.1989","0.0006","9.5096","0.0003","17.633","0.0005","90","","110.483","0.001","90","","3329.95","0.17","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[(4-Chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol","","- C17 H22 Cl N3 O -","- C17 H22 Cl N3 O -","- C136 H176 Cl8 N24 O8 -","8","2","VM2312","Mohan Kumar, Thaluru M.; Sowbhagya, Chaluvarangaiah; Yathirajan, Hemmige S.; Parkin, Sean","Crystal structure and Hirshfeld surface analysis of the fungicide metconazole.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","385","388","10.1107/S205698902500310X","","","0.71073","MoKα","","0.045","0.0381","","","0.0964","0.1001","","","","","","1.146","","","","has coordinates","299942","2025-06-03","19:28:05",""
"2023471","11.0702","0.0002","13.5058","0.0002","19.07","0.0003","90","","102.006","0.002","90","","2788.82","0.08","95","2","95","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ~3~-chlorido-1:2:3κ^3^Cl;2:3:4κ^3^Cl-di-μ~2~-chlorido-1:2κ^2^Cl;3:4κ^2^Cl-tetrakis[(4-amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one-κ^2^O,N^4^)chloridocadmium(II)] 1.7-hydrate","","- C44 H55.4 Cd4 Cl8 N12 O5.7 -","- C44 H55.4 Cd4 Cl8 N12 O5.7 -","- C88 H110.8 Cd8 Cl16 N24 O11.4 -","2","0.5","HB8132","Stoeckli-Evans, Helen; Shankar, M. G.; Kumaravel, R.; Subashini, A.; Sabari Girisun, T.; Ramamurthi, K.; Kučeráková, Monika; Dušek, Michal; Crochet, Aurélien","Di-μ3-chlorido-1:2:3κ3 Cl;2:3:4κ3 Cl-di-μ2-chlorido-1:2κ2 Cl;3:4κ2 Cl-tetra-kis-[(4-amino-1,5-dimethyl-2-phenyl-2,3-di-hydro-1H-pyrazol-3-one-κ2 N 4,O)chlorido-cadmium(II)] 1.7-hydrate: a new six-coordinate geometry index, τ6.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","393","400","10.1107/S2056989025003123","","x-ray","0.71073","MoKα","","0.028","0.0223","","","0.0485","0.0508","","","","","","1.05","","","","has coordinates","299928","2025-06-03","19:25:51",""
"2023472","6.4819","0.0004","7.4766","0.0005","9.0627","0.0005","90","","99.546","0.002","90","","433.12","0.05","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Methoxybicyclo[3.3.1]non-3-ene-2,9-dione","","- C10 H12 O3 -","- C10 H12 O3 -","- C20 H24 O6 -","2","1","EV2016","König, Julien A; Morgenstern, Bernd; Jauch, Johann","Synthesis and crystal structure analysis of substituted bi-cyclo-[3.3.1]nona-nones.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","405","411","10.1107/S2056989025003299","","","0.71073","MoKα","","0.0314","0.0296","","","0.0728","0.0744","","","","","","1.078","","","","has coordinates","299926","2025-06-03","19:25:31",""
"2023473","7.733","0.0015","10.976","0.002","13.874","0.003","101.984","0.005","92.032","0.005","90.293","0.005","1151.1","0.4","152","2","152","2","","","","","","","","3","P -1","-P 1","2","","4,9,9-Trimethoxybicyclo[3.3.1]non-3-en-2-ol","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","2","EV2016","König, Julien A; Morgenstern, Bernd; Jauch, Johann","Synthesis and crystal structure analysis of substituted bi-cyclo-[3.3.1]nona-nones.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","405","411","10.1107/S2056989025003299","","","0.71073","MoKα","","0.1158","0.057","","","0.1178","0.1391","","","","","","0.981","","","","has coordinates","299926","2025-06-03","19:25:32",""
"2023474","14.1871","0.0006","6.3306","0.0002","22.4159","0.0008","90","","101.702","0.001","90","","1971.39","0.13","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Methoxy-6-methyl-1-(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione","","- C22 H32 O3 -","- C22 H32 O3 -","- C88 H128 O12 -","4","1","EV2016","König, Julien A; Morgenstern, Bernd; Jauch, Johann","Synthesis and crystal structure analysis of substituted bi-cyclo-[3.3.1]nona-nones.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","405","411","10.1107/S2056989025003299","","","0.71073","MoKα","","0.0685","0.0455","","","0.1024","0.1159","","","","","","1.05","","","","has coordinates","299926","2025-06-03","19:25:32",""
