# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T21:15:47+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I c m a' 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
"2100945","13.563","0.002","10.939","0.003","9.664","0.002","90","","90","","90","","1433.8","0.5","","","","","","","","","","","","7","I c m a","-I 2b 2b","72","","","","- C8 H32 Br2 Cl4 N8 O16 Pt2 -","- C8 H32 Br2 Cl4 N8 O16 Pt2 -","- C16 H64 Br4 Cl8 N16 O32 Pt4 -","2","0.125","AS0410","Toriumi, K.; Yamashita, M.; Kurita, S.; Murase, I.; Ito, T.","Phase transitions of the halogen-bridged <i>M</i>^II^‒<i>X</i>‒<i>M</i>^IV^ mixed-valence complexes [<i>M</i>(en)~2~][<i>M</i>X~2~(en)~2~](ClO~4~)~4~ (<i>M</i> = Pt,Pd; <i>X</i> = Cl, Br). Structural studies of the high- and low-temperature phases of [Pt(en)~2~][PtBr~2~(en)~2~](ClO~4~)~4~","Acta Crystallographica Section B","1993","49","3","497","506","10.1107/S0108768192009480","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","205908","2020-10-21","18:00:00",""
"4130228","11.465","0.002","22.063","0.004","23.253","0.004","90","","90","","90","","5881.9","1.8","100","2","99.97","","","","","","","","","5","I c m a","-I 2b 2b","72","","","","- C42 H35 F24 N5 P4 -","- C42 H35 F24 N5 P4 -","- C168 H140 F96 N20 P16 -","4","0.25","","Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser","Cooperative Reactivity in an Extended-Viologen-Based Cyclophane.","Journal of the American Chemical Society","2016","138","11","3667","3670","10.1021/jacs.6b01368","","","1.54184","CuKα","","0.058","0.056","","","0.173","0.1756","","","","","","1.152","","","","has coordinates,has disorder","240739","2020-10-21","18:00:00",""