# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-02T03:41:10+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica Section E Crystallographic Communications') AND volume = 80 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
"2023078","11.467","0.0002","8.4852","0.0002","20.4823","0.0004","90","","105.135","0.002","90","","1923.8","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl 4'-bromo-3-oxo-5-(thiophen-2-yl)-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2,4-dicarboxylate","","- C20 H17 Br O5 S -","- C20 H17 Br O5 S -","- C80 H68 Br4 O20 S4 -","4","1","NX2007","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Asadov, Khammed A.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of dimethyl 4′-bromo-3-oxo-5-(thiophen-2-yl)-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2,4-dicarboxylate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002858","","x-ray","0.71073","MoKα","","0.0441","0.0335","","","0.0827","0.0863","","","","","","1.023","","","","has coordinates,has disorder","291079","2024-04-05","01:56:14",""
"2023079","10.7082","0.0008","7.027","0.0006","13.882","0.001","90","","91.679","0.01","90","","1044.12","0.14","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-Cyano-2-isonitrosoacetamide–3,4-dimethylpyrazole (1/1)","2-Cyano-2-isonitrosoacetamide–3,4-dimethylpyrazole (1/1)","","- C8 H11 N5 O2 -","- C8 H11 N5 O2 -","- C32 H44 N20 O8 -","4","1","HB8093","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Ponomarova, Vira V.; Lysenko, Andrey B.; Krautscheid, Harald","2-Cyano-2-isonitrosoacetamide–3,4-dimethylpyrazole (1/1): a co-crystal of two molecules with agrochemical activities","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002809","","x-ray","1.54186","CuKα","","0.0726","0.0474","","","0.1149","0.1278","","","","","","0.993","","","","has coordinates","291080","2024-04-05","01:56:29",""
"2023080","7.4584","0.0002","7.7429","0.0003","13.2461","0.0003","103.025","0.002","98.735","0.002","90.769","0.002","735.73","0.04","123","","123","","","","","","","","","4","P -1","-P 1","2","cis-Jasmone 4-ethylthiosemicarbazone","<i>N</i>-Ethyl-2-{3-methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","","- C14 H23 N3 S -","- C14 H23 N3 S -","- C28 H46 N6 S2 -","2","1","YZ2054","Oliveira, Adriano Bof de; Beck, Johannes; Daniels, Jörg","Synthesis, crystal structure and Hirshfeld analysis of N-ethyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002913","","x-ray","0.71073","MoKα","","0.0447","0.0341","","","0.0787","0.0845","","","","","","1.019","","","","has coordinates,has disorder","291156","2024-04-10","02:02:25",""
"2023081","7.1686","0.0005","4.8491","0.0003","19.1276","0.0014","90","","90","","90","","664.9","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Hydroxypentanehydrazide","","- C5 H12 N2 O2 -","- C5 H12 N2 O2 -","- C20 H48 N8 O8 -","4","1","VM2296","Justen, Guilherme Augusto; Carneiro Neto, José Severiano; Sousa Santana, Francielli; Leiriane Batistel Ribas, Maria; Gomes da Silva de Paula, Felipe; Dario, Priscila Paola; Gonçalves Montes D'Oca, Marcelo","Crystal structure and Hirshfeld surface analysis of 5-hydroxypentanehydrazide","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002871","","","0.71073","MoKα","","0.023","0.022","","","0.0583","0.0587","","","","","","1.083","","","","has coordinates","291157","2024-04-10","02:02:42",""
"2023082","8.2816","0.0002","17.4856","0.0003","14.9186","0.0003","90","","104.478","0.002","90","","2091.74","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>H</i>-Imidazole-κ<i>N</i>^3^)[4-methyl-2-({[2-oxido-5-(2-phenyldiazen-1-yl)phenyl]methylidene}amino)pentanoate-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","","- C22 H23 Cu N5 O3 -","- C22 H23 Cu N5 O3 -","- C88 H92 Cu4 N20 O12 -","4","2","EE2005","Kaneda, Ai; Suzuki, Soma; Nakane, Daisuke; Kashiwagi, Yukiyasu; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of (1H-imidazole-κN 3)[4-methyl-2-({[2-oxido-5-(2-phenyldiazen-1-yl)phenyl]methylidene}amino)pentanoate-κ3 O,N,O′]copper(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002986","","x-ray","1.54184","CuKα","","0.0397","0.036","","","0.0932","0.0957","","","","","","1.052","","","","has coordinates","291225","2024-04-16","02:11:51",""
"2023083","11.902","0.0002","26.4007","0.0002","7.1933","0.0001","90","","104.299","0.001","90","","2190.26","0.05","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","Tris(2-methylpyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C20 H21 Co N5 O3 S2 -","- C20 H21 Co N5 O3 S2 -","- C80 H84 Co4 N20 O12 S8 -","4","1","JP2003","Näther, Christian; Jess, Inke","Synthesis, crystal structure and properties of the trigonal–bipyramidal complex tris(2-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003050","","x-ray","1.54184","CuKα","","0.0334","0.0331","","","0.0887","0.089","","","","","","1.037","","","","has coordinates","291226","2024-04-16","02:12:09",""
"2023084","10.6861","0.0004","13.0639","0.0005","15.7006","0.0006","96.304","0.002","107.142","0.002","110.766","0.002","1901.24","0.13","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","(1<i>H</i>-Imidazole){tris[(1-benzyltriazol-4-yl-κ<i>N</i>^3^)methyl]amine-κ<i>N</i>}cobalt(II) bis(tetrafluoroborate)","","- C33 H34 B2 Co F8 N12 -","- C33 H34 B2 Co F8 N12 -","- C66 H68 B4 Co2 F16 N24 -","2","1","JY2045","Batra, Vipul; Reed, Garrett C.; Tierney, David L.","Structure of the five-coordinate CoII complex (1H-imidazole){tris[(1-benzyltriazol-4-yl-κN 3)methyl]amine-κN}cobalt(II) bis(tetrafluoroborate)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S205698902400330X","","","0.71073","MoKα","","0.0707","0.0491","","","0.1084","0.1178","","","","","","1.037","","","","has coordinates,has disorder","291288","2024-04-19","04:39:07",""
