# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T16:34:52+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'R 3 2' 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
"1551071","10.581","0.003","10.581","0.003","12.329","0.003","90","","90","","120","","1195.4","0.6","100","2","100","2","","","","","","","","5","R 3 2","R 3 2""","155","","","","- C12 H25 Cl3 Co N4 -","- C12 H25 Cl3 Co N4 -","- C36 H75 Cl9 Co3 N12 -","3","","","Murrie, Mark; Hay, Moya; Sarkar, Arup; Craig, Gavin A.; Bhaskaran, Lakshmi; Nehrkorn, Joscha; Ozerov, Mykhaylo; Marriott, Katie; Wilson, Claire; Rajaraman, Gopalan; Hill, Stephen","In-depth investigation of large axial magnetic anisotropy in monometallic 3d complexes using frequency domain magnetic resonance and ab initio methods: a study of trigonal bipyramidal Co(II)","Chemical Science","2019","","","","","10.1039/C9SC00987F","","","0.71075","MoKα","","0.0453","0.0376","","","0.0644","0.0674","","","","","","1.105","","","","has coordinates","215336","2020-10-21","18:00:00",""
"2000170","11.097","0.002","11.097","0.002","21.114","0.004","90","","90","","120","","2251.7","0.7","","","","","","","","","","","","4","R 3 2","R 3 2""","","","","","- B4 H9.4 Na2 O11.7 -","- B4 H12 Na2 O13 -","- B36 H108 Na18 O117 -","9","","ST0510","Powell, D. R.; Gaines, D. F.; Zerella, P. J.; Smith, R. A.","Refinement of the structure of tincalconite","Acta Crystallographica Section C","1991","47","11","2279","2282","10.1107/S0108270191006054","","","1.54184","Cu","","","","","","","","","","","","","","","","warnings","has coordinates","249446","2020-10-21","18:00:00",""
"2103390","12.342","","12.342","","17.412","","90","","90","","120","","2296.94","","","","","","","","","","","","","5","R 3 2","","","","","","- C18 H36 Bi P3 S6 -","- C18 H36 Bi P3 S6 -","- C54 H108 Bi3 P9 S18 -","3","","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",""
"2103395","7.967","","7.967","","27.439","","90","","90","","120","","1508.3","","","","","","","","","","","","","5","R 3 2","","","","","","- C12 H24 Bi N5 O12 -","- C12 Bi N5 O12 -","- C36 Bi3 N15 O36 -","3","","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",""
"2103400","8.114","","8.114","","35.96","","90","","90","","120","","2050.31","","","","","","","","","","","","","6","R 3 2","","","","","","- C12 H36 Bi3 Cl3 N6 O12 -","- C12 Bi3 Cl4 N6 O11 -","- C36 Bi9 Cl12 N18 O33 -","3","","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",""
"2103401","15.445","","15.445","","21.06","","90","","90","","120","","4350.76","","","","","","","","","","","","","7","R 3 2","","","","","","- C18 H74 Cl12 Cr3 Fe N18 O -","- C18 Cl14 Cr3 Fe N18 O6 -","- C54 Cl42 Cr9 Fe3 N54 O18 -","3","","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",""
"2103402","15.346","","15.346","","20.88","","90","","90","","120","","4258.45","","","","","","","","","","","","","7","R 3 2","","","","","","- C18 H74 Cl12 Co3 Fe N18 O -","- C18 Cl15 Co3 Fe N18 O2 -","- C54 Cl45 Co9 Fe3 N54 O6 -","3","","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",""
"2103404","17.436","","17.436","","10.907","","90","","90","","120","","2871.64","","","","","","","","","","","","","5","R 3 2","","","","","","- C27 H33 N3 O13 Ru3 -","- C27 H33 N3 O13 Ru3 -","- C81 H99 N9 O39 Ru9 -","3","","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",""
"2241508","8.543","0.004","8.543","0.004","39.11","0.02","90","","90","","120","","2472","2","122","2","122","2","","","","","","","","5","R 3 2","R 3 2""","155","","Trihydrogen bis{[1,1,1-tris(2-oxidoethylaminomethyl)ethane]cobalt(III)} trinitrate","","- C22 H51 Co2 N9 O15 -","- C22 H51 Co2 N9 O15 -","- C66 H153 Co6 N27 O45 -","3","","CV5501","Sethi, Waqas; Johannesen, Heini V.; Morsing, Thorbjørn J.; Piligkos, Stergios; Weihe, Høgni","Crystal structure of trihydrogen bis{[1,1,1-tris(2-oxidoethylaminomethyl)ethane]cobalt(III)} trinitrate","Acta Crystallographica Section E","2015","71","12","m275","m276","10.1107/S2056989015024664","","","0.71073","MoKα","","0.0225","0.0205","","","0.0472","0.0475","","","","","","0.807","","","","has coordinates,has disorder,has Fobs","174761","2020-10-21","18:00:00",""
