# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-19T16:03:59+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 = 74 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
"2311557","20.0633","0.0004","20.0633","0.0004","16.8156","0.0004","90","","90","","90","","6768.9","0.2","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","(Diphenylamido-κ<i>N</i>){3-methyl-6-[(4-methylphenyl)(phenylazanidyl)methylidene]cyclohexa-2,4-dien-1-yl-κ^2^<i>N</i>,<i>C</i>^1^}(η^5^-pentamethylcyclopentadienyl)titanium(IV)","","- C43 H44 N2 Ti -","- C43 H44 N2 Ti -","- C344 H352 N16 Ti8 -","8","1","WM5424","Fischer, Malte; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structure of the η<sup>4</sup>-ketimine titanium complex (di-phenyl-amido-κ<i>N</i>){3-methyl-6-[(4-methyl-phen-yl)(phenyl-aza-nid-yl)methyl-idene]cyclo-hexa-2,4-dien-1-yl-κ<sup>2</sup><i>N</i>,<i>C</i><sup>1</sup>}(η<sup>5</sup>-penta-methyl-cyclo-penta-dien-yl)titanium(IV).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 1","34","37","10.1107/S2056989017017455","","","0.71073","MoKα","","0.0546","0.0432","","","0.1031","0.1104","","","","","","1.07","","","","has coordinates","245980","2020-10-21","18:00:00",""
"2311558","24.2353","0.0004","5.608","0.0002","24.9702","0.0004","90","","118.027","0.011","90","","2995.7","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis(nicotinamide-κ<i>N</i>)bis(4-sulfamoylbenzoato-κ<i>O</i>^1^)copper(II)","","- C26 H26 Cu N6 O11 S2 -","- C26 H26 Cu N6 O11 S2 -","- C104 H104 Cu4 N24 O44 S8 -","4","0.5","XU5914","Hökelek, Tuncer; Yavuz, Vijdan; Dal, Hakan; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κ<i>N</i>)bis-(4-sulfamoylbenzoato-κ<i>O</i><sup>1</sup>)copper(II).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 1","45","50","10.1107/S2056989017017765","","","0.71073","MoKα","","0.0652","0.0477","","","0.0958","0.1087","","","","","","1.099","","","","has coordinates","301809","2025-08-19","19:04:04",""
"2311559","12.3596","0.0005","8.3442","0.0003","19.5002","0.0007","90","","95.156","0.002","90","","2002.94","0.13","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis{μ-2,2'-[(3,4-dithiahexane-1,6-diyl)bis(nitrilomethanylylidene)]bis(4-bromophenolato)-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}dicopper(II)","","- C36 H32 Br4 Cu2 N4 O4 S4 -","- C36 H32 Br4 Cu2 N4 O4 S4 -","- C72 H64 Br8 Cu4 N8 O8 S8 -","2","0.5","LH5862","Rusanova, Julia A.; Bederak, Dmytro; Kokozay, Vladimir N.","Bis{μ-2,2'-[(3,4-di-thia-hexane-1,6-di-yl)bis-(nitrilo-methanylyl-idene)]bis-(4-bromo-phenolato)-κ<sup>4</sup><i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}dicopper(II).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 1","38","40","10.1107/S2056989017017790","","","0.71073","MoKα","","0.0869","0.0456","","","0.0896","0.0983","","","","","","1.047","","","","has coordinates","245982","2020-10-21","18:00:00",""
"2311560","11.1574","0.0005","14.6104","0.0007","10.8342","0.0005","90","","110.454","0.002","90","","1654.78","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bromido(η^6^-1-isopropyl-4-methylbenzene)(7-oxocyclohepta-1,3,5-trien-\ 1-olato-κ^2^<i>O</i>,<i>O</i>')osmium","","- C17 H19 Br O2 Os -","- C17 H19 Br O2 Os -","- C68 H76 Br4 O8 Os4 -","4","1","HB7721","Clayton, Hadley S.; Tapala, Kgaugelo C.; Lemmerer, Andreas","Crystal structure of bromido(η<sup>6</sup>-1-isopropyl-4-methylbenzene)(7-oxocyclohepta-1,3,5-trien-1-olato-κ<sup>2</sup><i>O</i>,<i>O</i>')osmium.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","275","277","10.1107/S2056989018001391","","","0.71073","MoKα","","0.0581","0.0526","","","0.1152","0.118","","","","","","1.151","","","","has coordinates,has disorder","245983","2020-10-21","18:00:00",""