"2023085","12.5716","0.0006","8.394","0.0003","20.3319","0.0007","90","","90","","90","","2145.54","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Trichlorido(4-methylpiperidine)gold(III)","","- C6 H13 Au Cl3 N -","- C6 H13 Au Cl3 N -","- C48 H104 Au8 Cl24 N8 -","8","1","PK2705","Döring, Cindy; Jones, Peter G.","Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002822","","","0.71073","MoKα","","0.0426","0.0242","","","0.0383","0.0419","","","","","","1.046","","","","has coordinates","291289","2024-04-19","04:39:37",""
"2023086","9.9871","0.0005","7.1505","0.0004","15.716","0.0008","90","","90","","90","","1122.32","0.1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tribromido(4-methylpiperidine)gold(III)","","- C6 H13 Au Br3 N -","- C6 H13 Au Br3 N -","- C24 H52 Au4 Br12 N4 -","4","0.5","PK2705","Döring, Cindy; Jones, Peter G.","Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002822","","","0.71073","MoKα","","0.0422","0.0295","","","0.0472","0.0504","","","","","","1.11","","","","has coordinates","291289","2024-04-19","04:39:38",""
"2023087","12.6471","0.0005","8.7247","0.0003","21.0262","0.0007","90","","90","","90","","2320.08","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tribromido(4-methylpiperidine)gold(III)","","- C6 H13 Au Br3 N -","- C6 H13 Au Br3 N -","- C48 H104 Au8 Br24 N8 -","8","1","PK2705","Döring, Cindy; Jones, Peter G.","Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002822","","","0.71073","MoKα","","0.052","0.0294","","","0.0388","0.0429","","","","","","1.035","","","","has coordinates","291289","2024-04-19","04:39:38",""
"2023088","10.2188","0.0005","10.7365","0.0005","20.4119","0.001","84.376","0.002","89.298","0.002","70.167","0.002","2095.97","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,4-Diamino-6-[(1<i>Z</i>,3<i>E</i>)-1-cyano-2,4-diphenylpenta-1,3-dien-1-yl]pyridine-3,5-dicarbonitrile monohydrate","","- C25 H20 N6 O -","- C25 H20 N6 O -","- C100 H80 N24 O4 -","4","2","OX2003","Mamedov, İbrahim G.; Khrustalev, Victor N.; Akkurt, Mehmet; Kerimli, Fuad Sh.; Bhattarai, Ajaya; Khalilov, Ali N.; Naghiyev, Farid N.","Crystal structure and Hirshfeld surface analysis of 2,4-diamino-6-[(1Z,3E)-1-cyano-2,4-diphenylpenta-1,3-dien-1-yl]pyridine-3,5-dicarbonitrile monohydrate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002962","","","0.71073","MoKα","","0.0717","0.0492","","","0.1264","0.1433","","","","","","1.016","","","","has coordinates","291290","2024-04-19","04:39:59",""
"2023089","11.46665","0.00013","12.37103","0.00015","13.58185","0.00017","90","","97.0894","0.0011","90","","1911.91","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-methylpyridine <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>)bis[(methanol-κ<i>O</i>)(4-methylpyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)]","","- C30 H36 Co2 N8 O6 S4 -","- C30 H36 Co2 N8 O6 S4 -","- C60 H72 Co4 N16 O12 S8 -","2","0.5","JP2005","Näther, Christian; Jess, Inke","Synthesis, crystal structure and thermal properties of the dinuclear complex bis(μ-4-methylpyridine N-oxide-κ2 O:O)bis[(methanol-κO)(4-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II)]","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003128","","x-ray","1.54184","CuKα","","0.0385","0.0376","","","0.1024","0.103","","","","","","1.087","","","","has coordinates","291291","2024-04-19","04:40:15",""
"2023090","16.1699","0.0007","21.1139","0.001","30.0046","0.0014","90","","91.576","0.002","90","","10240","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[tris(diisobutyldithiocarbamato)-μ~3~-sulfido-tri-μ~2~-disulfido-trimolybdenum(IV)] sulfide tetrahydrofuran monosolvate","","- C54 H108 Mo6 N6 S27 -","- C54 H108 Mo6 N6 S27 -","- C216 H432 Mo24 N24 S108 -","4","1","OI2005","Fraker, Addison; Donahue, James P.; McSkimming, Alex","Bis[tris(diisobutyldithiocarbamato)-μ3-sulfido-tri-μ2-disulfido-trimolybdenum(IV)] sulfide tetrahydrofuran monosolvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002949","","","1.54178","CuKα","","0.0434","0.0379","","","0.084","0.0889","","","","","","1.146","","","","has coordinates,has disorder","291292","2024-04-19","04:40:53",""
"2023091","5.77","0.0001","8.3069","0.0002","14.6243","0.0005","82.891","0.002","87.004","0.004","74.172","0.002","669.07","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-[(1<i>E</i>)-1-[(Carbamothioylamino)imino]ethyl]phenyl propanoate","","- C12 H15 N3 O2 S -","- C12 H15 N3 O2 S -","- C24 H30 N6 O4 S2 -","2","1","WM5713","Madhan, Sundarasamy; NizamMohideen, Mohamed; Viswanathan, Vijayan; Karthik Ananth, Mani; Narasimhan, Srinivasan","Synthesis, crystal structure and Hirshfeld surface analysis of 4-{(1E)-1-[(carbamothioylamino)imino]ethyl}phenyl propanoate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003177","","","0.71073","MoKα","","0.0859","0.0654","","","0.1994","0.2189","","","","","","1.089","","","","has coordinates,has disorder","291293","2024-04-19","04:41:11",""
"2023092","10.178","0.002","5.9156","0.0011","7.7158","0.0014","90","","112.658","0.014","90","","428.71","0.15","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Ammonium trinickel(II) hydrogen arsenate arsenate dihydroxide","","- As2 H7 N Ni3 O10 -","- As2 H3 N Ni3 O10 -","- As4 H6 N2 Ni6 O20 -","2","0.25","HB8094","Eder, Felix; Weil, Matthias","Synthesis and crystal structure of (NH4)[Ni3(HAsO4)(AsO4)(OH)2]","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003487","","","0.71073","MoKα","","0.095","0.0675","","","0.1984","0.2288","","","","","","1.04","","","","has coordinates","291378","2024-04-27","01:54:33",""
