# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T09:22:09+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 64' 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
"1515992","19.5118","0.0004","19.5118","0.0004","12.0531","0.0003","90","","90","","120","","3973.97","0.15","293","2","293","2","","","","","","","","4","P 64","P 64","172","","","","- C46 H52 N4 O18 -","- C46 H52 N4 O18 -","- C138 H156 N12 O54 -","3","0.5","","Zhang, Juanli; Qian, Zhengyi; Wu, Xingkang; Ding, Yanjiao; Li, Jianfang; Lu, Chunhua; Shen, Yuemao","Juanlimycins A and B, Ansamycin Macrodilactams from Streptomyces sp.","Organic letters","2014","16","10","2752","2755","10.1021/ol501072t","","","1.54178","CuKα","","0.1275","0.0771","","","0.1638","0.1859","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1545612","17.603","0.0003","17.603","0.0003","29.2412","0.0005","90","","90","","120","","7846.9","0.2","173","2","173","2","","","","","","","","8","P 64","P 64","172","","","","- 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","","0.0316","0.026","","","0.0404","0.0417","","","","","","1.025","","","","has coordinates","196475","2020-10-21","18:00:00",""
"2103359","8.1218","","8.1218","","5.8196","","90","","90","","120","","332.452","","","","","","","","","","","","","5","P 64","","","","","","- C14 H14 N2 O4 W -","- C14 H14 N2 O4 W -","- C42 H42 N6 O12 W3 -","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",""
"2103379","15.055","","15.066","","6.886","","90","","90","","120","","1352.62","","","","","","","","","","","","","5","P 64","","","","","","- C18 H16 Cl2 N2 O5 -","- C18 H16 Cl2 N2 O5 -","- C54 H48 Cl6 N6 O15 -","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",""
"2103382","15.914","","15.914","","11.658","","90","","90","","120","","2556.9","","","","","","","","","","","","","5","P 64","","","","","","- C32 H42 N2 P2 Si2 -","- C38 N2 P2 Si2 -","- C114 N6 P6 Si6 -","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",""
"2205981","13.9","0.002","13.9","0.002","16.809","0.003","90","","90","","120","","2812.6","0.8","293","2","293","2","","","","","","","","5","P 64","P 64","172","","Tris(4,4',5,5'-tetramethyl-2,2'-biimidazole)zinc(II) dinitrate","","- C30 H42 N14 O6 Zn -","- C30 H42 N14 O6 Zn -","- C90 H126 N42 O18 Zn3 -","3","0.5","IS6066","Ru-Qiang Zou; Qiang Xu","Tris(4,4',5,5'-tetramethyl-2,2'-biimidazole)zinc(II) dinitrate","Acta Crystallographica Section E","2005","61","6","m1075","m1076","10.1107/S1600536805013954","","","0.71073","MoKα","","0.0592","0.0428","","","0.1034","0.111","","","","","","0.963","","","","has coordinates","176774","2020-10-21","18:00:00",""
"4002907","8.8027","0.0004","8.8027","0.0004","12.7893","0.0006","90","","90","","120","","858.24","0.07","293","","293","","","","","","","","","5","P 64","P 64","172","catena-(tetrakis(m2-2-trifluoromethylimidazolato)-di-zinc)","","","- C8 H4 F6 N4 Zn -","- C8 H4 F6 N4 Zn -","- C24 H12 F18 N12 Zn3 -","3","0.5","","Arhangelskis, Mihails; Katsenis, Athanassios D.; Novendra, Novendra; Akimbekov, Zamirbek; Gandrath, Dayaker; Marrett, Joseph M.; Ayoub, Ghada; Morris, Andrew J.; Farha, Omar K.; Friščić, Tomislav; Navrotsky, Alexandra","Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework","Chemistry of Materials","2019","31","10","3777","","10.1021/acs.chemmater.9b00994","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.018","10.224","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"4035774","28.5703","0.001","28.5703","0.001","9.311","0.0004","90","","90","","120","","6582","0.4","293","2","293.15","","","","","","","","","4","P 64","P 64","172","","","","- C43 H53 N O8 -","- C43 H53 N O8 -","- C258 H318 N6 O48 -","6","1","","Song, Tengfei; Chen, Mengxuan; Ge, Zhi-Wei; Chai, Weiyun; Li, Xing-Cong; Zhang, Zhizhen; Lian, Xiao-Yuan","Bioactive Penicipyrrodiether A, an Adduct of GKK1032 Analogue and Phenol A Derivative, from a Marine-Sourced Fungus Penicillium sp. ZZ380.","The Journal of organic chemistry","2018","83","21","13395","13401","10.1021/acs.joc.8b02172","","","1.54184","CuKα","","0.0935","0.0792","","","0.2187","0.238","","","","","","1.097","","","","has coordinates","227215","2020-10-21","18:00:00",""