"2023475","15.1165","0.0005","13.9068","0.0004","12.815","0.0004","90","","113.218","0.001","90","","2475.81","0.13","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-tert-Butyl-4-hydroxy-2-methoxy-8-methyl-7-(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-2-en-9-one","","- C26 H42 O3 -","- C26 H42 O3 -","- C104 H168 O12 -","4","1","EV2016","König, Julien A; Morgenstern, Bernd; Jauch, Johann","Synthesis and crystal structure analysis of substituted bi-cyclo-[3.3.1]nona-nones.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","405","411","10.1107/S2056989025003299","","","0.71073","MoKα","","0.0487","0.0403","","","0.1008","0.1083","","","","","","1.052","","","","has coordinates","299926","2025-06-03","19:25:32",""
"2023476","6.3603","0.0002","7.644","0.0003","16.4098","0.0006","84.334","0.001","84.82","0.001","67.518","0.001","732.38","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(diisopropylamino)fluoroborane","","- C12 H28 B F N2 -","- C12 H28 B F N2 -","- C24 H56 B2 F2 N4 -","2","1","JY2057","Lenz, Tabea; Hebenbrock, Marian","Crystal structure of bis-(diiso-propyl-amino)-fluoro-borane.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","401","404","10.1107/S2056989025003160","","","0.71073","MoKα","","0.045","0.042","","","0.1071","0.1096","","","","","","1.084","","","","has coordinates","299930","2025-06-03","19:26:12",""
"2023477","11.3526","0.0003","12.0162","0.0003","13.3087","0.0003","97.08","0.001","114.406","0.001","107.335","0.001","1513.47","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","5,5-Diphenyl-3-(2-propyn-1-yl)imidazolidine-2,4-dione","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","2","VM2311","El Moutaouakil Ala Allah, Abderrazzak; Massera, Chiara; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","Synthesis, crystal structure and Hirshfeld surface analysis of 5,5-diphenyl-3-(prop-2-yn-1-yl)imidazolidine-2,4-dione.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","412","416","10.1107/S2056989025003391","","","1.54178","CuKα","","0.046","0.04","","","0.1115","0.1173","","","","","","1.024","","","","has coordinates","299925","2025-06-03","19:25:13",""
"2023478","10.1901","0.0006","12.2379","0.001","7.6165","0.0009","90","","103.379","0.01","90","","924.04","0.15","200","2","200.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(4-methylpyridine-κN)bis(thiocyanato-κN)cobalt(II)","","- C14 H18 Co N4 O2 S2 -","- C14 H18 Co N4 O2 S2 -","- C28 H36 Co2 N8 O4 S4 -","2","0.5","HB8129","Näther, Christian; Boeckmann, Jan","Synthesis, crystal structure and thermal properties of di-aqua-bis-(4-methyl-pyridine-κN)bis-(thio-cyanato-κN)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","420","424","10.1107/S2056989025003469","","","0.71073","MoKα","","0.0519","0.0471","","","0.1392","0.1427","","","","","","1.043","","","","has coordinates","299927","2025-06-03","19:25:41",""
"2023479","7.9057","0.0003","10.1929","0.0003","12.2794","0.0003","83.238","0.001","89.201","0.001","71.122","0.001","929.45","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-[4-(2-Methylpropyl)phenyl]-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]propanehydrazide","","- C19 H24 N2 O S -","- C19 H24 N2 O S -","- C38 H48 N4 O2 S2 -","2","1","DX2065","Jayadevan, Sarayu; Sujith, K. V.; Biju, A. R.","Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[4-(2-methyl-prop-yl)phen-yl]-N'-[(1Z)-1-(thio-phen-2-yl)ethyl-idene]propane-hydrazide.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","417","419","10.1107/S2056989025003329","","x-ray","0.71073","MoKα","","0.0456","0.0409","","","0.1172","0.1229","","","","","","1.028","","","","has coordinates","299931","2025-06-03","19:26:20",""
"2023480","20.3154","0.0013","6.6466","0.0004","28.077","0.0015","90","","96.389","0.006","90","","3767.6","0.4","293","2","293.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Ketorolac tromethamine","1,3-Dihydroxy-2-(hydroxymethyl)propan-2-aminium 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C152 H192 N16 O48 -","8","1","EX2090","Shaposhnyk, Anna M.; Rudiuk, Vitalii V.; Baumer, Vyacheslav N.","Crystal structure and Hirshfeld surface analysis of ketorolac tromethamine.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","433","437","10.1107/S2056989025003226","","","0.71073","MoKα","","0.0904","0.0566","","","0.143","0.1787","","","","","","1.044","","","","has coordinates","299937","2025-06-03","19:27:22",""