"2023093","9.427","0.0005","9.4386","0.0004","12.3849","0.0007","95.392","0.003","96.849","0.003","106.512","0.003","1039.49","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-4-({[2-(Benzo[<i>b</i>]thiophen-3-yl)cyclopent-1-en-1-yl]methyl}(phenyl)amino)-4-oxobut-2-enoic acid","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C48 H42 N2 O6 S2 -","2","1","NX2009","Yakovleva, Elizaveta D.; Shelukho, Evgeniya R.; Grigoriev, Mikhail S.; Hasanov, Khudayar I.; Sadikhova, Nurlana D.; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (Z)-4-({[2-(benzo[b]thiophen-3-yl)cyclopent-1-en-1-yl]methyl}(phenyl)amino)-4-oxobut-2-enoic acid","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003232","","","0.71073","MoKα","","0.1126","0.0488","","","0.0932","0.1147","","","","","","0.991","","","","has coordinates","291379","2024-04-27","01:54:49",""
"2023094","9.226","0.0006","12.7703","0.0009","18.6607","0.0013","109.79","0.006","96.72","0.006","90.657","0.006","2051.4","0.3","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-(4-Bromophenyl)-2-cyano-3-[3-(2-methylpropyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-enamide","","- C23 H21 Br N4 O -","- C23 H21 Br N4 O -","- C92 H84 Br4 N16 O4 -","4","2","JP2004","Abu-Zaied, Mamdouh A.; Mohamed-Ezzat, Reham A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of (E)-N-(4-bromophenyl)-2-cyano-3-[3-(2-methylpropyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003086","","x-ray","1.54184","CuKα","","0.0403","0.0395","","","0.1015","0.1022","","","","","","1.05","","","","has coordinates","291380","2024-04-27","01:55:06",""
"2023095","13.3577","0.0005","10.0877","0.0003","13.9182","0.0005","90","","106.29","0.004","90","","1800.16","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Chlorosulfanyl)tris(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C9 H21 Au Cl5 P S -","- C9 H21 Au Cl5 P S -","- C36 H84 Au4 Cl20 P4 S4 -","4","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0512","0.0403","","","0.0963","0.1023","","","","","","1.079","","","","has coordinates","291382","2024-04-27","01:57:00",""
"2023096","7.5619","0.0004","8.7408","0.0004","15.4558","0.0006","84.346","0.004","78.306","0.004","66.915","0.005","920.07","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(<i>tert</i>-Butyl)(chlorosulfanyl)bis(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C10 H23 Au Cl5 P S -","- C10 H23 Au Cl5 P S -","- C20 H46 Au2 Cl10 P2 S2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0212","0.0166","","","0.0342","0.036","","","","","","1.049","","","","has coordinates","291382","2024-04-27","01:57:04",""
"2023097","33.653","0.003","7.7933","0.0003","16.212","0.002","90","","113.861","0.008","90","","3888.5","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(<i>tert</i>-butyl)(chlorosulfanyl)(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C11 H25 Au Cl5 P S -","- C11 H25 Au Cl5 P S -","- C88 H200 Au8 Cl40 P8 S8 -","8","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0523","0.0331","","","0.0582","0.0636","","","","","","1.041","","","","has coordinates","291382","2024-04-27","01:57:05",""
"2023098","9.7661","0.0003","12.5787","0.0003","16.9776","0.0005","90","","103.887","0.003","90","","2024.65","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tris(<i>tert</i>-butyl)(chlorosulfanyl)phosphonium tetrachloridoaurate(III)","","- C12 H27 Au Cl5 P S -","- C12 H27 Au Cl5 P S -","- C48 H108 Au4 Cl20 P4 S4 -","4","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0731","0.0223","","","0.0421","0.0449","","","","","","0.767","","","","has coordinates","291382","2024-04-27","01:57:06",""
"2023099","7.4202","0.0003","8.5966","0.0003","15.398","0.0006","97.497","0.003","100.128","0.004","109.324","0.004","893.42","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Chloroselanyl)tris(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C9 H21 Au Cl5 P Se -","- C9 H21 Au Cl5 P Se -","- C18 H42 Au2 Cl10 P2 Se2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0194","0.0157","","","0.0317","0.0327","","","","","","1.101","","","","has coordinates","291382","2024-04-27","01:57:07",""
"2023100","7.5836","0.0002","8.7603","0.0002","15.4719","0.0006","84.445","0.003","78.641","0.003","67.128","0.003","928.27","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(<i>tert</i>-Butyl)(chloroselanyl)bis(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C10 H23 Au Cl5 P Se -","- C10 H23 Au Cl5 P Se -","- C20 H46 Au2 Cl10 P2 Se2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0252","0.0208","","","0.052","0.0544","","","","","","1.052","","","","has coordinates","291382","2024-04-27","01:57:07",""
"2023101","33.7472","0.0006","7.79306","0.00008","16.2575","0.0003","90","","113.582","0.003","90","","3918.56","0.14","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(<i>tert</i>-butyl)(chloroselanyl)(propan-2-yl)phosphonium tetrachloridoaurate(III)","","- C11 H25 Au Cl5 P Se -","- C11 H25 Au Cl5 P Se -","- C88 H200 Au8 Cl40 P8 Se8 -","8","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0276","0.0209","","","0.0408","0.0428","","","","","","1.107","","","","has coordinates","291382","2024-04-27","01:57:07",""
"2023102","7.8543","0.0004","8.0592","0.0004","15.3505","0.0007","76.717","0.004","83.169","0.004","87.722","0.004","938.89","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bromosulfanyl)tris(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C9 H21 Au Br5 P S -","- C9 H21 Au Br5 P S -","- C18 H42 Au2 Br10 P2 S2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0267","0.0208","","","0.0386","0.04","","","","","","1.081","","","","has coordinates","291382","2024-04-27","01:57:08",""
"2023103","7.8455","0.0006","9.138","0.0006","15.544","0.0009","86.6","0.005","81.097","0.006","64.862","0.006","996.66","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bromosulfanyl)(<i>tert</i>-butyl)bis(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C10 H23 Au Br5 P S -","- C10 H23 Au Br5 P S -","- C20 H46 Au2 Br10 P2 S2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0339","0.0269","","","0.049","0.052","","","","","","1.061","","","","has coordinates","291382","2024-04-27","01:57:08",""
