# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T08:42:25+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I2/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
"2100459","8.68731","0.00007","5.82756","0.00004","9.94376","0.00006","90","","100.44","0.0008","90","","495.076","0.005","5","","5","","","","","","","","","4","I2/a","-I 2ya","15","dimethyl sulphate","dimethyl sulfate","","- C2 D6 O4 S -","- C2 D6 O4 S -","- C8 D24 O16 S4 -","4","","WS5036","","","Acta Crystallographica, Section B","2006","62","2","280","286","10.1107/S0108768106001893","","neutron","","time-of-flightneutron","","","","","","","","","","1.64","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""