# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-02T14:01:51+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 21 1 (c,2*a+c,b)' 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
"1001841","17.53499","0.011","11.889","0.007","12.816","0.008","90","","90","","90","","2671.8","","","","","","","","","","","","","3","P 1 21 1 (c,2*a+c,b)","P 2yb (-1/2*x+z,1/2*x,y)","4","","Trilanthanum rhenium(VII) oxide","","- La3 O8 Re -","- La3 O8 Re -","- La48 O128 Re16 -","16","","","Baud, G; Besse, J; Chevalier, R; Gasperin, M","Structure cristalline de La3 Re O8","Journal of Solid State Chemistry","1979","29","","267","272","10.1016/0022-4596(79)90232-9","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1556109","16.649","0.002","19.163","0.002","27.224","0.003","90","","90","","89.58","","8685.4","1.7","180","2","180","2","","","","","","","","8","P 1 21 1 (c,2*a+c,b)","P 2yb (-1/2*x+z,1/2*x,y)","4","","","","- C67.5 H54.5 Br2 Cl2 N2 O6 P2 Ru -","- C67.46 H48 Br2 Cl2 N2 O6 P2 Ru -","- C269.84 H192 Br8 Cl8 N8 O24 P8 Ru4 -","4","2","","Xu, Yingjian; Alcock, Nat W.; Clarkson, Guy J.; Docherty, Gordon; Woodward, Gary; Wills, Martin","Asymmetric hydrogenation of ketones using a ruthenium(II) catalyst containing BINOL-derived monodonor phosphorus-donor ligands.","Organic letters","2004","6","22","4105","4107","10.1021/ol0481840","","","0.71073","MoKα","","0.212","0.0962","","","0.2069","0.2447","","","","","","0.85","","","","has coordinates,has disorder","243471","2020-10-21","18:00:00",""
"2107629","8.4283","0.0001","14.5984","0.0001","15.7057","0.0001","90","","90","","89.9943","0.0003","1932.42","0.03","95","","95","","","","","","","","","5","P 1 21 1 (c,2*a+c,b)","P 2yb (-1/2*x+z,1/2*x,y)","4","","","","- C12 H30 Co N11 O9 -","- C12 H30 Co N11.0006 O9 -","- C48 H120 Co4 N44.0024 O36 -","4","","DK5043","Dey, Somnath; Schönleber, Andreas; Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander; Larsen, Finn Krebs","The <i>Z</i>' = 12 superstructure of Λ-cobalt(III) sepulchrate trinitrate governed by C—H···O hydrogen bonds","Acta Crystallographica Section B","2016","72","3","372","380","10.1107/S2052520616005503","","x-ray","0.50917","synchrotron","","0.1519","0.0493","","","0.0595","0.0662","","","","2.11","2.11","1.32","","","","has coordinates,has Fobs","183121","2020-10-21","18:00:00",""