"2023104","12.4712","0.0004","10.3712","0.0003","16.2524","0.0005","90","","92.724","0.003","90","","2099.73","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Bromosulfanyl)bis(<i>tert</i>-butyl)(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C11 H25 Au Br5 P S -","- C11 H25 Au Br5 P S -","- C44 H100 Au4 Br20 P4 S4 -","4","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0498","0.0328","","","0.0568","0.061","","","","","","1.09","","","","has coordinates","291382","2024-04-27","01:57:08",""
"2023105","10.2218","0.0005","10.8085","0.0006","11.1163","0.0005","70.909","0.004","71.516","0.005","75.645","0.004","1086.39","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bromosulfanyl)tris(<i>tert</i>-butyl)phosphonium tetrabromidoaurate(III)","","- C12 H27 Au Br5 P S -","- C12 H27 Au Br5 P S -","- C24 H54 Au2 Br10 P2 S2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0486","0.0316","","","0.0604","0.0659","","","","","","1.054","","","","has coordinates","291382","2024-04-27","01:57:09",""
"2023106","7.9212","0.0004","8.0606","0.0004","15.2911","0.0008","76.817","0.005","82.668","0.005","87.728","0.004","942.77","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bromoselanyl)tris(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C9 H21 Au Br5 P Se -","- C9 H21 Au Br5 P Se -","- C18 H42 Au2 Br10 P2 Se2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0347","0.0244","","","0.0423","0.0447","","","","","","1.057","","","","has coordinates","291382","2024-04-27","01:57:09",""
"2023107","7.8155","0.0003","9.1505","0.0003","15.5221","0.0005","85.965","0.002","80.294","0.003","66.049","0.003","999.97","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Bromoselanyl)(<i>tert</i>-butyl)bis(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C10 H23 Au Br5 P Se -","- C10 H23 Au Br5 P Se -","- C20 H46 Au2 Br10 P2 Se2 -","2","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0312","0.0245","","","0.0593","0.0629","","","","","","1.036","","","","has coordinates","291382","2024-04-27","01:57:09",""
"2023108","12.3529","0.0004","10.4233","0.0004","16.4635","0.0005","90","","93.453","0.003","90","","2115.96","0.12","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Bromoselanyl)bis(<i>tert</i>-butyl)(propan-2-yl)phosphonium tetrabromidoaurate(III)","","- C11 H25 Au Br5 P Se -","- C11 H25 Au Br5 P Se -","- C44 H100 Au4 Br20 P4 Se4 -","4","1","YZ2053","Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza","Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002780","","","0.71073","MoKα","","0.0793","0.0337","","","0.057","0.0613","","","","","","0.812","","","","has coordinates","291382","2024-04-27","01:57:09",""
"2023109","7.0415","0.0003","17.9349","0.0008","9.0148","0.0005","90","","100.812","0.002","90","","1118.26","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-hydroxido-bis[dibromido(dimethylformamide-κ<i>O</i>)ethyltin(IV)]","","- C10 H26 Br4 N2 O4 Sn2 -","- C10 H26 Br4 N2 O4 Sn2 -","- C20 H52 Br8 N4 O8 Sn4 -","2","0.5","YY2010","Klecker, Christopher Jan; Reuter, Hans","Dimeric ethyltin(IV)–dibromide–hydroxide–N,N-dimethylformamide","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003268","","","0.71073","MoKα","","0.022","0.0181","","","0.0448","0.0461","","","","","","1.067","","","","has coordinates","291383","2024-04-27","01:57:51",""
"2023110","17.764","0.003","8.4429","0.0012","11.6601","0.0016","90","","100.948","0.004","90","","1717","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(4-Hydroxyphenyl)amino]-5,5-diphenyl-1<i>H</i>-imidazol-4(5<i>H</i>)-one","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","VM2300","El Moutaouakil Ala Allah, Abderrazzak; Guerrab, Walid; Mague, Joel T.; Alsubari, Abdulsalam; Alzahrani, Abdullah Yahya Abdullah; Ramli, Youssef","Synthesis, crystal structure and Hirshfeld surface analysis of 2-[(4-hydroxyphenyl)amino]-5,5-diphenyl-1H-imidazol-4(5H)-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003499","","","0.71073","MoKα","","0.1042","0.0546","","","0.1125","0.1319","","","","","","1.035","","","","has coordinates","291384","2024-04-27","01:58:04",""
"2023111","8.5194","0.0007","18.1257","0.0013","9.0875","0.0008","90","","105.106","0.003","90","","1354.8","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>,2,4,6-Tetramethylanilinium trifluoromethanesulfonate","","- C11 H16 F3 N O3 S -","- C11 H16 F3 N O3 S -","- C44 H64 F12 N4 O12 S4 -","4","1","EJ2004","Stewart, John W.; Irons, Elena M.; Osorio Abanto, Giovanna; Zeller, Matthias; Zaleski, Curtis M.; Predecki, Daniel P.","Synthesis and crystal structures of N,2,4,6-tetramethylanilinium trifluoromethanesulfonate and N-isopropylidene-N,2,4,6-tetramethylanilinium trifluoromethanesulfonate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003438","","","0.71073","MoKα","","0.0813","0.0473","","","0.1179","0.1326","","","","","","1.033","","","","has coordinates","291385","2024-04-27","01:58:23",""
"2023112","6.858","0.0004","19.4619","0.0012","12.6131","0.0007","90","","102.024","0.002","90","","1646.53","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-Isopropylidene-<i>N</i>,2,4,6-tetramethylanilinium trifluoromethanesulfonate","","- C14 H20 F3 N O3 S -","- C14 H20 F3 N O3 S -","- C56 H80 F12 N4 O12 S4 -","4","1","EJ2004","Stewart, John W.; Irons, Elena M.; Osorio Abanto, Giovanna; Zeller, Matthias; Zaleski, Curtis M.; Predecki, Daniel P.","Synthesis and crystal structures of N,2,4,6-tetramethylanilinium trifluoromethanesulfonate and N-isopropylidene-N,2,4,6-tetramethylanilinium trifluoromethanesulfonate","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024003438","","","0.71073","MoKα","","0.0649","0.0454","","","0.125","0.1356","","","","","","1.044","","","","has coordinates","291385","2024-04-27","01:58:24",""
