# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T18:05:57+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 = 415 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
"1511775","7.239","0.001","15.209","0.003","7.56","0.001","90","","98.89","0.01","90","","822.3","0.2","","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena((μ~3~-4,5,6,7-Tetrahydro-5,7-dioxo-[1,2,4]triazolo-[1,5-a]pyrimidinato) -(μ~2~-aqua)-sodium monohydrate)","","- C5 H7 N4 Na O4 -","- C5 N4 Na O4 -","- C20 N16 Na4 O16 -","4","1","","Sonia Orihuela; M. Purificación Sánchez; Miguel Quirós; José Molina; René Faure","4,5,6,7-Tetrahydro-5,7-dioxo-[1,2,4]triazolo-[1,5-a]pyrimidine: Characterisation and Theoretical Study","Journal of Molecular Structure","1997","415","","285","292","10.1016/S0022-2860(97)00097-5","","","1.54178","CuKα","","","0.051","","","","0.066","","","","","","1.2","","","","has coordinates","176435","2020-10-21","18:00:00",""