# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-19T16:53:28+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 62' 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
"1508318","25.324","0.011","25.324","","5.877","0.003","90","","90","","120","","3264","2","273","2","273","2","","","","","","","","3","P 62","P 62","171","","","","- C31 H24 O -","- C31 H24 O -","- C186 H144 O6 -","6","1","","Rivera-Fuentes, Pablo; Rekowski, Margarete von Wantoch; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Cascade Carbopalladation Reaction between Alkynes and gem-Dibromoolefins: Facile Access to Monoannelated Pentalenes.","Organic letters","2012","14","16","4066","4069","10.1021/ol301670d","","","1.54178","CuKα","","0.0991","0.0599","","","0.1224","0.1367","","","","","","1.092","","","","has coordinates,has disorder","189517","2020-10-21","18:00:00",""
"1545609","17.5994","0.0005","17.5994","0.0005","29.2422","0.0009","90","","90","","120","","7844","0.4","173","2","173","2","","","","","","","","8","P 62","P 62","171","","","","- C50 H98 Ag20 Cr5 F12 N4 O30 S10 -","- C50 H98 Ag20 Cr5 F12 N4 O30 S10 -","- C150 H294 Ag60 Cr15 F36 N12 O90 S30 -","3","0.5","","Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.","Nanoscale","2017","9","16","5305","5314","10.1039/c7nr00732a","","","0.71073","MoKα","","0.0635","0.043","","","0.0621","0.0689","","","","","","1.102","","","","has coordinates","196475","2020-10-21","18:00:00",""
"1553390","13.403","0.0008","13.403","0.0008","17.8604","0.001","90","","90","","120","","2778.6","0.3","293","2","293","2","","","","","","","","4","P 62","P 62","171","","","","- C38 H50 O14 S -","- C38 H50 O14 S -","- C114 H150 O42 S3 -","3","0.5","","Huang, Hongbo; Song, Yongxiang; Li, Xin; Wang, Xin; Ling, Chunyao; Qin, Xiangjing; Zhou, Zhenbin; Li, Qinglian; Wei, Xiaoyi; Ju, Jianhua","Abyssomicin Monomers and Dimers from the Marine-Derived Streptomyces koyangensis SCSIO 5802.","Journal of natural products","2018","81","8","1892","1898","10.1021/acs.jnatprod.8b00448","","","1.54184","CuKα","","0.0471","0.045","","","0.1211","0.1229","","","","","","1.161","","","","has coordinates","301780","2025-08-18","21:43:29",""
"1558956","12.309","0.005","12.309","0.005","9.665","0.002","90","","90","","120","","1268.2","0.8","","","143","","","","","","","","","3","P 62","P 62","171","(±)-1,2-Bis(3,4-dimethoxyphenyl)-1,2-ethanediol","","","- C18 H22 O6 -","- C18 H22 O6 -","- C54 H66 O18 -","3","0.5","","Karlsson, Olov; Lundquist, Knut; Stomberg, Rolf","Preparation and Crystal Structure of (±)-1,2-Bis(3,4-dimethoxyphenyl)-1,2-ethanediol","Acta Chemica Scandinavica","1993","47","","728","733","10.3891/acta.chem.scand.47-0728","","x-ray","0.71069","MoKα","","","0.033","","","0.034","","","","","","","1.65","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1564241","19.5054","0.0004","19.5054","0.0004","10.8702","0.0002","90","","90","","120","","3581.61","0.12","296.8","0.5","296.8","0.5","","","","","","","","5","P 62","P 62","171","","","","- C26 H27 Br N2 O3 -","- C26 H27 Br N2 O3 -","- C156 H162 Br6 N12 O18 -","6","1","","Yang, Yang; Zhu, Bo; Zhu, Lei; Jiang, Ying; Guo, Chun-Ling; Gu, Jing; ouyang, qin; Du, Wei; Chen, Ying-Chun","Combining palladium and ammonium halide catalysts for Morita−Baylis−Hillman carbonates of methyl vinyl ketone: From 1,4-carbodipoles to ion pairs","Chemical Science","2021","","","","","10.1039/D1SC03517G","","x-ray","1.54184","CuKα","","0.0482","0.0458","","","0.123","0.1269","","","","","","1.056","","","","has coordinates","267710","2021-07-23","01:57:48",""