"2311561","8.78","0.0018","11.443","0.002","16.573","0.003","90","","90","","90","","1665.1","0.5","260","2","260","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Silver [(propane-1,3-diyldinitrilo-κ^2^<i>N</i>,<i>N</i>')tetraacetato-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']chromate(III)","","- C11 H20 Ag Cr N2 O11 -","- C11 H20 Ag Cr N2 O11 -","- C44 H80 Ag4 Cr4 N8 O44 -","4","1","NK2244","Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha","Crystal structure of silver [(propane-1,3-diyl-dinitrilo-κ<sup>2</sup><i>N</i>,<i>N</i>')-tetra-acetato-κ<sup>4</sup><i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']chromate(III) from synchrotron X-ray data.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","278","281","10.1107/S2056989018001743","","","0.61","synchrotron","","0.0246","0.0198","","","0.0505","0.051","","","","","","1.072","","","","has coordinates","245984","2020-10-21","18:00:00",""
"2311562","25.8819","0.0017","7.1272","0.0004","16.4146","0.0011","90","","97.282","0.006","90","","3003.5","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[<i>N</i>,<i>N</i>-bis(2-methoxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']di-<i>n</i>-butyltin(IV)","","- C22 H46 N2 O4 S4 Sn -","- C22 H46 N2 O4 S4 Sn -","- C88 H184 N8 O16 S16 Sn4 -","4","0.5","HB7731","Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structures and Hirshfeld surface analyses of bis-[<i>N</i>,<i>N</i>-bis-(2-meth-oxy-eth-yl)di-thio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>']di-<i>n</i>-butyl-tin(IV) and [<i>N</i>-(2-meth-oxy-eth-yl)-<i>N</i>-methyl-dithio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>']tri-phenyl-tin(IV).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","302","308","10.1107/S2056989018001901","","","0.71073","MoKα","","0.0665","0.0483","","","0.1143","0.1282","","","","","","1.046","","","","has coordinates","245985","2020-10-21","18:00:00",""
"2311563","7.6258","0.0003","10.2178","0.0003","14.8621","0.0006","91.976","0.003","90.655","0.003","107.875","0.003","1101.19","0.07","148","2","148","2","","","","","","","","6","P -1","-P 1","2","","[<i>N</i>-(2-Methoxyethyl)-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']triphenyltin(IV)","","- C23 H25 N O S2 Sn -","- C23 H25 N O S2 Sn -","- C46 H50 N2 O2 S4 Sn2 -","2","1","HB7731","Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structures and Hirshfeld surface analyses of bis-[<i>N</i>,<i>N</i>-bis-(2-meth-oxy-eth-yl)di-thio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>']di-<i>n</i>-butyl-tin(IV) and [<i>N</i>-(2-meth-oxy-eth-yl)-<i>N</i>-methyl-dithio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>']tri-phenyl-tin(IV).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","302","308","10.1107/S2056989018001901","","","0.71073","MoKα","","0.0427","0.0397","","","0.1108","0.1138","","","","","","1.088","","","","has coordinates","245985","2020-10-21","18:00:00",""
"2311564","9.6074","0.0002","25.4943","0.0006","17.4326","0.0003","90","","95.152","0.002","90","","4252.59","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[4-<i>tert</i>-Butyl-2,6-bis(1-pentyl-1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)phenyl-κ<i>C</i>^1^]tellurium(II) (1,4-dioxane)triiodidomercurate(II)","","- C38 H49 Hg I3 N4 O2 Te -","- C38 H49 Hg I3 N4 O2 Te -","- C152 H196 Hg4 I12 N16 O8 Te4 -","4","1","ZS2398","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of an aryl-tellurenium(II) cation; [4-<i>tert</i>-butyl-2,6-bis-(1-pentyl-1<i>H</i>-benz-imidazol-2-yl-κ<i>N</i><sup>3</sup>)phenyl-κ<i>C</i><sup>1</sup>]tellurium(II) (1,4-dioxane)tri-iodido-mercurate(II).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","390","393","10.1107/S2056989018002645","","","0.71073","MoKα","","0.0491","0.0414","","","0.077","0.0795","","","","","","1.137","","","","has coordinates","245986","2020-10-21","18:00:00",""
