# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-13T06:07:53+02:00
# 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 = 882 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
"1500002","13.786","0.0007","9.4013","0.0005","17.6679","0.0009","90","","98.672","0.001","90","","2263.7","0.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cd Cl4 N8 O2 -","- C14 H22 Cd Cl4 N8 O2 -","- C56 H88 Cd4 Cl16 N32 O8 -","4","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives","Journal of Molecular Structure","2008","882","","30","34","10.1016/j.molstruc.2007.09.004","","","0.71073","MoKα","","0.0236","0.0222","","","0.058","0.059","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500004","11.7543","0.0007","12.6823","0.0007","6.6836","0.0004","90","","96.71","0.001","90","","989.51","0.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cd Cl3 N4 -","- C5 H5 Cd Cl3 N4 -","- C20 H20 Cd4 Cl12 N16 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives","Journal of Molecular Structure","2008","882","","30","34","10.1016/j.molstruc.2007.09.004","","","0.71073","MoKα","","0.0229","0.0214","","","0.055","0.0559","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""