"2003622","21.8247","0.0007","21.8247","0.0007","11.1964","0.0004","90","","90","","120","","4618.5","0.3","295","","","","","","","","","","","3","P 62","P 62","171","","","","- C17 H20 O2 -","- C17 H20.5 O2 -","- C204 H246 O24 -","12","2","AB1235","Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.","A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid","Acta Crystallographica Section C","1995","51","7","1447","1452","10.1107/S0108270195000801","","","1.5418","CuKα","","","0.055","","","0.074","","","","","1.05","1.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012262","24.661","0.01","24.661","0.01","7.232","0.01","90","","90","","120","","3809","6","150","","150","","","","","","","","","3","P 62","P 62","171","","4,4-dimethyl-22-oxa-5α,20β-cholesta-8,14,24-trien-3β-ol","","- C28 H44 O2 -","- C28 H44 O2 -","- C168 H264 O12 -","6","1","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0823","0.0753","","","","0.1399","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2103353","19.221","","19.221","","8.348","","90","","90","","120","","2670.95","","","","","","","","","","","","","5","P 62","","","","","","- C34 H36 N4 S3 Zn -","- C34 H36 N4 S3 Zn -","- C102 H108 N12 S9 Zn3 -","3","0.5","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2203517","29.633","0.007","29.633","0.007","12.035","0.003","90","","90","","120","","9152","4","105","2","105","2","","","","","","","","4","P 62","P 62","171","","L-Leucyl-L-isoleucine 0.75-hydrate","","- C12 H25.5 N2 O3.76 -","- C12.0025 H25.528 N2 O3.7615 -","- C288.06 H612.672 N48 O90.276 -","24","4","WN6230","Görbitz, Carl Henrik","<small>L</small>-Leucyl-<small>L</small>-isoleucine 0.75 hydrate","Acta Crystallographica Section E","2004","60","4","o647","o650","10.1107/S1600536804006518","","","0.71073","MoKα","","0.0937","0.0534","","","0.1182","0.1389","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","194389","2020-10-21","18:00:00",""
"2221907","12.9879","0.001","12.9879","0.001","16.042","0.002","90","","90","","120","","2343.5","0.4","298","2","298","2","","","","","","","","5","P 62","P 62","171","","Triphenylbis[4-(trifluoromethyl)benzoato-κ<i>O</i>]antimony(V)","","- C34 H23 F6 O4 Sb -","- C34 H23 F6 O4 Sb -","- C102 H69 F18 O12 Sb3 -","3","0.5","BH2229","Quan, Li; Yin, Handong; Cui, Liansheng; Yang, Minglei; Wang, Daqi","Triphenylbis[4-(trifluoromethyl)benzoato-κ<i>O</i>]antimony(V)","Acta Crystallographica Section E","2009","65","6","m656","m657","10.1107/S1600536809017449","","","0.71073","MoKα","","0.0941","0.0582","","","0.1243","0.1453","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"4002432","17.39","","17.39","","13.036","","90","","90","","120","","3414.08","","","","","","","","","","","","","2","P 62","P 62","171","","Si O2","","- O2 Si -","- O2 Si -","- O48 Si24 -","24","4","","Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T.","Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials","Chemistry of Materials (1,1989-)","2006","18","","1464","1469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4127311","34.5345","0.0011","34.5345","0.0011","8.5499","0.0004","90","","90","","120","","8830.8","0.6","100","2","99.95","","","","","","","","","4","P 62","P 62","171","","","","- C66 H55 N7 O13 -","- C66 H55 N7 O13 -","- C396 H330 N42 O78 -","6","1","","Beldjoudi, Yassine; Narayanan, Ashwin; Roy, Indranil; Pearson, Tyler J.; Cetin, M. Mustafa; Nguyen, Minh T.; Krzyaniak, Matthew D.; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stupp, Samuel I.; Stoddart, J. Fraser","Supramolecular Tessellations by a Rigid Naphthalene Diimide Triangle.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b08758","","","1.54178","CuKα","","0.0846","0.0706","","","0.1908","0.2038","","","","","","1.025","","","","has coordinates,has disorder","219580","2020-10-21","18:00:00",""
