# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-28T09:28:01+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 Physical Chemistry B') AND volume = 102 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
"6000449","24.953","","24.953","","24.953","","90","","90","","90","","15537","","","","","","","","","","","","","6","Fd3","","","","","","- C168 H168 Al92 Ca46 O384 Si100 -","","","","","","Yeom, Y. H.; Kim, A. N.; Kim, Y.; Song, S. H.; Seff, K.","Crystal structure of a benzene sorption complex of dehydrated fully Ca2±exchanged zeolite x","Journal of Physical Chemistry B","1998","102","","6071","6077","10.1021/jp981437k","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""