# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-01T18:00:29+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n 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
"7037662","9.627","0.0003","13.267","0.0004","17.219","0.0005","90","","90","","90","","2199.23","0.11","150","2","150","2","","","","","","","","7","P n c b","-P 2b 2bc","50","","","","- C29.8 H36.2 Br1.4 I0.6 N4.6 O10.6 Zn2 -","- C22 H12 Br1.4 I0.6 N2 O8 Zn2 -","- C44 H24 Br2.8 I1.2 N4 O16 Zn4 -","2","","","Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D.","Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4316","4326","10.1039/c5dt04045k","","","0.71073","MoKα","","0.1186","0.095","","","0.2457","0.2667","","","","","","1.111","","","","has coordinates,has disorder","177798","2020-10-21","18:00:00",""