"4078431","19.6254","0.0004","19.6254","0.0004","9.1641","0.0002","90","","90","","120","","3056.73","0.11","100","2","100","2","","","","","","","","6","P 64","P 64","172","","","","- C40 H50 Cl2 N4 O2 Ti -","- C40 H50 Cl2 N4 O2 Ti -","- C120 H150 Cl6 N12 O6 Ti3 -","3","0.5","","Tanaka, Ryo; Viehmann, Philipp; Hecht, Stefan","Bis(phenoxy-azo)titanium(IV) Complexes: Synthesis, Structure, and Catalytic Activity in Styrene Polymerization","Organometallics","2012","31","11","4216","","10.1021/om3001636","","","0.71073","MoKα","","0.0363","0.0346","","","0.0825","0.0832","","","","","","1.06","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4100722","21.19","0.005","21.19","0.005","11.783","0.002","90","","90","","120","","4583.4","1.7","148","","148","","","","","","","","","7","P 64","P 64","172","[(R)-3,3'-dibromo-2,2'-binaphthoxy](di-t-butoxy)titanium(IV)","","","- C29.63 H28.63 Br2 Cl0.74 N0.63 O4 Ti -","- C29.63 H28.63 Br2 Cl0.37 N0.63 O4 Ti -","- C177.78 H171.78 Br12 Cl2.22 N3.78 O24 Ti6 -","6","1","","Tang, Hong-Zhi; Boyle, Paul D.; Novak, Bruce M.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0453533","","","","","","","0.051","","","0.048","","","","","","","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4116115","13.7241","0.0003","13.7241","0.0003","18.2281","0.0003","90","","90","","120","","2973.31","0.1","213","2","213","2","","","","","","","","5","P 64","P 64","172","","","","- C20.5 H14.5 Fe N3.5 O6 -","- C20.5 H14.5 Fe N3.5 O6 -","- C123 H87 Fe6 N21 O36 -","6","1","","Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos","Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals","Journal of the American Chemical Society","2000","122","","7503","7517","10.1021/ja000063h","","","0.71073","MoKα","","0.053","0.0405","","","0.1046","0.1155","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4130274","18.7913","0.0012","18.7913","0.0012","11.3257","0.0006","90","","90","","120","","3463.5","0.4","296","2","296","2","","","","","","","","5","P 64","P 64","172","","","","- C24 H22 N2 O4 S -","- C24 H22 N2 O4 S -","- C144 H132 N12 O24 S6 -","6","1","","Ding, Dong; Mou, Tao; Feng, Minghao; Jiang, Xuefeng","Utility of Ligand Effect in Homogenous Gold Catalysis: Enabling Regiodivergent π-Bond-Activated Cyclization.","Journal of the American Chemical Society","2016","138","16","5218","5221","10.1021/jacs.6b01707","","","0.71073","MoKα","","0.1426","0.0514","","","0.0774","0.1031","","","","","","1.047","","","","has coordinates","240772","2020-10-21","18:00:00",""
"4336091","14.007","0.004","14.007","0.004","40.837","0.012","90","","90","","120","","6939","3","293","2","293","2","","","","","","","","6","P 64","P 64","172","(R,R)-bis(mu2-N,N'-bis((8-(2-naphthyl)methoxyquinolin-2-yl)methylene) -1,2-cyclohexanediamine)-di-copper(I) diperchlorate dihydrate tetra-acetonitrile solvate","","","- C104 H94 Cl2 Cu2 N12 O13 -","- C104 H92 Cl2 Cu2 N12 O13 -","- C312 H276 Cl6 Cu6 N36 O39 -","3","0.5","","Massimo Boiocchi; Valentina Brega; Carlo Ciarrocchi; Luigi Fabbrizzi; Piersandro Pallavicini","Dicopper Double-Strand Helicates Held Together by Additional π-π Interactions","Inorganic Chemistry","2013","52","","10643","10652","10.1021/ic401684u","","","0.71073","MoKα","","0.0735","0.0603","","","0.1519","0.1623","","","","","","1.088","","","","has coordinates","213925","2020-10-21","18:00:00",""