"2023113","7.9462","0.0005","26.5977","0.0012","5.186","0.0002","90","","100.613","0.005","90","","1077.31","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(η^2^-ethylene)(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)platinum(II)","","- C11 H10 Cl N O Pt -","- C11 H10 Cl N O Pt -","- C44 H40 Cl4 N4 O4 Pt4 -","4","1","OI2006","Chi, Nguyen Thi Thanh; Tuan Cuong, Ngo; Thu Trang, Tran; Van Thong, Pham; Linh, Nguyen Thi Bang; Ly, Nguyen Thi Khanh; Van Meervelt, Luc","Synthesis, crystal structure and anticancer activity of the complex chlorido(η2-ethylene)(quinolin-8-olato-κ2 N,O)platinum(II) by experimental and theoretical methods","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","550","554","10.1107/S2056989024003748","","x-ray","0.71073","MoKα","","0.0433","0.0329","","","0.0695","0.0762","","","","","","1.086","","","","has coordinates","291431","2024-05-01","01:46:59",""
"2023114","10.1542","0.0003","11.9156","0.0003","11.9964","0.0004","75.221","0.001","88.341","0.001","81.751","0.001","1388.9","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","5,17-Dibromo-26,28-dihydroxy-25,27-dipropynyloxycalix[4]arene","","- C34 H26 Br2 O4 -","- C34 H26 Br2 O4 -","- C68 H52 Br4 O8 -","2","1","WM5716","Gorbunov, Alexander; Bezzubov, Stanislav; Malakhova, Maria; Kovalev, Vladimir; Vatsouro, Ivan","Synthesis and crystal structures of 5,17-dibromo-26,28-dihydroxy-25,27-dipropynyloxycalix[4]arene, 5,17-dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene and 25,27-bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003785","","x-ray","0.71073","MoKα","","0.0535","0.0357","","","0.0814","0.0871","","","","","","1.042","","","","has coordinates,has disorder","291490","2024-05-04","01:52:20",""
"2023115","18.1223","0.0007","9.984","0.0004","18.2863","0.0007","90","","90","","90","","3308.6","0.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","5,17-Dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene","","- C40 H38 Br2 O4 -","- C40 H38 Br2 O4 -","- C160 H152 Br8 O16 -","4","0.5","WM5716","Gorbunov, Alexander; Bezzubov, Stanislav; Malakhova, Maria; Kovalev, Vladimir; Vatsouro, Ivan","Synthesis and crystal structures of 5,17-dibromo-26,28-dihydroxy-25,27-dipropynyloxycalix[4]arene, 5,17-dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene and 25,27-bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003785","","x-ray","0.71073","MoKα","","0.0446","0.0298","","","0.0642","0.069","","","","","","1.036","","","","has coordinates","291490","2024-05-04","01:52:21",""
"2023116","36.3261","0.0007","36.3261","0.0007","12.1054","0.0004","90","","90","","120","","13834","0.6","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","25,27-Bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene","","- C32 H28 Br2 N6 O4 -","- C32 H28 Br2 N6 O4 -","- C576 H504 Br36 N108 O72 -","18","1","WM5716","Gorbunov, Alexander; Bezzubov, Stanislav; Malakhova, Maria; Kovalev, Vladimir; Vatsouro, Ivan","Synthesis and crystal structures of 5,17-dibromo-26,28-dihydroxy-25,27-dipropynyloxycalix[4]arene, 5,17-dibromo-26,28-dipropoxy-25,27-dipropynyloxycalix[4]arene and 25,27-bis(2-azidoethoxy)-5,17-dibromo-26,28-dihydroxycalix[4]arene","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003785","","x-ray","0.71073","MoKα","","0.0584","0.0397","","","0.0901","0.0974","","","","","","1.031","","","","has coordinates","291490","2024-05-04","01:52:22",""
"2023117","8.1208","0.0013","8.2262","0.0014","9.5944","0.0015","73.338","0.004","72.167","0.004","62.966","0.004","535.19","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(6-Amino-5-nitronaphthalen-2-yl)ethanone","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C24 H20 N4 O6 -","2","1","ZN2036","Shi, Xin-Wei; Bai, Ming-sheng; Zheng, Shao-Jun; Lu, Qiang-Qiang; Li, Gen; Zhou, Ya-Fu","Crystal structure characterization, Hirshfeld surface analysis, and DFT calculation studies of 1-(6-amino-5-nitronaphthalen-2-yl)ethanone","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003797","","","0.71073","MoKα","","0.0638","0.0505","","","0.1337","0.148","","","","","","1.033","","","","has coordinates","291491","2024-05-04","01:52:39",""
"2023118","8.6173","0.0004","10.6265","0.0006","13.1312","0.0004","93.384","0.004","98.121","0.003","94.09","0.004","1184.45","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis{2-[5-(3,4,5-trimethoxyphenyl)-4<i>H</i>-1,2,4-triazol-3-yl]pyridine}palladium(II) bis(trifluoroacetate) trifluoroacetic acid disolvate","","- C40 H34 F12 N8 O14 Pd -","- C40 H34 F12 N8 O14 Pd -","- C40 H34 F12 N8 O14 Pd -","1","0.5","JW2005","Zakharchenko, Borys V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Bargan, Alexandra; Vassilyeva, Olga Yu.; Lampeka, Rostyslav D.","Crystal structure of bis{2-[5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine}palladium(II) bis(trifluoroacetate) trifluoroacetic acid disolvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S205698902400392X","","","0.71073","MoKα","","0.0466","0.0415","","","0.091","0.0953","","","","","","1.04","","","","has coordinates,has disorder","291492","2024-05-04","01:52:51",""
"2023119","12.7521","0.0006","8.9648","0.0004","16.6801","0.001","90","","111.057","0.001","90","","1779.54","0.16","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-chloro-<i>N</i>,<i>N</i>-dimethylethan-1-aminium) tetrachloridocobaltate(II)","","- C8 H22 Cl6 Co N2 -","- C8 H22 Cl6 Co N2 -","- C32 H88 Cl24 Co4 N8 -","4","0.5","EV2006","McGinness, Katelyn; Minton, Kim; White, Katelyn; Bond, Marcus R.","Bis(2-chloro-N,N-dimethylethan-1-aminium) tetrachloridocobaltate(II) and tetrachloridozincate(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003955","","","0.71073","MoKα","","0.0428","0.0302","","","","0.064","","","","","","1.088","","","","has coordinates,has disorder","291815","2024-05-11","01:50:41",""