"2311565","9.217","0.002","9.217","0.002","22.646","0.002","90","","90","","120","","1666.1","0.5","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Sodium chromium/aluminium molybdenum/aluminium dodecaoxide","","- Al1.762 Cr0.476 Mo2.763 Na0.72 O12 -","- Al1.762 Cr0.476 Mo2.763 Na0.724 O12 -","- Al10.572 Cr2.856 Mo16.578 Na4.344 O72 -","6","0.166667","VN2134","Sonni, Manel; Jendoubi, Imen; Zid, Mohamed Faouzi","Elaboration, structural study and validation of a new NASICON-type structure, Na<sub>0.72</sub>(Cr<sub>0.48</sub>,Al<sub>1.52</sub>)(Mo<sub>2.77</sub>,Al<sub>0.23</sub>)O<sub>12</sub>.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","406","409","10.1107/S2056989018003031","","","0.71073","MoKα","","0.0135","0.0127","","","0.0236","0.0239","","","","","","1.254","","","","has coordinates","245987","2020-10-21","18:00:00",""
"2311566","13.75102","0.00008","9.50887","0.00005","9.06168","0.00005","90","","90","","90","","1184.88","0.011","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Calcium perchlorate anhydrate","Calcium bis(perchlorate)","","- Ca Cl2 O8 -","- Ca Cl2 O8 -","- Ca8 Cl16 O64 -","8","1","WM5437","Lee, Dongmin; Bu, Hyeri; Kim, Dohwan; Hyoung, Jooeun; Hong, Seung-Tae","Crystal structure of calcium perchlorate anhydrate, Ca(ClO<sub>4</sub>)<sub>2</sub>, from laboratory powder X-ray diffraction data.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 4","514","517","10.1107/S2056989018003936","powder diffraction","","1.5405","Cukα~1~","","","","","","","","","","1.9","","","","","","","has coordinates","245988","2020-10-21","18:00:00",""
"2311567","35.297","0.003","9.3902","0.0006","8.3603","0.0005","90","","90","","90","","2771","0.3","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","","2,2'-{(1<i>E</i>,1'<i>E</i>)-[1,2-Phenylenebis(azanylylidene)]bis(methanylylidene)}bis(5-benzyloxy)phenol","","- C34 H28 N2 O4 -","- C34 H28 N2 O4 -","- C136 H112 N8 O16 -","4","0.5","","Ghichi, Nadir; Benboudiaf, Ali; DJebli, Yacine; Bensouici, Chawki; Merazig, Hocine","Crystal structure, Hirshfeld surface analysis and anti-oxidant capacity of 2,2'-{(1<i>E</i>,1'<i>E</i>)-[1,2-phenyl-enebis(aza-nylyl-idene)]bis-(methanylyl-idene)}bis-(5-benz-yloxy)phenol.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 5","682","686","10.1107/S2056989018005832","","","0.71073","MoKα","","0.0857","0.0527","","","0.1367","0.1582","","","","","","1.015","","","","has coordinates","301809","2025-08-19","19:04:04",""
"2311568","7.4028","0.0005","7.4432","0.0005","22.4616","0.0015","97.255","0.005","90.274","0.005","114.784","0.005","1112.36","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Bis[(5-chloro-2-oxo-2,3-dihydrobenzo[<i>d</i>]oxazol-3-yl)methyl]-2-phenylethanamine","","- C24 H19 Cl2 N3 O4 -","- C24 H19 Cl2 N3 O4 -","- C48 H38 Cl4 N6 O8 -","2","1","WM5440","Aydın, Abdullah; Soyer, Zeynep; Akkurt, Mehmet; Büyükgüngör, Orhan","Crystal structure and theoretical study of <i>N</i>,<i>N</i>-bis-[(5-chloro-2-oxo-2,3-di-hydro-benzo[<i>d</i>]oxazol-3-yl)meth-yl]-2-phenyl-ethanamine.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 5","757","760","10.1107/S2056989018005984","","","0.71073","MoKα","","0.1163","0.0433","","","0.0724","0.089","","","","","","0.87","","","","has coordinates","301809","2025-08-19","19:04:04",""
"2311569","15.3991","0.001","7.9078","0.0005","15.7645","0.001","90","","113.037","0.001","90","","1766.6","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl]-3-methyl-1,4-dihydropyridin-4-iminium bromide","","- C20 H19 Br N2 O -","- C20 H19 Br N2 O -","- C80 H76 Br4 N8 O4 -","4","1","XU5923","Sheshadri, S. N.; Kwong, Huey Chong; Chidan Kumar, C. S.; Quah, Ching Kheng; Siddaraju, B. P.; Veeraiah, M. K.; Hamid, Muhammad Aiman Bin Abd; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1'-biphen-yl]-4-yl)-2-oxoeth-yl]-3-methyl-1,4-di-hydro-pyridin-4-iminium bromide.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 5","752","756","10.1107/S2056989018006217","","","0.71073","MoKα","","0.0407","0.0295","","","0.0696","0.075","","","","","","1.031","","","","has coordinates","301809","2025-08-19","19:04:04",""
