# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-19T21:40:19+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Chimica Sinica') AND volume = 56 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
"1544728","13.679","0.006","10.706","0.004","6.944","0.006","90","","90","","90","","1016","1","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Br3 Co H15 N5 -","- Br3 Co H15 N5 -","- Br12 Co4 H60 N20 -","4","0.5","","Wu, H. X.; Ma, L. D.; Sun, J.; Kong, X. F.","Ab initio structure determination using conventional X-ray powder diffraction – the crystal structure of [Co(NH~3~)~5~Br]Br~2~","Acta Chimica Sinica","1998","56","","1184","1191","","single crystal","","","","","0.028","","","0.037","","","","","","","","","","","","has coordinates","277831","2022-09-14","14:31:33",""
"6000370","13.692","0.001","10.707","0.001","6.94","0.001","90","","90","","90","","1017.41","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Br3 Co H15 N5 -","- Br3 Co H15 N5 -","- Br12 Co4 H60 N20 -","4","0.5","","Wu, H. X.; Ma, L. D.; Sun, J.; Kong, X. F.","Ab initio structure determination using conventional X-ray powder diffraction – the crystal structure of [Co(NH~3~)~5~Br]Br~2~","Acta Chimica Sinica","1998","56","","1184","1191","","powder diffraction","","","","","0.041","","","","","","","0.042","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""