"2023120","12.7297","0.0007","8.9784","0.0005","16.6837","0.0011","90","","111.062","0.002","90","","1779.43","0.18","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-chloro-<i>N</i>,<i>N</i>-dimethylethan-1-aminium) tetrachloridozincate(II)","","- C8 H22 Cl6 N2 Zn -","- C8 H22 Cl6 N2 Zn -","- C32 H88 Cl24 N8 Zn4 -","4","0.5","EV2006","McGinness, Katelyn; Minton, Kim; White, Katelyn; Bond, Marcus R.","Bis(2-chloro-N,N-dimethylethan-1-aminium) tetrachloridocobaltate(II) and tetrachloridozincate(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003955","","","0.71073","MoKα","","0.0421","0.0327","","","","0.0701","","","","","","1.116","","","","has coordinates,has disorder","291815","2024-05-11","01:50:42",""
"2023121","9.8042","0.0008","9.4258","0.0008","15.4065","0.0013","90","","108.455","0.003","90","","1350.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-4-Oxo-4-{phenyl[(thiophen-2-yl)methyl]amino}but-2-enoic acid","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","1","JY2046","Podrezova, Alexandra G.; Nikitina, Eugeniya V.; Grigoriev, Mikhail S.; Akkurt, Mehmet; Hasanov, Khudayar I.; Sadikhov, Nurlana D.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (Z)-4-oxo-4-{phenyl[(thiophen-2-yl)methyl]amino}but-2-enoic acid","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024003967","","","0.71073","MoKα","","0.0536","0.0378","","","0.089","0.0974","","","","","","1.026","","","","has coordinates,has disorder","291816","2024-05-11","01:50:57",""
"2023122","11.023","0.0001","11.023","0.0001","34.4826","0.0004","90","","90","","120","","3628.53","0.06","297","2","297","2","","","","","","","","5","R -3 :H","-R 3","148","","Bis[hexakis(nitrato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)] tris[hexaaquanickel(II)] hexahydrate","","- H48 La2 N12 Ni3 O60 -","- H48 La2 N12 Ni3 O60 -","- H144 La6 N36 Ni9 O180 -","3","0.166667","TX2083","Bi, David Wenhua; Liu, Yong; Magrez, Arnaud","High-resolution crystal structure of the double nitrate hydrate [La(NO3)6]2[Ni(H2O)6]3·6H2O","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S205698902400327X","","","0.71073","MoKα","","0.0147","0.0134","","","0.0338","0.0342","","","","","","1.058","","","","has coordinates","291817","2024-05-11","01:51:13",""
"2023123","4.95281","0.00003","14.0515","0.0001","13.5208","0.0001","90","","95.1372","0.0006","90","","937.192","0.011","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(3<i>Z</i>)-4-[(4-Amino-1,2,5-oxadiazol-3-yl)amino]-3-bromo-1,1,1-trifluorobut-3-en-2-one","","- C6 H4 Br F3 N4 O2 -","- C6 H4 Br F3 N4 O2 -","- C24 H16 Br4 F12 N16 O8 -","4","1","TX2085","Guseinov, Firudin I.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Ovsyannikov, Viacheslav O.; Ugrak, Bogdan I.; Lavrova, Oksana M.; Samigullina, Aida I.; Bhattarai, Ajaya","Synthesis, crystal structure and Hirshfeld surface analysis of (3Z)-4-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-3-bromo-1,1,1-trifluorobut-3-en-2-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004080","","x-ray","1.54184","CuKα","","0.0278","0.0275","","","0.0649","0.0651","","","","","","1.093","","","","has coordinates,has disorder","291818","2024-05-11","01:51:27",""
"2023124","9.5331","0.0007","8.9358","0.0003","14.0279","0.0007","90","","107.49","0.007","90","","1139.73","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Hydroxy-<i>N</i>,<i>N</i>-dimethyltryptamine","3-[2-(Dimethylamino)ethyl]-1<i>H</i>-indol-4-ol","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","HB8096","Zeller, Matthias; Parent, Stephan; Schultheiss, Nate","Structural characterization and comparative analysis of polymorphic forms of psilocin (4-hydroxy-N,N-dimethyltryptamine)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004201","","","1.54184","CuKα","","0.0785","0.0645","","","0.2089","0.2207","","","","","","1.132","","","","has coordinates,has disorder","291856","2024-05-15","01:58:40",""
"2023125","10.4041","0.0004","8.5286","0.0003","12.4087","0.0004","90","","92.5663","0.0019","90","","1099.95","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","HB8096","Zeller, Matthias; Parent, Stephan; Schultheiss, Nate","Structural characterization and comparative analysis of polymorphic forms of psilocin (4-hydroxy-N,N-dimethyltryptamine)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004201","","","0.71073","MoKα","","0.0652","0.0458","","","0.1248","0.1381","","","","","","1.054","","","","has coordinates","291856","2024-05-15","01:58:42",""
"2023126","10.6228","0.0005","8.4984","0.0004","12.5073","0.0005","90","","90.807","0.002","90","","1129.01","0.09","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","HB8096","Zeller, Matthias; Parent, Stephan; Schultheiss, Nate","Structural characterization and comparative analysis of polymorphic forms of psilocin (4-hydroxy-N,N-dimethyltryptamine)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004201","","","0.71073","MoKα","","0.0971","0.0523","","","0.1459","0.1715","","","","","","1.033","","","","has coordinates","291856","2024-05-15","01:58:42",""