"2311570","8.2706","0.0004","8.7726","0.0004","13.6433","0.0007","76.091","0.002","74.61","0.002","87.97","0.002","925.98","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1-(2,4-Dichlorobenzyl)-5-methyl-<i>N</i>-(thiophene-2-sulfonyl)-1<i>H</i>-pyrazole-3-carboxamide","","- C16 H13 Cl2 N3 O3 S2 -","- C16 H13 Cl2 N3 O3 S2 -","- C32 H26 Cl4 N6 O6 S4 -","2","1","RZ5232","Aydin, Abdullah; Akkurt, Mehmet; Gur, Zehra Tugce; Banoğlu, Erden","Crystal structure and Hirshfeld surface analysis of 1-(2,4-di-chloro-benz-yl)-5-methyl-<i>N</i>-(thio-phene-2-sulfon-yl)-1<i>H</i>-pyrazole-3-carboxamide.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 5","747","751","10.1107/S2056989018006242","","","0.71073","MoKα","","0.061","0.0561","","","0.15","0.1554","","","","","","1.03","","","","has coordinates,has disorder","245992","2020-10-21","18:00:00",""
"2311571","6.0569","0.0005","9.5801","0.0005","11.9941","0.0008","72.867","0.002","84.649","0.002","86.71","0.002","661.86","0.08","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenylene)bis[1-(4-hydroxyphenyl)prop-2-en-1-one] <i>N</i>,<i>N</i>-dimethylformamide disolvate","","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","1","0.5","XU5924","Kwong, Huey Chong; Sim, Ai Jia; Chidan Kumar, C. S.; Quah, Ching Kheng; Chantrapromma, Suchada; Naveen, S.; Warad, Ismail","Synthesis, spectroscopic and Hirshfeld surface analysis and fluorescence studies of (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenyl-ene)bis-[1-(4-hy-droxy-phen-yl)prop-2-en-1-one] <i>N</i>,<i>N</i>-di-methyl-formamide disolvate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 6","835","839","10.1107/S2056989018007429","","","0.71073","MoKα","","0.0927","0.0573","","","0.156","0.1771","","","","","","1.072","","","","has coordinates","301809","2025-08-19","19:04:04",""
"2311572","14.156","0.005","5.0111","0.0016","15.535","0.005","90","","104.316","0.005","90","","1067.8","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TrifluoroBromoacetophenone","1-[3,5-Bis(trifluoromethyl)phenyl]-2-bromoethan-1-one","","- C10 H5 Br F6 O -","- C10 H5 Br F6 O -","- C40 H20 Br4 F24 O4 -","4","1","DS2250","Chandrashekharappa, Sandeep; Bairagi, Keshab M.; Mohan, Mahendra K.; Mohanlall, Viresh; Kasumbwe, Kabange; Venugopala, Katharigatta N.; Nayak, Susanta K.","Crystal structure of 1-[3,5-bis-(tri-fluoro-meth-yl)phen-yl]-2-bromo-ethan-1-one.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 6","868","870","10.1107/S2056989018007478","","","0.71073","MoKα","","0.0719","0.0413","","","0.0916","0.1033","","","","","","1.031","","","","has coordinates","301809","2025-08-19","19:04:04",""
"2311573","11.3566","0.0004","12.3251","0.0002","23.7557","0.0008","90","","93.273","0.003","90","","3319.69","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetonitrile-κ<i>N</i>)tris(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) acetonitrile disolvate","","- C26 H27 Co N11 S5 -","- C26 H27 Co N11 S5 -","- C104 H108 Co4 N44 S20 -","4","1","WM5443","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of (aceto-nitrile-κ<i>N</i>)tris-(pyridine-4-thio-amide-κ<i>N</i>)bis-(thio-cyanate-κ<i>N</i>)cobalt(II) aceto-nitrile disolvate and tetra-kis-(pyridine-4-thio-amide-κ<i>N</i>)bis-(thio-cyanate-κ<i>N</i>)nickel(II) methanol penta-solvate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","964","969","10.1107/S2056989018007612","","","0.71073","MoKα","","0.0433","0.0321","","","0.0757","0.0795","","","","","","1.037","","","","has coordinates,has disorder","245995","2020-10-21","18:00:00",""
