# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2025-01-02T16:04:22+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 "2023324","20.128","0.004","19.816","0.004","13.429","0.003","90","","90","","90","","5356.2","1.9","243.15","","243.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","p-Xylene@silicalite-1","p-Xylene@silicalite-1","","- C16 H20 O48 Si24 -","- C16 H20 O48 Si24 -","- C64 H80 O192 Si96 -","4","1","TX2091","Hwang, In-Chul","Crystal structure of p-xylene@silicalite-1","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011642","","","0.7","synchrotron","","0.0305","0.0277","","","0.0775","0.0789","","","","","","1.041","","","","has coordinates","296212","2024-12-04","02:49:49","" "2023325","9.0322","0.0002","13.974","0.0003","16.0004","0.0004","90","","90","","90","","2019.51","0.08","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Bis(acetylacetonato-κ^2^O,O')(2-amino-1-methyl-1H-\ benzimidazole-κN^3^)copper(II)","","- C18 H23 Cu N3 O4 -","- C18 H23 Cu N3 O4 -","- C72 H92 Cu4 N12 O16 -","4","0.5","TX2089","Siddikova, Kyzlarkhan; Ziyatov, Daminbek; Tojiboev, Akmaljon; Ashurov, Jamshid; Kadirova, Zukhra; Daminova, Shahlo","Synthesis, crystal structure and Hirshfeld surface analysis of bis(acetylacetonato-κ2 O,O′)(2-amino-1-methyl-1H-benzimidazole-κN 3)copper(II)","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011538","","","1.54184","CuKα","","0.044","0.0362","","","0.1029","0.1093","","","","","","1.0436","","","","has coordinates","296213","2024-12-04","02:50:07","" "2023326","9.6337","0.0001","9.8825","0.0002","12.8446","0.0003","87.546","0.002","86.605","0.001","70.914","0.003","1153.26","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(2E)-3-[4-(Diphenylamino)phenyl]-1-[4-(prop-1-yn-2-yloxy)phenyl]prop-2-en-1-one","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C60 H46 N2 O4 -","2","1","WM5735","Madhan, Sundarasamy; Nizam Mohideen, Mohamed Hanifa; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structure and Hirshfeld surface analysis of the chalcone derivative (2E)-3-[4-(diphenylamino)phenyl]-1-[4-(prop-1-yn-2-yloxy)phenyl]prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011721","","","0.71073","MoKα","","0.0573","0.0416","","","0.1079","0.1202","","","","","","1.033","","","","has coordinates,has disorder","296251","2024-12-06","02:47:40","" "2023327","7.0271","0.0001","19.2243","0.0001","17.7558","0.0001","90","","97.332","0.001","90","","2379.04","0.04","100","0.4","100","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,3,4,4,5,5-Heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene","","- C20 H9 F21 O3 -","- C20 H9 F21 O3 -","- C80 H36 F84 O12 -","4","1","HB8112","Peloquin, Andrew J.; Balaich, Gary J.; Jennings, Abby R.","Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011484","","x-ray","1.54184","CuKα","","0.0402","0.0373","","","0.0868","0.0879","","","","","","1.0712","","","","has coordinates","296252","2024-12-06","02:48:00","" "2023330","8.4947","0.0004","8.3064","0.0005","21.6425","0.0014","90","","96.15","0.005","90","","1518.31","0.15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[bis(N,O-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]]","","- C4 H16 Br4 N2 O2 Sn -","- C4 H16 Br4 N2 O2 Sn -","- C16 H64 Br16 N8 O8 Sn4 -","4","0.5","WM5741","Sirenko, Valerii Y.; Apostu, Mircea-Odin; Golenya, Irina A.; Naumova, Dina D.; Partsevska, Sofiia V.","Crystal structure of catena-poly[bis(N,O-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]]","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024012027","","x-ray","0.71073","MoKα","","0.0745","0.0457","","","0.0788","0.0905","","","","","","1.058","","","","has coordinates","296869","2024-12-14","02:52:55","" "2023331","9.1493","0.0002","12.3058","0.0003","20.1432","0.0005","76.076","0.002","84.791","0.002","71.829","0.002","2091.19","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","4-{[(4-{[1-({[(3,4-Dimethoxyphenyl)methyl](3-acetamidophenyl)carbamoyl}methyl)-1H-1,2,3-triazol-4-yl]methoxy}-3-methoxyphenyl)methyl]amino}benzoic acid–acetonitrile–water (1/2/2)","","- C41 H48 N8 O10 -","- C41 H48 N8 O10 -","- C82 H96 N16 O20 -","2","1","EV2012","Filley, Jonathan","Binary solvent participation in crystals of a multi-aromatic 1,2,3-triazole","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011915","","","1.54184","CuKα","","0.0521","0.0452","","","0.1217","0.1301","","","","","","1.038","","","","has coordinates","296870","2024-12-14","02:53:37","" "2023332","7.9334","0.0002","15.4735","0.0006","15.4898","0.0006","90","","90","","90","","1901.49","0.11","170.15","","170.15","","","","","","","","","5","C m c e","-C 2ac 2","64","","Poly[di-μ-bromido-(μ-2,5-dimethylpyrazine)cadmium(II)]","","- C6 H8 Br2 Cd N2 -","- C6 H8 Br2 Cd N2 -","- C48 H64 Br16 Cd8 N16 -","8","0.5","HB8115","Näther, Christian","Synthesis, crystal structure and thermal properties of