"2023481","10.975","0.003","6.7837","0.0015","21.803","0.004","90","","90.222","0.014","90","","1623.2","0.6","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[aqua(μ~2~-pyrazine-κ^2^N:N')(μ~2~-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-κ^2^O^1^:O^4^)copper(II)] hemihydrate]","","- C24 H14 Cl8 Cu2 N4 O11 -","- C24 H14 Cl8 Cu2 N4 O11 -","- C48 H28 Cl16 Cu4 N8 O22 -","2","0.5","JP2018","Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro","Crystal structure of poly[[aqua-(μ2-pyrazine-κ2 N:N')(μ2-2,3,5,6-tetra-chloro-benzene-1,4-di-car-boxyl-ato-κ2 O 1:O 4)copper(II)] hemihydrate].","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","429","432","10.1107/S2056989025003457","","","0.7107","MoKα","","0.0383","0.0341","","","0.0962","0.109","","","","","","1.176","","","","has coordinates","299940","2025-06-03","19:27:46",""
"2023482","11.26039","0.00013","12.26667","0.00015","33.0963","0.0003","90","","90","","90","","4571.51","0.09","99.99","0.1","99.99","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-({3-[(3,5-Dioxo-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-en-4-yl)methyl]phenyl}methyl)-4-azatetracyclo[5.3.2.0^2,6^.0^8,10^]dodec-11-ene-3,5-dione","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C240 H224 N16 O32 -","8","1","NY2012","Jiang, Christina Yu; Staples, Richard J.; Biros, Shannon M.","Crystal structure of a bis-4-aza-tetra-cyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione compound.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","425","428","10.1107/S2056989025003500","","x-ray","1.54184","CuKα","","0.0467","0.0412","","","0.1124","0.1171","","","","","","1.07","","","","has coordinates","299943","2025-06-03","19:28:14",""
"2023483","14.5942","0.0002","14.5942","0.0002","15.4565","0.0002","90","","90","","120","","2851.03","0.07","120","","120","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","6,16,25(1,4)-Tribenzena-1,4,8,11,14,18,23,27-octaazabicyclo[9.9.9]nonacosaphane-4,7,14,17,23,26-hexaene hexahydrate","","- C36 H54 N8 O6 -","- C36 H54 N8 O6 -","- C108 H162 N24 O18 -","3","0.166667","NX2023","Baisch, Ulrich; Scicluna, Marie Christine; Vella-Zarb, Liana","Rapid and facile one-step microwave synthesis of macrobicyclic cryptands.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","448","451","10.1107/S2056989025003044","","x-ray","0.64066","synchrotron","","0.0293","0.0292","","","0.0824","0.0824","","","","","","1.058","","","","has coordinates","299929","2025-06-03","19:26:03",""
"2023484","10.5608","0.0003","10.8048","0.0003","12.8872","0.0004","90","","90","","90","","1470.52","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-Dichloro-3,3-diethoxy-1-(4-fluorophenyl)propan-1-ol","","- C13 H17 Cl2 F O3 -","- C13 H17 Cl2 F O3 -","- C52 H68 Cl8 F4 O12 -","4","1","OI2015","Guseynova, Saadet N.; Samigullina, Aida I.; Demir, Cemile Baydere; Dege, Necmi; Sepay, Nayim; Zangrando, Ennio; Hasanov, Khudayar I.; Belay, Alebel N.","Synthesis, crystal structure and Hirshfeld surface analysis of 2,2-di-chloro-3,3-dieth-oxy-1-(4-fluoro-phen-yl)propan-1-ol.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","444","447","10.1107/S2056989025002154","","","1.54184","CuKα","","0.0247","0.0247","","","0.0654","0.0654","","","","","","1.053","","","","has coordinates","299935","2025-06-03","19:27:01",""