"2311574","10.452","0.0003","14.5934","0.0004","15.058","0.0005","101.553","0.002","97.105","0.002","106.417","0.002","2118.43","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)nickel(II) methanol pentasolvate","","- C31 H44 N10 Ni O5 S6 -","- C31 H44 N10 Ni O5 S6 -","- C62 H88 N20 Ni2 O10 S12 -","2","1","","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of (aceto-nitrile-κ<i>N</i>)tris-(pyridine-4-thio-amide-κ<i>N</i>)bis-(thio-cyanate-κ<i>N</i>)cobalt(II) aceto-nitrile disolvate and tetra-kis-(pyridine-4-thio-amide-κ<i>N</i>)bis-(thio-cyanate-κ<i>N</i>)nickel(II) methanol penta-solvate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","964","969","10.1107/S2056989018007612","","","0.71073","MoKα","","0.0469","0.0393","","","0.1058","0.1094","","","","","","1.064","","","","has coordinates","301809","2025-08-19","19:04:04",""
"2311575","9.0491","0.0004","8.3257","0.0004","20.2857","0.0009","90","","99.484","0.001","90","","1507.44","0.12","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-3-(3-Chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C68 H60 Cl4 O12 -","4","1","XU5927","Sheshadri, S. N.; Atioğlu, Zeliha; Akkurt, Mehmet; Chidan Kumar, C. S.; Quah, Ching Kheng; Siddaraju, B. P.; Veeraiah, M. K.","Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-3-(3-chloro-phen-yl)-1-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","935","938","10.1107/S205698901800837X","","","0.71073","MoKα","","0.074","0.0485","","","0.1352","0.1579","","","","","","1.006","","","","has coordinates","301809","2025-08-19","19:04:04",""
"2311576","9.4939","0.0005","18.5548","0.001","9.5068","0.0005","90","","96.788","0.003","90","","1662.95","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-1-[4-Hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-(thiophen-2-yl)prop-2-en-1-one","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","RZ5238","Yesilyurt, Fatma; Aydin, Abdullah; Gul, Halise Inci; Akkurt, Mehmet; Ozcelik, Nefise Dilek","Crystal structure and theoretical study of (2<i>E</i>)-1-[4-hy-droxy-3-(morpholin-4-ylmeth-yl)phen-yl]-3-(thio-phen-2-yl)prop-2-en-1-one.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","960","963","10.1107/S2056989018008459","","","0.71073","MoKα","","0.0609","0.0495","","","0.1274","0.1379","","","","","","1.031","","","","has coordinates","301809","2025-08-19","19:04:04",""
"2311577","6.047","0.003","6.047","0.003","16.479","0.009","90","","90","","120","","521.8","0.5","298","2","298","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Dibarium dipotassium nonaoxidoditellurate","","- Ba2 K2 O9 Te2 -","- Ba2 K2 O9 Te2 -","- Ba4 K4 O18 Te4 -","2","0.0833333","PJ2054","Weil, Matthias","Crystal structures of the triple perovskites Ba<sub>2</sub>K<sub>2</sub>Te<sub>2</sub>O<sub>9</sub> and Ba<sub>2</sub>KNaTe<sub>2</sub>O<sub>9</sub>, and redetermination of the double perovskite Ba<sub>2</sub>CaTeO<sub>6</sub>.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","1006","1009","10.1107/S2056989018009064","","","0.71073","MoKα","","0.0186","0.0153","","","0.0348","0.0359","","","","","","1.15","","","","has coordinates","245998","2020-10-21","18:00:00",""
"2311578","5.9625","0.0003","5.9625","0.0003","14.9396","0.0008","90","","90","","120","","459.97","0.04","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Dibarium potassium sodium nonaoxidoditellurate","","- Ba2 K Na O9 Te2 -","- Ba2 K Na O9 Te2 -","- Ba4 K2 Na2 O18 Te4 -","2","0.0833333","PJ2054","Weil, Matthias","Crystal structures of the triple perovskites Ba<sub>2</sub>K<sub>2</sub>Te<sub>2</sub>O<sub>9</sub> and Ba<sub>2</sub>KNaTe<sub>2</sub>O<sub>9</sub>, and redetermination of the double perovskite Ba<sub>2</sub>CaTeO<sub>6</sub>.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","1006","1009","10.1107/S2056989018009064","","","0.71073","MoKα","","0.0192","0.0177","","","0.0335","0.0339","","","","","","1.491","","","","has coordinates","245998","2020-10-21","18:00:00",""