poly[di-μ-bromido-(μ-2,5-dimethylpyrazine)cadmium(II)]","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011824","","","0.71073","MoKα","","0.0394","0.0326","","","0.0835","0.0875","","","","","","1.132","","","","has coordinates","296871","2024-12-14","02:54:24","" "2023333","9.3994","0.0002","10.8016","0.0003","15.2355","0.0004","104.272","0.002","99.186","0.002","101.529","0.002","1432.86","0.07","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido{1,1'-[(3-fluorophenyl)methylene]bis[3-(3-fluorophenyl)imidazo[1,5-a]pyridine]-κ^2^N,N'}copper(II)","","- C33 H21 Cl2 Cu F3 N4 -","- C33 H21 Cl2 Cu F3 N4 -","- C66 H42 Cl4 Cu2 F6 N8 -","2","1","WM5742","Le Thi Hong, Hai; Nguyen Van, Hau; Hoang Tuan, Duong; Tran Quang, Hung; Dang Thanh, Tuan; Van Meervelt, Luc","Syntheses, structures and anticancer activities of CuII and ZnII complexes containing 1,1′-[(3-fluorophenyl)methylene]bis[3-(3-fluorophenyl)imidazo[1,5-a]pyridine]","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011617","","x-ray","0.71073","MoKα","","0.0451","0.0352","","","0.0827","0.0889","","","","","","1.07","","","","has coordinates","296872","2024-12-14","02:55:39","" "2023334","8.1431","0.0002","8.8362","0.0002","25.1787","0.0007","90","","97.264","0.002","90","","1797.17","0.08","100.02","0.1","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(2-iodoethylammonium) [di-μ-iodido-diiodidogermanate(II)]]","","- C4 H14 Ge I6 N2 -","- C4 H14 Ge I6 N2 -","- C16 H56 Ge4 I24 N8 -","4","1","OO2009","Kucheriv, Olesia I.; Apostu, Mircea-Odin; Prysiazhna, Olena; Potaskalov, Vadim A.; Malinkin, Sergey O.","Crystal structure and Hirshfeld surface analysis of the layered hybrid metal halide poly[bis(2-iodoethylammonium) [di-μ-iodido-diiodidogermanate(II)]]","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011800","","","0.71073","MoKα","","0.0421","0.0352","","","0.0861","0.0917","","","","","","1.189","","","","has coordinates","296873","2024-12-14","02:55:55","" "2023335","5.195","0.0002","10.0347","0.0003","18.909","0.0006","90","","91.892","0.003","90","","985.19","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κO}cobalt(II)","","- C10 H18 Co N4 O8 S4 -","- C10 H18 Co N4 O8 S4 -","- C20 H36 Co2 N8 O16 S8 -","2","0.5","WM5739","Kinshakova, Ekaterina; Torambetov, Batirbay; Kaur, Simranjeet; Ashurov, Jamshid; Kadirova, Shakhnoza","Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κO}cobalt(II)","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011939","","x-ray","1.54184","CuKα","","0.045","0.0376","","","0.0911","0.0984","","","","","","1.064","","","","has coordinates","296911","2024-12-18","03:07:16","" "2023336","20.1106","0.0012","9.2112","0.0004","19.2309","0.0012","90","","116.353","0.006","90","","3192.2","0.4","220","2","220.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[bis(4-methylpyridine-κN)cobalt(II)]-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N]","","- C14 H14 Co N4 S2 -","- C14 H14 Co N4 S2 -","- C112 H112 Co8 N32 S16 -","8","1","OX2010","Näther, Christian; Boeckmann, Jan","Synthesis, crystal structure and properties of catena-poly[[bis(4-methylpyridine-κN)cobalt(II)]-di-μ-thiocyanato-κ2 N:S;κ2 S:N], which shows a rare coordination geometry","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024012003","","","0.71073","MoKα","","0.0427","0.0346","","","0.0902","0.0948","","","","","","1.041","","","","has coordinates","296912","2024-12-18","03:08:28","" "2023337","29.0324","0.0008","9.1477","0.0002","15.0296","0.0004","90","","108.533","0.001","90","","3784.56","0.17","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 Br F4 I2 N -","- C15 H20 Br F4 I2 N -","- C120 H160 Br8 F32 I16 N8 -","8","1","YZ2062","Gurbanov, Atash V.; Hökelek, Tuncer; Mammadova, Gunay Z.; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.","Crystal structure and Hirshfeld surface analysis of supramolecular aggregate of 2,2,6,6-tetramethylpiperidin-1-ium bromide with 1,2,3,4-tetrafluoro-5,6-diiodobenzene","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S2056989024011502","","","0.71073","MoKα","","0.0312","0.0262","","","0.067","0.0692","","","","","","1.1","","","","has coordinates","296913","2024-12-18","03:09:05","" "2023338","16.2304","0.0009","6.5804","0.0003","13.2222","0.0007","90","","107.156","0.006","90","","1349.33","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-Nitrophenyl)-2-(piperidin-1-yl)acetamide","","- C13 H17 N3 O3 -","- C13 H17 N3 O3 -","- C52 H68 N12 O12 -","4","1","VM2309","Maimoune, Imane; Kariuki, Benson M.; El Moutaouakil Ala Allah, Abderrazzak; Nchioua, Intissar; Alsubari, Abdulsalam; Mague, Joel T.; Zarrouk, Abdelkader; Ramli, Youssef","Crystal structure and Hirshfeld surface analysis of N-(4-nitrophenyl)-2-(piperidin-1-yl)acetamide (lidocaine analogue)","Acta Crystallographica Section E Crystallographic Communications","2025","81","1","","","10.1107/S205698902401185X","","","0.71073","MoKα","","0.0833","0.0585","","","0.1625","0.1799","","","","","","1.058","","","","has coordinates","296958","2024-12-24","02:55:20",""