"2023485","20.2393","0.0011","10.6519","0.0008","19.4225","0.0011","90","","106.614","0.005","90","","4012.4","0.4","95","2","95","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-4-Amino-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-1-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one","","- C22 H22 N6 O2 -","- C22 H22 N6 O2 -","- C176 H176 N48 O16 -","8","1","HB8135","Kumaravel, R.; Stoeckli-Evans, Helen; Subashini, A.; Shankar, M. G.; Kučeráková, Monika; Dušek, Michal; Crochet, Aurélien; Ramamurthi, K.","Structure of (E)-4-amino-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-di-hydro-1H-pyrazol-4-yl)imino]-meth-yl}-1-methyl-2-phenyl-2,3-di-hydro-1H-pyrazol-3-one: aerial oxidation of 4-amino-anti-pyrine in di-methyl-formamide.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 5","438","443","10.1107/S2056989025003676","","","1.54184","CuKα","","0.0928","0.0576","","","0.1118","0.1373","","","","","","1.09","","","","has coordinates","299941","2025-06-03","19:27:55",""
"2312828","6.4597","0.0008","9.2666","0.0011","17.382","0.002","104.113","0.005","96.645","0.005","99.656","0.005","981.3","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-8-nitro-3,4-dihydroquinolin-2(1H)-one","","- C20 H26 N6 O4 -","- C20 H26 N6 O4 -","- C40 H52 N12 O8 -","2","1","TX2094","Dutta, Arnab; Dhasmana, Yogesh; Mohan, T. P.; Selvakumar, B.; Chopra, Deepak","Crystal structure and Hirshfeld surface analysis of 6-[4-(1-cyclo-hexyl-1H-tetra-zol-5-yl)but-oxy]-8-nitro-3,4-di-hydro-quinolin-2(1H)-one.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","284","288","10.1107/S2056989025001793","","x-ray","0.71073","MoKα","","0.1012","0.0689","","","0.1302","0.1414","","","","","","1.08","","","","has coordinates","299506","2025-05-03","19:02:26",""
"2312829","15.8765","0.0004","16.2381","0.0003","8.0187","0.0002","90","","92.984","0.002","90","","2064.45","0.08","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloridobis(propyl 4-{[1-(2-methyl-4-nitrophenyl)-1H-1,2,3-triazol-4-yl]methoxy}benzoate)copper(II)","","- C40 H40 Cl2 Cu N8 O10 -","- C40 H40 Cl2 Cu N8 O10 -","- C80 H80 Cl4 Cu2 N16 O20 -","2","0.5","EJ2010","Hakimov, Muminjon; Ortikov, Ilkhomjon; Sattarov, Tulkinjon; Tashkhodjaev, Bakhodir; Tojiboev, Akmaljon","Synthesis, crystal structure and Hirshfeld surface analysis of a propyl 4-{[1-(2-methyl-4-nitro-phen-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}benzoate copper(II) chloride complex.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","271","274","10.1107/S2056989025001732","","","1.54184","CuKα","","0.0659","0.0583","","","0.1652","0.1706","","","","","","1.075","","","","has coordinates","299507","2025-05-03","19:02:51",""
"2312830","12.692","0.003","11.349","0.002","25.812","0.005","90","","95.29","0.03","90","","3702.2","1.3","100.1","1","100.1","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(5,6-Dimethyl-1,10-phenanthroline)(2-{[2-(diphenylphosphanyl)benzylidene]amino}ethan-1-amine)platinum(II) dinitrate methanol disolvate","","- C37 H41 N6 O8 P Pt -","- C37 H41 N6 O8 P Pt -","- C148 H164 N24 O32 P4 Pt4 -","4","1","NY2011","Jurisinec, Ashley; Zhang, Yingjie; Aldrich-Wright, Janice R","(5,6-Dimethyl-1,10-phenanthroline)(2-{[2-(di-phenyl-phosphan-yl)benzyl-idene]amino}-ethan-1-amine)-platinum(II) dinitrate methanol disolvate.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","275","278","10.1107/S2056989025001847","","","0.71078","silicondoublecrystalmonochromatedsynchrotron","","0.0462","0.0404","","","0.1022","0.1079","","","","","","1.039","","","","has coordinates","299508","2025-05-03","19:03:51",""
"2312831","9.12784","0.00017","9.29662","0.00017","10.85172","0.00019","83.0139","0.0014","73.4998","0.0016","71.4982","0.0016","836.8","0.03","100","2","99.98","0.11","","","","","","","","6","P -1","-P 1","2","","1-Amino-3-(4-chlorophenyl)-2-cyano-3H-benzo[4,5]thiazolo[3,2-a]pyridine-4-carboxamide","","- C19 H13 Cl N4 O S -","- C19 H13 Cl N4 O S -","- C38 H26 Cl2 N8 O2 S2 -","2","1","YZ2064","Metwally, Nadia H.; Elgemeie, Galal H.; Abd Al-Latif, El-Shimaa S M; Jones, Peter G.","Crystal structure of 1-amino-3-(4-chloro-phen-yl)-2-cyano-3H-benzo[4,5]thia-zolo[3,2-a]pyridine-4-carboxamide.","Acta crystallographica. Section E, Crystallographic communications","2025","81","Pt 4","279","283","10.1107/S2056989025001562","","x-ray","0.71073","MoKα","","0.0387","0.0293","","","0.0877","0.0918","","","","","","1.047","","","","has coordinates","299509","2025-05-03","19:04:26",""