"2311579","8.3536","0.0014","8.3536","0.0014","8.3536","0.0014","90","","90","","90","","582.94","0.17","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dibarium calcium hexaoxidotellurate","","- Ba2 Ca O6 Te -","- Ba2 Ca O6 Te -","- Ba8 Ca4 O24 Te4 -","4","0.0208333","PJ2054","Weil, Matthias","Crystal structures of the triple perovskites Ba<sub>2</sub>K<sub>2</sub>Te<sub>2</sub>O<sub>9</sub> and Ba<sub>2</sub>KNaTe<sub>2</sub>O<sub>9</sub>, and redetermination of the double perovskite Ba<sub>2</sub>CaTeO<sub>6</sub>.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","1006","1009","10.1107/S2056989018009064","","","0.71073","MoKα","","0.0194","0.0194","","","0.0486","0.0486","","","","","","1.325","","","","has coordinates","245998","2020-10-21","18:00:00",""
"2311580","3.9564","0.0008","13.367","0.002","25.173","0.005","90","","93.363","0.004","90","","1329","0.4","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(2-Chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","","- C13 H6 Cl3 F O S -","- C13 H6 Cl3 F O S -","- C52 H24 Cl12 F4 O4 S4 -","4","1","XU5930","Sanjeeva Murthy, T. N.; Naveen, S.; Chidan Kumar, C. S.; Veeraiah, M. K.; Quah, Ching Kheng; Siddaraju, B. P.; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-(2-chloro-4-fluoro-phen-yl)-1-(2,5-di-chloro-thio-phen-3-yl)prop-2-en-1-one.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 8","1134","1137","10.1107/S2056989018010216","","","0.71073","MoKα","","0.1109","0.0756","","","0.1984","0.2176","","","","","","1.036","","","","has coordinates","301809","2025-08-19","19:04:04",""
"2311581","11.006","0.0006","20.7269","0.0011","7.6213","0.0004","90","","97.468","0.002","90","","1723.83","0.16","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Diamino-6-phenyl-1,3,5-triazin-1-ium 4-methylbenzenesulfonate","","- C16 H17 N5 O3 S -","- C16 H17 N5 O3 S -","- C64 H68 N20 O12 S4 -","4","1","JJ2200","Sangeetha, Ramalingam; Balasubramani, Kasthuri; Thanigaimani, Kaliyaperumal; Jose Kavitha, Savaridasson","Crystal structure and Hirshfeld surface analysis of 2,4-di-amino-6-phenyl-1,3,5-triazin-1-ium 4-methyl-benzene-sulfonate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 8","1159","1162","10.1107/S2056989018010368","","","0.71073","MoKα","","0.0661","0.0487","","","0.136","0.151","","","","","","1.014","","","","has coordinates","301809","2025-08-19","19:04:04",""
"2311582","8.0279","0.0005","10.8496","0.0005","15.1239","0.0008","102.228","0.002","96.148","0.002","102.764","0.002","1239.11","0.12","293","","293","","","","","","","","","5","P -1","-P 1","2","","Tetraaquatrinitratoneodymium(III)–3-amino-1,2,4-triazine (1:3)","","- C9 H20 N15 Nd O13 -","- C9 H20 N15 Nd O13 -","- C18 H40 N30 Nd2 O26 -","2","1","CQ2026","Sangeetha, Ramalingam; Balasubramani, Kasthuri; Jose Kavitha, Savaridasson; Hemamalini, Madhukumar","Crystal structure and Hirshfeld surface analysis of the 1:3 adduct of tetra-aqua-trinitrato-neodymium(III) with 3-amino-1,2,4-triazine.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 9","1309","1313","10.1107/S2056989018011714","","","0.71073","MoKα","","0.0213","0.019","","","0.0461","0.047","","","","","","1.051","","","","has coordinates","301809","2025-08-19","19:04:04",""