"4127389","38.5549","0.0016","38.5549","0.0016","14.8445","0.0007","90","","90","","120","","19109.8","1.4","100","","100","","","","","","","","","5","P 62","P 62","171","","","","- C36 H41 N O7 S -","- C36 H41 N O7 S -","- C864 H984 N24 O168 S24 -","24","4","","Guo, Lian-Dong; Hou, Jieping; Tu, Wentong; Zhang, Yan; Zhang, Yue; Chen, Louxi; Xu, Jing","Total Synthesis of Dapholdhamine B and Dapholdhamine B Lactone.","Journal of the American Chemical Society","2019","141","29","11713","11720","10.1021/jacs.9b05641","","x-ray","0.71073","MoKα","","0.0787","0.0542","","","0.0952","0.102","","","","","","1.121","","","","has coordinates,has disorder","301834","2025-08-20","16:40:56",""
"4132178","17.8047","0.0004","17.8047","0.0004","6.9972","0.0002","90","","90","","120","","1920.99","0.08","100","2","100","2","","","","","","","","6","P 62","P 62","171","","","","- C11 H12.5 F N O4.25 S -","- C11 H12.5 F N O4.25 S -","- C66 H75 F6 N6 O25.5 S6 -","6","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","1.54178","CuKα","","0.0341","0.0333","","","0.0898","0.0904","","","","","","1.072","","","","has coordinates,has disorder","242206","2020-10-21","18:00:00",""
"4134874","18.0955","0.0002","18.0955","0.0002","10.6307","0.0001","90","","90","","120","","3014.63","0.05","100","2","100","2","","","","","","","","7","P 62","P 62","171","","","","- C14 H12 Br Cl F2 N4 O3 -","- C20 H20 Br Cl F2 N O1.77 -","- C120 H120 Br6 Cl6 F12 N6 O10.62 -","6","1","","Miller, Edward; Kim, Suhong; Gibson, Katarina; Derrick, Jeffrey S.; Toste, F. Dean","Regio- and Enantioselective Bromocyclization of Difluoroalkenes as a Strategy to Access Tetrasubstituted Difluoromethylene-Containing Stereocenters.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02331","","x-ray","1.54184","CuKα","","0.1111","0.1093","","","0.356","0.3658","","","","","","1.85","","","","has coordinates,has disorder","251380","2020-10-21","18:00:00",""
"4349505","22.7393","0.0015","22.7393","0.0015","10.7316","0.001","90","","90","","120","","4805.6","0.6","296","2","296","2","","","","","","","","5","P 62","P 62","171","","","","- C21 H10 Cu N2 O8 -","- C21 H10 Cu N2 O8 -","- C126 H60 Cu6 N12 O48 -","6","1","","Jiao, Jingjing; Liu, Huimin; Chen, Fengli; Bai, Dongjie; Xiong, Shunshun; He, Yabing","An anionic metal‒organic framework based on angular tetracarboxylic acid and a mononuclear copper ion for selective gas adsorption","Inorganic Chemistry Frontiers","2016","3","11","1411","","10.1039/C6QI00245E","","","0.71073","MoKα","","0.1148","0.0992","","","0.2992","0.3149","","","","","","1.038","","","","has coordinates","234834","2020-10-21","18:00:00",""
"4510885","10.0283","0.0003","10.0283","0.0003","26.851","0.001","90","","90","","120","","2338.55","0.13","293","2","293","2","","","","","","","","6","P 62","P 62","171","","","","- C28 H24 Co F6 N4 O5 -","- C28 H24 Co F6 N4 O5 -","- C84 H72 Co3 F18 N12 O15 -","3","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.0685","0.0478","","","0.1132","0.1269","","","","","","1.064","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"7015530","12.4784","0.0017","12.4784","0.0017","14.4891","0.0019","90","","90","","120","","1953.8","0.5","173","2","173","2","","","","","","","","5","P 62","P 62","171","","","","- C23 H19 Cl2 Cu N7 -","- C23 H19 Cl2 Cu N7 -","- C69 H57 Cl6 Cu3 N21 -","3","0.5","","Brotherton, Wendy S.; Guha, Pampa M.; Phan, Hoa; Clark, Ronald J.; Shatruk, Michael; Zhu, Lei","Tridentate complexes of 2,6-bis(4-substituted-1,2,3-triazol-1-ylmethyl)pyridine and its organic azide precursors: an application of the copper(II) acetate-accelerated azide-alkyne cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3655","3665","10.1039/c0dt01702g","","","0.71073","MoKα","","0.0433","0.043","","","0.102","0.1021","","","","","","1.232","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034702","20.2162","0.0004","20.2162","0.0004","16.8492","0.0003","90","","90","","120","","5963.6","0.2","170","","170","","","","","","","","","6","P 62","P 