"4506971","14.55","0.001","14.55","0.001","29.538","0.003","90","","90","","120","","5415.5","0.8","150","2","150","2","","","","","","","","5","P 64","P 64","172","Hexagram-Type Topology Lamivudine Duplex","lamivudine 0.67-hydrate","","- C24 H37 N9 O11 S3 -","- C24 H37 N9 O11 S3 -","- C144 H222 N54 O66 S18 -","6","1","","Ellena, Javier; Bocelli, Marcio D.; Honorato, Sara B.; Ayala, Alejandro P.; Doriguetto, Antônio C.; Martins, Felipe T.","Base-Paired and Base-Stacked Structures of the Anti-HIV Drug Lamivudine: A Nucleoside DNA-Mimicry with Unprecedented Topology","Crystal Growth & Design","2012","12","10","5138","","10.1021/cg3011794","","","0.71073","MoKα","","0.1574","0.0939","","","0.2395","0.2677","","","","","","1.049","","","","has coordinates,has disorder","179605","2020-10-21","18:00:00",""
"7026821","11.6262","0.001","11.6262","0.001","20.761","0.003","90","","90","","120","","2430.3","0.5","120","2","120","2","","","","","","","","5","P 64","P 64","172","","Tetrafluoro(2,2'-bipyridyl-N,N')titanium(IV)","","- C10 H8 F4 N2 Ti -","- C10 H8 F4 N2 Ti -","- C90 H72 F36 N18 Ti9 -","9","1.5","","Jura, Marek; Levason, William; Petts, Edmund; Reid, Gillian; Webster, Michael; Zhang, Wenjian","Taking TiF4 complexes to extremes‒the first examples with phosphine co-ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","42","10264","10271","10.1039/c0dt00747a","","","0.71073","MoKα","","0.1063","0.079","","","0.154","0.1699","","","","","","1.049","","","","has coordinates","179974","2020-10-21","18:00:00",""
"7159711","29.2","0.001","29.2","0.001","10.1029","0.0004","90","","90","","120","","7460.1","0.5","295","2","295","","","","","","","","","9","P 64","P 64","172","","","","- C39 H45 B F4 N O4 P Pd S -","- C39 H45 B F4 N O4 P Pd S -","- C234 H270 B6 F24 N6 O24 P6 Pd6 S6 -","6","1","","Gavrilov, Konstantin N.; Chuchelkin, Ilya V.; Firsin, Ilya D.; Trunina, Valeria M.; Gavrilov, Vladislav K.; Zheglov, Sergey V.; Fedorov, Denis A.; Tafeenko, Victor A.; Zamilatskov, Ilya A.; Zimarev, Vladislav S.; Goulioukina, Nataliya S.","TADDOL-based <i>P</i>,<i>S</i>-bidentate phosphoramidite ligands in palladium-catalyzed asymmetric allylic substitution.","Organic & biomolecular chemistry","2024","22","3","538","549","10.1039/d3ob01891a","","","1.54186","CuKα","","0.2115","0.0544","","","0.1327","0.1613","","","","","","0.618","","","","has coordinates","289632","2024-02-04","12:30:00",""
"7212210","16.994","0.002","16.994","0.002","6.2966","0.0007","90","","90","","120","","1574.8","0.3","173","2","173","2","","","","","","","","4","P 64","P 64","172","","","","- C21.33 H29.33 N4 O2.33 -","- C20 H26 N4 O2 -","- C60 H78 N12 O6 -","3","0.5","","Becerril, Jorge; Bolte, Michael; Burguete, M. Isabel; Escorihuela, Jorge; Galindo, Francisco; Luis, Santiago V.","A simple peptidomimetic that self-associates on the solid state to form a nanoporous architecture containing chiral π-channels","CrystEngComm","2010","12","6","1722","","10.1039/b922172g","","","0.71073","MoKα","","0.0379","0.0348","","","0.0853","0.0869","","","","","","1.111","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212212","16.939","0.001","16.939","0.001","6.2865","0.0005","90","","90","","120","","1562.12","0.18","173","2","173","2","","","","","","","","5","P 64","P 64","172","","","","- C20.5 H27 Cl N4 O2 -","- C20.5 H27 Cl N4 O2 -","- C61.5 H81 Cl3 N12 O6 -","3","0.5","","Becerril, Jorge; Bolte, Michael; Burguete, M. Isabel; Escorihuela, Jorge; Galindo, Francisco; Luis, Santiago V.","A simple peptidomimetic that self-associates on the solid state to form a nanoporous architecture containing chiral π-channels","CrystEngComm","2010","12","6","1722","","10.1039/b922172g","","","0.71073","MoKα","","0.0843","0.0519","","","0.1183","0.1338","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7235539","21.39","0.015","21.39","","12.812","0.013","90","","90","","120","","5077","6","100","2","100","2","","","","","","","","7","P 64","P 64","172","","","","- C26 H35 N8 O7.5 P2 Pd S2 -","- C26 H35 N8 O7.5 P2 Pd S2 -","- C156 H210 N48 O45 P12 Pd6 S12 -","6","1","","Kapdi, Anant; Gayakhe, Vijay; Sanghvi, Yogesh S.; García, Joaquín; Lozano, Pedro; da Silva, Ivan; Pérez, José; Serrano, J. Luis","New water soluble Pd-imidate complexes as highly efficient catalysts for the synthesis of C5-arylated pyrimidine nucleosides","RSC Adv.","2014","4","34","17567","","10.1039/C4RA01326C","","","0.71073","MoKα","","0.0617","0.046","","","0.1181","0.1293","","","","","","0.89","","","","has coordinates","233118","2020-10-21","18:00:00",""