"2311583","6.7083","0.0004","7.2414","0.0005","17.2768","0.0013","90","","92.153","0.006","90","","838.67","0.1","298","1","298","1","","","","","","","","6","P 1 21 1","P 2yb","4","<i>trans</i>-Aqua[<i>N</i>,<i>N</i>'-bis(salicylidene)ethane-1,2-diamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']chloridomanganese(III) monohydrate","<i>trans</i>-Aquachlorido{2,2'[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate","","- C16 H18 Cl Mn N2 O4 -","- C16 H18 Cl Mn N2 O4 -","- C32 H36 Cl2 Mn2 N4 O8 -","2","1","VN2136","Reyes Perea, Juan Alberto; Bernès, Sylvain; Quintero Téllez, Ma Guadalupe","Packing polymorphism in the structure of <i>trans</i>-aqua-[<i>N</i>,<i>N</i>'-bis-(salicyl-idene)ethane-1,2-di-amine-κ<sup>4</sup><i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']chlorido-manganese(III) monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 12","1778","1782","10.1107/S2056989018015694","","x-ray","0.71073","MoKα","","0.0447","0.0368","","","0.0672","0.0721","","","","","","1.063","","","","has coordinates","246002","2020-10-21","18:00:00",""
"2312024","13.8058","0.0004","13.8058","0.0004","13.8058","0.0004","90","","90","","90","","2631.39","0.13","297","2","297","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","Sodium pentarubidium bis[tris(oxalato)ferrate(III)]","","- C12 Fe2 Na O24 Rb5 -","- C12 Fe2 Na O24 Rb5 -","- C48 Fe8 Na4 O96 Rb20 -","4","0.166667","HB7735","Piro, O. E.; Echeverría, G A; Baran, E. J.","Spontaneous enanti-omorphism in poly-phased alkaline salts of tris-(oxalato)ferrate(III): crystal structure of cubic NaRb<sub>5</sub>[Fe(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]<sub>2</sub>.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","905","909","10.1107/S2056989018008022","","","0.71073","MoKα","","0.0536","0.0345","","","0.0582","0.0641","","","","","","1.003","","","","has coordinates,has Fobs","246253","2020-10-21","18:00:00",""
"2312025","13.7995","0.0003","13.7995","0.0003","13.7995","0.0003","90","","90","","90","","2627.79","0.1","293","2","293","2","","","","","","","","5","P 41 3 2","P 4bd 2ab 3","213","","sodium and rubidium tris(oxalate)ferrate(III)","","- C12 Fe2 Na O24 Rb5 -","- C12 Fe2 Na O24 Rb5 -","- C48 Fe8 Na4 O96 Rb20 -","4","0.166667","HB7735","Piro, O. E.; Echeverría, G A; Baran, E. J.","Spontaneous enanti-omorphism in poly-phased alkaline salts of tris-(oxalato)ferrate(III): crystal structure of cubic NaRb<sub>5</sub>[Fe(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]<sub>2</sub>.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","905","909","10.1107/S2056989018008022","","","0.71073","MoKα","","0.0478","0.0316","","","0.0612","0.0681","","","","","","1.023","","","","has coordinates,has Fobs","246253","2020-10-21","18:00:00",""
"2312026","13.104","0.0004","10.8828","0.0003","15.7167","0.0004","90","","111.57","0.002","90","","2084.37","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(2,4,6-trimethylbenzoato-κ<i>O</i>)manganese(II)","","- C40 H54 Mn N4 O8 -","- C40 H54 Mn N4 O8 -","- C80 H108 Mn2 N8 O16 -","2","0.5","XU5920","Hökelek, Tuncer; Özkaya, Safiye; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of di-aqua-bis-(<i>N</i>,<i>N</i>-di-ethyl-nicotinamide-κ<i>N</i><sup>1</sup>)bis-(2,4,6-tri-methyl-benzoato-κ<i>O</i>)manganese(II).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 4","422","427","10.1107/S2056989018003377","","","0.71073","MoKα","","0.0634","0.0477","","","0.1254","0.144","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","301809","2025-08-19","19:04:06",""
"2312113","9.6757","0.0008","10.0381","0.0008","11.4947","0.001","90","","112.489","0.006","90","","1031.53","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetraaquabis(isonicotinamide-κ<i>N</i>^1^)cobalt(II) succinate","Tetraaquabis(isonicotinamide-κ<i>N</i>^1^)cobalt(II) butanedioate","","- C16 H24 Co N4 O10 -","- C16 H24 Co N4 O10 -","- C32 H48 Co2 N8 O20 -","2","0.5","SU5446","Kansiz, Sevgi; Malinkin, Sergey; Dege, Necmi","Synthesis, crystal structure and Hirshfeld surface analysis of tetra-aqua-bis-(isonicotinamide-κ<i>N</i><sup>1</sup>)cobalt(II) succinate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","1026","1029","10.1107/S2056989018008861","","","0.71073","MoKα","","0.0466","0.0337","","","0.0822","0.0868","","","","","","1.017","","","","has coordinates,has Fobs","283998","2023-05-25","02:03:28",""