62","171","","","","- C56 H76 Cl0.79 Cu8 N11.21 O25.62 -","- C56 H76 Cl0.8 Cu8 N11.2 O25.6 -","- C168 H228 Cl2.4 Cu24 N33.6 O76.8 -","3","0.5","","Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K.","Turning a ""useless"" ligand into a ""useful"" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10177","10187","10.1039/c5dt00884k","","","0.7107","MoKα","","0.0436","0.0378","","","0.1083","0.1126","","","","","","1.089","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7039708","20.8493","0.0005","20.8493","0.0005","17.0636","0.0006","90","","90","","120","","6423.7","0.3","100","2","100","2","","","","","","","synthetical product","5","P 62","P 62","171","tetrakis(2,4-di-tert-butyl-6-{(E)-[(3-methoxypropyl)imino]methyl}phe-nolato)-(mu2-oxo)-dioxo-di-molybdenum(V) acetonitrile solvate (1:2)","tetrakis(2,4-di-tert-butyl-6-{(E)-[(3-methoxypropyl)imino]methyl}phe-nolato)-(mu2-oxo)-dioxo-di-molybdenum(V) acetonitrile solvate (1:2)","","- C80 H126 Mo2 N6 O11 -","- C80 H126 Mo2 N6 O11 -","- C240 H378 Mo6 N18 O33 -","3","0.5","","Zwettler, Niklas; Judmaier, Martina E.; Strohmeier, Lara; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Oxygen activation and catalytic aerobic oxidation by Mo(iv)/(vi) complexes with functionalized iminophenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14549","14560","10.1039/c6dt01692h","","","0.71073","MoKα","","0.0885","0.0547","","","0.109","0.1272","","","","","","1.034","","","","has coordinates,has disorder","187142","2020-10-21","18:00:00",""
"7043553","16.14","0.002","16.14","0.002","16.758","0.002","90","","90","","120","","3780.6","0.8","296.15","","296.15","","","","","","","","","5","P 62","P 62","171","","","","- C40 H44 Co2 N18 O13 -","- C32 H22 Co2 N16 O9 -","- C96 H66 Co6 N48 O27 -","3","0.5","","Yan, Yang-Tian; Zhang, Si-Si; Yang, Guo-Ping; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu","The influence of coordination modes and active sites of a 5-(triazol-1-yl) nicotinic ligand on the assembly of diverse MOFs","Dalton Trans.","2017","","","","","10.1039/C7DT01523B","","","0.71073","MoKα","","0.0594","0.0448","","","0.1208","0.1287","","","","","","1.027","","","","has coordinates,has disorder","198617","2020-10-21","18:00:00",""
"7122220","15.5268","0.0011","15.5268","0.0011","16.7336","0.0012","90","","90","","120","","3493.7","0.4","123","2","123","2","","","","","","","","4","P 62","P 62","171","","","","- C13 H9 I O3 -","- C13 H9 I O3 -","- C156 H108 I12 O36 -","12","2","","Yoshimura, Akira; Shea, Michael T.; Guselnikova, Olga; Postnikov, Pavel S.; Rohde, Gregory T.; Saito, Akio; Yusubov, Mekhman S.; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and structure of phenolic aryliodonium salts.","Chemical communications (Cambridge, England)","2018","54","73","10363","10366","10.1039/c8cc06211k","","","0.71075","MoKα","","0.0454","0.0371","","","0.0647","0.0681","","","","","","1.022","","","","has coordinates","301860","2025-08-22","09:24:08",""
"7124295","15.465","0.003","15.465","0.003","6.3597","0.0013","90","","90","","120","","1317.2","0.5","293","2","293","2","","","","","","","","5","P 62","P 62","171","","","","- C12 H10 N4 O4 Zn -","- C12 H10 N4 O4 Zn -","- C36 H30 N12 O12 Zn3 -","3","0.5","","Hou, Hongwei; Shao, Chao Zhi; Yu, Cai-Xia; Xie, Qiong; Wu, Qiong; Zhao, Yujie","Porous functionalized MOF self-evolution promoting molecule encapsulation and Hg2+ removal","Chemical Communications","2019","","","","","10.1039/C9CC06849J","","","0.71073","MoKα","","0.0192","0.019","","","0.0459","0.0461","","","","","","0.777","","","","has coordinates","219226","2020-10-21","18:00:00",""