"2023127","5.7032","0.0001","24.2184","0.0005","11.8683","0.0002","90","","91.312","0.002","90","","1638.85","0.05","160","0.1","160","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(1-Butyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3-(prop-1-en-2-yl)-1<i>H</i>-benzimidazol-2-one","","- C17 H21 N5 O -","- C17 H21 N5 O -","- C68 H84 N20 O4 -","4","1","WM5715","El Atrassi, Zakaria; Zouhair, Mustapha; Blacque, Olivier; Hökelek, Tuncer; Haoudi, Amal; Mazzah, Ahmed; Cherkaoui, Hassan; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, calculations of intermolecular interaction energies and energy frameworks and the DFT-optimized molecular structure of 1-[(1-butyl-1H-1,2,3-triazol-4-yl)methyl]-3-(prop-1-en-2-yl)-1H-benzimidazol-2-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004043","","x-ray","1.54184","CuKα","","0.0409","0.0336","","","0.0803","0.0855","","","","","","1.051","","","","has coordinates","291857","2024-05-15","01:58:59",""
"2023128","12.2214","0.0002","7.023","0.0001","13.0537","0.0003","90","","94.511","0.002","90","","1116.94","0.04","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","pentaaminecopper(II) chloride urea","Pentaaminecopper(II) dichloride–urea (1/1)","","- C H19 Cl2 Cu N7 O -","- C H19 Cl2 Cu N7 O -","- C4 H76 Cl8 Cu4 N28 O4 -","4","1","OO2003","Breen, Olivia D.; Keene, Tony D.","Crystal structure and Hirshfeld surface of a pentaaminecopper(II) complex with urea and chloride","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004298","","x-ray","1.54184","CuKα","","0.035","0.0332","","","0.0903","0.092","","","","","","1.078","","","","has coordinates","291858","2024-05-15","01:59:17",""
"2023129","5.1052","0.0003","5.1052","0.0003","11.08","0.0007","90","","90","","90","","288.78","0.03","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Lithium lutetium bis[orthomolybdate(VI)]","","- Li Lu Mo2 O8 -","- Li Lu Mo2 O8 -","- Li2 Lu2 Mo4 O16 -","2","0.125","WM5719","Hartenbach, Ingo; Hertweck, Robin F.","Mixed occupancy: the crystal structure of scheelite-type LiLu[MoO4]2","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004365","","x-ray","0.56083","AgKα","","0.0579","0.0186","","","0.0425","0.0483","","","","","","0.958","","","","has coordinates","291949","2024-05-18","01:51:20",""
"2023130","9.0384","0.0003","9.4484","0.0004","14.9524","0.0006","77.267","0.001","83.991","0.001","72.708","0.001","1188.16","0.08","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-[3-(2-Oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)propyl]-3-phenyl-1,2-dihydroquinoxalin-2-one","","- C31 H24 N4 O2 -","- C31 H24 N4 O2 -","- C62 H48 N8 O4 -","2","1","VM2302","Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Alzahrani, Abdullah Yahya Abdullah; Ramli, Youssef","Synthesis, crystal structure and Hirshfeld surface analysis of 1-[3-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)propyl]-3-phenyl-1,2-dihydroquinoxalin-2-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004377","","","0.71073","MoKα","","0.0665","0.0461","","","0.1319","0.1397","","","","","","1.081","","","","has coordinates","291950","2024-05-18","01:51:35",""
"2023131","16.9184","0.0013","6.523","0.0005","17.2645","0.0011","90","","111.822","0.004","90","","1768.8","0.2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,3'-[Ethane-1,2-diylbis(oxy)]bis(5,5-dimethylcyclohex-2-en-1-one)","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","0.5","NX2010","Sadikhova, Nurlana D.; Akkurt, Mehmet; Ismayilov, Valeh M.; Yusubov, Niftali N.; Hasanov, Khudayar I.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 3,3′-[ethane-1,2-diylbis(oxy)]bis(5,5-dimethylcyclohex-2-en-1-one) including an unknown solvate","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004286","","","0.71073","MoKα","","0.0672","0.0452","","","0.1066","0.118","","","","","","1.036","","","","has coordinates","291951","2024-05-18","01:51:49",""
"2023132","15.612","0.002","12.7649","0.0017","17.18","0.004","90","","116.243","0.005","90","","3070.8","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4,4-dimethyl-2-phenyl-2-oxazoline-κ<i>N</i>)(hexamethyldisilylamido-κ<i>N</i>)lithium","","- C28 H44 Li N3 O2 Si2 -","- C28 H44 Li N3 O2 Si2 -","- C112 H176 Li4 N12 O8 Si8 -","4","0.5","EJ2003","Carneiro Neto, José Severiano; Iwaya, Eduardo Mariano; Santana, Francielli Sousa; Soares, Jaísa Fernandes","Crystal structure of a three-coordinate lithium complex with monodentate phenyloxazoline and hexamethyldisilylamide ligands","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004237","","","0.71073","MoKα","","0.0492","0.0352","","","0.0865","0.0915","","","","","","1.039","","","","has coordinates","291952","2024-05-18","01:52:11",""
"2023133","12.9631","0.0011","11.3802","0.0005","13.1675","0.0011","90","","117.624","0.006","90","","1721.1","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4,4'-(Disulfanediyl)dipyridinium chloride triiodide","","- C10 H10 Cl I3 N2 S2 -","- C10 H10 Cl I3 N2 S2 -","- C40 H40 Cl4 I12 N8 S8 -","4","1","EE2006","Podda, Enrico; Aragoni, M. Carla; Caltagirone, Claudia; De Filippo, Greta; Garau, Alessandra; Lippolis, Vito; Mancini, Annalisa; Pintus, Anna; Orton, James B.; Coles, Simon J.; Arca, Massimiliano","Crystal structure of 4,4′-(disulfanediyl)dipyridinium chloride triiodide","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004213","","","0.71073","MoKα","","0.0259","0.022","","","0.0451","0.0463","","","","","","1.134","","","","has coordinates","291978","2024-05-22","01:52:43",""
"2023134","13.151","0.0004","8.5584","0.0002","18.2071","0.0006","90","","105.714","0.003","90","","1972.65","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[4-Methoxy-5-(2-methoxy-2-oxoethoxy)-2-(prop-2-en-1-yl)phenyl](quinolin-8-olato)platinum(II)","","- C22 H21 N O5.47 Pt -","- C22 H21 N O5.474 Pt -","- C88 H84 N4 O21.896 Pt4 -","4","1","PK2707","Chi, Nguyen Thi Thanh; Van Thong, Pham; Thang, Nguyen Manh; Thao, Pham Ngoc; Van Meervelt, Luc","Synthesis and crystal structures of three organoplatinum(II) complexes bearing natural arylolefin and quinoline derivatives","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004572","","x-ray","0.71073","MoKα","","0.0256","0.0212","","","0.0511","0.0543","","","","","","1.102","","","","has coordinates","291979","2024-05-22","01:53:47",""