"2312114","8.4027","0.0008","12.8657","0.0013","14.4266","0.0014","113.144","0.002","91.133","0.002","105.501","0.002","1368.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Bis(tert-butyldimethylsilyloxy)dioxomolybdenum(2,2'-bipyridyl)","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')-<i>trans</i>-bis(<i>tert</i>-\ butyldimethylsilyloxy)-<i>cis</i>-dioxiomolybdenum(VI)","","- C22 H38 Mo N2 O4 Si2 -","- C22 H38 Mo N2 O4 Si2 -","- C44 H76 Mo2 N4 O8 Si4 -","2","1","","Minyaev, Mikhail E.; Vinogradov, Alexander A.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Crystal structure of (2,2'-bi-pyridine-κ<sup>2</sup><i>N</i>,<i>N</i>')-<i>trans</i>-bis-(<i>tert</i>-butyl-dimethyl-sil-yloxy)-<i>cis</i>-dioxidomolybdenum(VI).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","970","972","10.1107/S2056989018008472","","","0.71073","MoKα","","0.0543","0.0343","","","0.0686","0.0747","","","","","","1.007","","","","has coordinates,has Fobs","283999","2023-05-25","02:03:53",""
"2312115","25.7341","0.0003","25.7341","0.0003","124.079","0.004","90","","90","","120","","71162","3","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Triacontakis[(4-carboxylatophenyl)sulfanido]dodecagolddotriacontasilver","","- C210 H150 Ag32 Au12 O60 S30 -","- C210 H150 Ag32 Au12 O60 S30 -","- C1260 H900 Ag192 Au72 O360 S180 -","6","0.166667","WM5444","Conn, Brian E.; Bhattarai, Badri; Atnagulov, Aydar; Yoon, Bokwon; Landman, Uzi; Bigioni, Terry P.","<i>M</i><sub>4</sub>Au<sub>12</sub>Ag<sub>32</sub>(<i>p</i>-MBA)<sub>30</sub> (<i>M</i> = Na, Cs) bimetallic monolayer-protected clusters: synthesis and structure.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","987","993","10.1107/S2056989018008393","","","1.54178","CuKα","","0.0464","0.0398","","","0.1326","0.1393","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","284000","2023-05-25","02:05:48",""
"2312116","13.0162","0.0005","13.6078","0.0005","18.3382","0.0007","90","","99.937","0.002","90","","3199.4","0.2","150","","150.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>mer</i>-Tris[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)pyrimidine-κ^2^<i>N</i>^1^]ruthenium(II) bis(hexafluoridophosphate) trihydrate","","- C21 H18 F12 N12 O3 P2 Ru -","- C21 H18 F12 N12 O3 P2 Ru -","- C84 H72 F48 N48 O12 P8 Ru4 -","4","1","WM5447","Bibi, Naheed; Guerra, Renan Barrach; Huamaní, Luis Enrique Santa Cruz; Formiga, André Luiz Barboza","Crystal structure, electrochemical and spectroscopic investigation of <i>mer</i>-tris-[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i><sup>3</sup>)pyrimidine-κ<i>N</i><sup>1</sup>]ruthenium(II) bis-(hexa-fluorido-phosphate) trihydrate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","874","877","10.1107/S2056989018007995","","","1.54178","CuKα","","0.0866","0.0788","","","0.2174","0.2293","","","","","","1.076","","","","has coordinates,has Fobs","284001","2023-05-25","02:06:29",""
"2312117","11.1441","0.001","18.087","0.0017","16.9621","0.0016","90","","106.246","0.001","90","","3282.4","0.5","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-[1,2-Bis(diphenylphosphanyl)ethene-κ^2^<i>P</i>,<i>P</i>']dichloridoplatinum(II) chloroform disolvate","","- C28 H24 Cl8 P2 Pt -","- C28 H24 Cl8 P2 Pt -","- C112 H96 Cl32 P8 Pt4 -","4","1","","Mugemana, Jimmy; Bender, John; Staples, Richard J.; Biros, Shannon M.","Crystal structure of <i>cis</i>-[1,2-bis-(di-phenyl-phosphan-yl)ethene-κ<sup>2</sup><i>P</i>,<i>P</i>']di-chlorido-platinum(II) chloro-form disolvate: a new polymorph.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","998","1001","10.1107/S2056989018008836","","","0.71073","MoKα","","0.0789","0.0419","","","0.0996","0.1221","","","","","","1.03","","","","has coordinates,has Fobs","284002","2023-05-25","02:07:04",""