# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-30T11:59:05+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 Physical Chemistry A') AND volume = 104 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
"1558096","11.8194","0.0001","11.8194","0.0001","11.8194","0.0001","90","","90","","90","","1651.15","0.02","","","14","","","","100","","","","","3","P m -3 n","-P 4n 2 3","223","46H2O*7.34CO2","","CO2 clathrate hydrate sI","- C7.34 H92 O60.68 -","- C7.34 D184 O60.688 -","- C7.34 D184 O60.688 -","1","0.0208333","","Henning, R.W.; Schultz, A.J.; Thieu, V.; Halpern, Y.","Neutron diffraction studies of CO2 clathrate hydrate: Formation from deuterated ice","Journal of Physical Chemistry A","2000","104","","5066","5071","","","","","","","","","","","","","","","","","","","","","","has coordinates","252330","2020-10-21","18:00:00",""