"7240292","14.63788","0.00016","14.63788","0.00016","13.6616","0.0002","90","","90","","120","","2535.06","0.05","109.9","0.1","109.9","0.1","","","","","","","","3","P 64","P 64","172","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C114 H120 O30 -","6","1","","Yin, Zhao-Kun; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Xu; Zhang, Pei-Cheng; Yang, Ya-Nan","New diterpenoid quinones derived from Salvia miltiorrhiza and their cytotoxic and neuroprotective activities","RSC Advances","2020","10","24","14235","14242","10.1039/D0RA02022B","","x-ray","1.54184","CuKα","","0.0308","0.0305","","","0.0769","0.0771","","","","","","1.082","","","","has coordinates,has disorder","257963","2020-10-21","18:00:00",""
"7245035","30.947","0.002","30.947","0.002","6.2208","0.0007","90","","90","","120","","5159.6","0.7","90","","90","","","","","","","","","3","P 64","P 64","172","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C180 H312 O24 -","12","2","","Ota, Koichiro; Watanabe, Taiki; Igarashi, Shuntaro; Okazaki, Shinnosuke; Kamaike, Kazuo; Miyaoka, Hiroaki","Total syntheses of ent-hypocoprin A and ent-hypocoprin B","RSC Advances","2022","12","26","16576","16580","10.1039/D2RA02891C","","x-ray","0.71073","MoKα","K-L~3~","0.109","0.1075","","","0.2873","0.2889","","","","","","1.063","","","","has coordinates","275851","2022-06-07","01:21:32",""
"7249539","13.2625","0.001","13.2625","0.001","12.4674","0.001","90","","90","","120","","1899.1","0.3","296","2","296","2","","","","","","","","5","P 64","P 64","172","","Benzylsulfinyl-1H-benzo[d]imidazole","","- C14 H12 N2 O S -","- C14 H12 N2 O S -","- C84 H72 N12 O6 S6 -","6","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Investigation of the titanium-mediated catalytic enantioselective oxidation of aryl benzyl sulfides containing heterocyclic groups","RSC Advances","2024","14","47","35105","35113","10.1039/D4RA07088G","","","0.71073","MoKα","","0.1141","0.0659","","","0.0907","0.1026","","","","","","1.096","","","","has coordinates","295771","2024-11-05","02:06:57",""
"7249622","32.329","0.0019","32.329","0.0019","7.1254","0.0005","90","","90","","120","","6449.5","0.7","296","","296","","","","","","","","","3","P 64","P 64","172","","","","- C33.05 H56.45 O2 -","- C32 H54 O2 -","- C192 H324 O12 -","6","1","","Khotchasanthong, Kenika; Pootaeng-On, Yupa; Rayanil, Kanok-on; Sukwattanasinitt, Mongkol; Laksee, Sakchai; Chainok, Kittipong","Structure features of a supramolecular organic framework self-assembled from a chiral natural compound","CrystEngComm","2024","","","","","10.1039/D4CE01008F","","x-ray","0.71073","MoKα","K-L~3~","0.0646","0.0426","","","0.0958","0.1042","","","","","","0.978","","","","has coordinates,has disorder","296028","2024-11-20","23:40:19",""
"7706249","18.412","0.003","18.412","0.003","13.362","0.003","90","","90","","120","","3922.9","1.3","150","2","150","2","","","","","","","","6","P 64","P 64","172","","","","- C52 H32 Cl6 Co2 N10 O4 -","- C52 H32 Cl6 Co2 N10 O4 -","- C156 H96 Cl18 Co6 N30 O12 -","3","0.5","","Papanikolaou, Michael G.; Elliott, Alexander; McAllister, James; Gallos, John K.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.; Sproules, Stephen; Miras, Haralampos N.","Electrocatalytic hydrogen production by dinuclear cobalt(II) compounds containing redox-active diamidate ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15718","15730","10.1039/d0dt02617d","","","0.71073","MoKα","","0.086","0.0431","","","0.0679","0.0766","","","","","","0.804","","","","has coordinates","260509","2021-01-05","07:21:14",""