# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-09T22:56:44+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 'Journal of Molecular Structure') AND volume = 794 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
"1500007","18.6201","0.001","12.0872","0.0006","24.0877","0.0012","90","","90","","90","","5421.3","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H32 Br4 Cd Cl4 Co2 N8 -","- C8 H32 Br4 Cd Cl4 Co2 N8 -","- C64 H256 Br32 Cd8 Cl32 Co16 N64 -","8","1","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós","Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~","Journal of Molecular Structure","2006","794","","341","347","10.1016/j.molstruc.2006.02.053","","","0.71073","MoKα","","0.0973","0.0727","","","0.2214","0.2409","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""