"7127830","20.5184","0.0011","20.5184","0.0011","13.0844","0.0007","90","","90","","120","","4770.6","0.4","100","","100.15","","","","","","","","","6","P 62","P 62","171","","","","- C68.22 H58.66 Cl3.78 N4 O0.74 Pd2 -","- C68.274 H58.822 Cl3.726 N4 O0.758 Pd2 -","- C204.822 H176.466 Cl11.178 N12 O2.274 Pd6 -","3","0.5","","Lin, Jinqiang; Xie, Mo; Zhang, Xiaobao; Gao, Qin; Chang, Xiaoyong; Zou, Chao; Lu, Wei","Helically chiral Pd(ii) complexes containing intramolecular PdPd metallophilicity as circularly polarized molecular phosphors.","Chemical communications (Cambridge, England)","2021","57","13","1627","1630","10.1039/d0cc08188d","","x-ray","0.71073","MoKα","","0.0923","0.0818","","","0.212","0.2207","","","","","","1.09","","","","has coordinates,has disorder","262488","2021-03-05","01:20:01",""
"7156649","16.098","0.0005","16.098","0.0005","10.9326","0.0004","90","","90","","120","","2453.57","0.14","293","2","293","2","","","","","","","","4","P 62","P 62","171","","(R)-3-benzyl-3-((R)-4-hydroxybutan-2-yl)indolin-2-one","","- C38 H42 N2 O4 -","- C38 H42 N2 O4 -","- C114 H126 N6 O12 -","3","0.5","","Cheng, Wen-Fu; Chen, Ling-Yan; Xu, Fang-Fang; Lin, Wei-Yu; Ren, Xinfeng; Li, Ya","Organocatalytic asymmetric Michael addition between 3-subsituted oxindoles and enals catalyzed by camphor sulfonyl hydrazine.","Organic & biomolecular chemistry","2019","17","4","885","891","10.1039/c8ob02934b","","","1.54178","CuKα","","0.0356","0.0325","","","0.0826","0.0855","","","","","","1.05","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7203787","21.1806","0.0015","21.1806","0.0015","5.6912","0.0006","90","","90","","120","","2211.1","0.3","100","2","100","2","","","","","","","","5","P 62","P 62","171","","","","- C12 H22 N Na O6 -","- C12 H22 N Na O6 -","- C72 H132 N6 Na6 O36 -","6","1","","Godinez-Salomon, Fernando; Hallen-Lopez, Jose M.; Höpfl, Herbert; Morales-Pacheco, Adela; Beltrán, Hiram I.; Zamudio-Rivera, Luis S.","Strecker intermediates as non-pollutant scavengers for cyanides","Green Chemistry","2005","7","10","716","","10.1039/b504406e","","","0.71073","MoKα","","0.0538","0.0533","","","0.1293","0.1297","","","","","","1.129","","","","has coordinates","288181","2023-12-08","12:50:43",""
"7205799","15.9164","0.0008","15.9164","0.0008","7.8769","0.0004","90","","90","","120","","1728.13","0.15","100","2","100","2","","","","","","","","4","P 62","P 62","171","solvated gamma-aminobutyric acid","solvated gamma-aminobutyric acid","","- C8.2 H18 N2 O4.1 -","- C8.2 H18 N2 O4.1 -","- C49.2 H108 N12 O24.6 -","6","1","","de Vries, Elise J. C.; Levendis, Demetrius C.; Reece, Hayley A.","A hexagonal solvate of the neurotransmitter γ-aminobutyric acid","CrystEngComm","2011","13","10","3334","","10.1039/c0ce00803f","","","0.71073","MoKα","","0.1018","0.0542","","","0.1214","0.1396","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215423","16.533","0.004","16.533","0.004","14.654","0.005","90","","90","","120","","3468.9","1.7","293","2","293","2","","","","","","","","4","P 62","P 62","171","","","","- C21 H31 N6 O4.5 -","- C21 H31 N6 O4.5 -","- C126 H186 N36 O27 -","6","1","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.0797","0.0412","","","0.0803","0.091","","","","","","0.997","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"8103181","12.2812","0.0002","12.2812","0.0002","18.774","0.0004","90","","90","","120","","2452.27","0.08","293","2","293","2","","","","","","","","5","P 62","P 62","171","","Bis[l-2-(1H-benzoimidazol-2-yl)benzoato?^2^N,O](1,10-phenanthroline)Cd(II)","","- C40 H26 Cd N6 O4 -","- C40 H26 Cd N6 O4 -","- C120 H78 Cd3 N18 O12 -","3","0.5","","Chun Chen; Jian-Fang Ma","Crystal structure of bis[2-(1H-benzimidazol-2-yl)-benzoato-?2N,O](1,10-phenanthroline)Cd(II), Cd(C14H9N2O2)2(C12H8N2)","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","409","","","","","0.71073","MoKα","","0.0528","0.0288","","","0.0559","0.0589","","","","","","0.819","","","","has coordinates","301880","2025-08-22","23:45:49",""