"4127128","33.9622","0.0003","33.9622","0.0003","83.175","0.002","90","","90","","120","","83084","2","100.15","","100.15","","","","","","","","","7","R 3 2","R 3 2""","155","","","","- C240 H264 Cl6 Mn6 N12 O55.5 Zr12 -","- C240 H264 Cl6 Mn6 N12 O55.5 Zr12 -","- C1440 H1584 Cl36 Mn36 N72 O333 Zr72 -","6","","","Jiao, Jingjing; Tan, Chunxia; Li, Zijian; Liu, Yan; Han, Xing; Cui, Yong","Design and Assembly of Chiral Coordination Cages for Asymmetric Sequential Reactions.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11679","","","1.54178","CuKα","","0.1716","0.1242","","","0.3039","0.3724","","","","","","1.232","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4127129","34.2265","0.0014","34.2265","0.0014","83.822","0.004","90","","90","","120","","85038","6","100.15","","100.15","","","","","","","","","7","R 3 2","R 3 2""","155","","","","- C480 H528 Cl12 Cr12 N24 O105 Zr24 -","- C480 H528 Cl12 Cr12 N24 O105 Zr24 -","- C1440 H1584 Cl36 Cr36 N72 O315 Zr72 -","3","","","Jiao, Jingjing; Tan, Chunxia; Li, Zijian; Liu, Yan; Han, Xing; Cui, Yong","Design and Assembly of Chiral Coordination Cages for Asymmetric Sequential Reactions.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11679","","","1.54178","CuKα","","0.1963","0.0965","","","0.249","0.3501","","","","","","1.056","","","","has coordinates,has disorder","205981","2020-10-21","18:00:00",""
"7120643","26.6485","0.0013","26.6485","0.0013","22.8335","0.0019","90","","90","","120","","14042.6","1.5","173","0.14","173","0.14","","","","","","","","7","R 3 2","R 3 2""","155","","","","- C138 H108 Au11 B5 F20 N6 P8 -","- C138 H108 Au11 B7.9998 F19.9992 N6 P8 -","- C414 H324 Au33 B23.9994 F59.9976 N18 P24 -","3","","","Lei, Zhen; Zhang, Jin-Yuan; Guan, Zong-Jie; Wang, Quan-Ming","Intensely luminescent gold(I) phosphinopyridyl clusters: visualization of unsupported aurophilic interactions in solution","Chem. Commun.","2017","","","","","10.1039/C7CC06944H","","","0.71073","MoKα","","0.0693","0.056","","","0.1593","0.1704","","","","","","1.065","","","","has coordinates","200807","2020-10-21","18:00:00",""
"7223981","24.811","0.001","24.811","0.001","21.455","0.002","90","","90","","120","","11437.9","1.2","150","2","150.15","","","","","","","","","5","R 3 2","R 3 2""","155","","","","- C72 H43 Co3 N6 O13 -","- C72 H43 Co3 N6 O13 -","- C432 H258 Co18 N36 O78 -","6","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.0571","0.038","","","0.0826","0.0914","","","","","","1.052","","","","has coordinates","185174","2020-10-21","18:00:00",""
"7227130","33.835","0.005","33.835","0.005","39.859","0.008","90","","90","","120","","39517","11","293","2","100","2","","","","","","","","5","R 3 2","R 3 2""","155","(R)-MOF-1A","","","- C78 H64 Cu2 N3 O16 -","- C78 H64 Cu2 N3 O16 -","- C1404 H1152 Cu36 N54 O288 -","18","","","Tanaka, Koichi; Nagase, Shohei; Anami, Suguru; Wierzbicki, Michal; Urbanczyk-Lipkowska, Zofia","Enantioselective Diels‒Alder reaction in confined space of homochiral metal‒organic frameworks","RSC Adv.","2016","","","","","10.1039/C6RA23740A","","","0.6888","synchrotron","","0.0751","0.0732","","","0.223","0.2263","","","","","","1.041","","","","has coordinates,has disorder","188553","2020-10-21","18:00:00",""
"7227785","43.6764","0.0014","43.6764","0.0014","28.1864","0.0009","90","","90","","120","","46565","3","295","","295","","","","","","","","","4","R 3 2","R 3 2""","155","γ-cyclodextrin-metal-organic framework","catena-((μ8-γ-Cyclodextrin)-di-potassium dihydroxide)","","- C48 H82 K2 O42 -","- C48 H80 K2 O42 -","- C864 H1440 K36 O756 -","18","","","Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej","Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework.","Physical chemistry chemical physics : PCCP","2017","19","13","9086","9091","10.1039/c7cp00593h","","x-ray","0.6889","synchrotron","","0.1379","0.1354","","","0.3715","0.3798","","","","","","1.946","","","","has coordinates","195186","2020-10-21","18:00:00",""