"2023135","8.2857","0.0004","18.5001","0.0009","14.6282","0.0007","90","","102.014","0.005","90","","2193.19","0.19","100.02","0.1","100.02","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[4-Methoxy-5-(2-oxo-2-propoxyethoxy)-2-(prop-2-en-1-yl)phenyl](quinoline-2-carboxylato)platinum(II)","","- C25 H25 N O6 Pt -","- C25 H25 N O6 Pt -","- C100 H100 N4 O24 Pt4 -","4","1","PK2707","Chi, Nguyen Thi Thanh; Van Thong, Pham; Thang, Nguyen Manh; Thao, Pham Ngoc; Van Meervelt, Luc","Synthesis and crystal structures of three organoplatinum(II) complexes bearing natural arylolefin and quinoline derivatives","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004572","","x-ray","0.71073","MoKα","","0.0415","0.0334","","","0.0653","0.0701","","","","","","1.051","","","","has coordinates","291979","2024-05-22","01:53:50",""
"2023136","14.576","0.002","11.0945","0.0009","15.7","0.002","90","","117.197","0.018","90","","2258.2","0.6","114","7","114","7","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido[4-methoxy-5-(2-oxo-2-propoxyethoxy)-2-(prop-2-en-1-yl)phenyl]\ (quinoline)platinum(II)","","- C24 H26 Cl N O4 Pt -","- C24 H26 Cl N O4 Pt -","- C96 H104 Cl4 N4 O16 Pt4 -","4","1","PK2707","Chi, Nguyen Thi Thanh; Van Thong, Pham; Thang, Nguyen Manh; Thao, Pham Ngoc; Van Meervelt, Luc","Synthesis and crystal structures of three organoplatinum(II) complexes bearing natural arylolefin and quinoline derivatives","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004572","","","0.71073","MoKα","","0.0395","0.0296","","","0.0515","0.0556","","","","","","1.039","","","","has coordinates,has disorder","291979","2024-05-22","01:53:50",""
"2023137","8.8641","0.0003","22.0075","0.0006","6.2771","0.0002","90","","90","","90","","1224.52","0.07","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","2,9-Diamino-5,6,11,12-tetrahydrodibenzo[a,e][8]annulene","","- C16 H18 N2 -","- C16 H18 N2 -","- C64 H72 N8 -","4","1","VM2301","Valdez, Nichole; Nagel, Eric; Redline, Erica; Rodriguez, Mark; Staiger, Chad; Dugger, Jason; Foster, Jeffrey","Synthesis and crystal structure of 2,9-diamino-5,6,11,12-tetrahydrodibenzo[a,e]cyclooctene","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004468","","","1.54178","CuKα","","0.0593","0.0459","","","0.0982","0.1063","","","","","","1.081","","","","has coordinates","291980","2024-05-22","01:54:23",""
"2023138","6.8597","0.0002","10.8855","0.0004","12.8106","0.0005","107.566","0.001","100.523","0.001","106.799","0.001","834.02","0.05","296","","296","","","","","","","","","5","P -1","-P 1","2","","Poly[di-μ~3~-chlorido-di-μ~2~-chlorido-[4-methyl-<i>N</i>-(pyridin-2-ylmethylidene)aniline]dicadmium(II)]","","- C13 H12 Cd2 Cl4 N2 -","- C13 H12 Cd2 Cl4 N2 -","- C26 H24 Cd4 Cl8 N4 -","2","1","WM5718","Theppitak, Chatphorn; Laksee, Sakchai; Chainok, Kittipong","Synthesis, crystal structure and properties of poly[di-μ3-chlorido-di-μ2-chlorido-bis[4-methyl-N-(pyridin-2-ylmethylidene)aniline]dicadmium(II)]","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004274","","x-ray","0.71073","MoKα","","0.0546","0.0303","","","0.0588","0.0655","","","","","","1.027","","","","has coordinates","291981","2024-05-22","01:54:41",""
"2023139","10.4506","0.0004","15.6166","0.0006","22.3537","0.0009","90","","90.417","0.002","90","","3648.1","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(5,10,15,20-tetrakis(1-benzylpyridin-1-ium-4-yl)-21<i>H</i>,23<i>H</i>-porphyrin)calcium(II) tetrakis(trifluoromethanesulfonate) tetrahydrate","","- C72 H61.81 Ca0.1 F12 N8 O16 S4 -","- C72 H61.808 Ca0.096 F12 N8 O16 S4 -","- C144 H123.616 Ca0.192 F24 N16 O32 S8 -","2","0.5","NY2004","Salomón-Flores, María K.; Valdes-García, Josue; Martínez-Otero, Diego; Dorazco-González, Alejandro","Trifluoromethanesulfonate salt of 5,10,15,20-tetrakis(1-benzylpyridin-1-ium-4-yl)-21H,23H-porphyrin and its CaII complex","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S205698902400447X","","","1.54178","CuKα","","0.0464","0.0425","","","0.1212","0.1258","","","","","","1.035","","","","has coordinates,has disorder","291982","2024-05-22","01:55:03",""
"2023140","5.526","0.0001","8.5012","0.0001","10.1076","0.0002","110.91","0.002","98.128","0.001","96.006","0.001","432.885","0.014","100","2","100","2","","","","","","","","5","P 1","P 1","1","","Dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thiophen-2-yl)cyclohex-3-ene-1,3-dicarboxylate","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C19 H17 N O5 S -","1","1","OI2007","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Huseynov, Elnur Z.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thiophen-2-yl)cyclohex-3-ene-1,3-dicarboxylate","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004687","","","1.54184","CuKα","","0.0227","0.0226","","","0.0586","0.0586","","","","","","1.063","","","","has coordinates","292030","2024-05-25","01:50:14",""
"2023141","14.1382","0.0005","15.3202","0.0005","18.3835","0.0007","72.09","0.0018","69.6031","0.0019","74.6737","0.0018","3495.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(6,9-Diacetyl-5,10,15,20-tetraphenylsecochlorinato)nickel(II)","","- C46 H32 N4 Ni O2 -","- C46 H32 N4 Ni O2 -","- C184 H128 N16 Ni4 O8 -","4","2","YY2012","Sharma, Meenakshi; Brückner, Christian; Zeller, Matthias","Crystal structure of (6,9-diacetyl-5,10,15,20-tetraphenylsecochlorinato)nickel(II)","Acta Crystallographica Section E Crystallographic Communications","2024","80","6","","","10.1107/S2056989024004717","","","0.71073","MoKα","","0.061","0.038","","","0.0915","0.103","","","","","","1.014","","","","has coordinates","292031","2024-05-25","01:50:52",""