# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T13:50:41+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 'Faraday discussions') AND volume = 179 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
"1518310","13.4109","0.0002","16.2568","0.0004","27.9028","0.0006","90","","98.984","0.002","90","","6008.7","0.2","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H28 Ba3 O26 -","- C12 Ba3 O26 -","- C96 Ba24 O208 -","8","1","","Boon, Matthew P.; Freeman, Sandra; Ogden, Mark I.; Oliveira, Allan; Richmond, William R.; Skelton, Brian W.; Jones, Franca","The many roles of mellitic acid during barium sulfate crystallization.","Faraday discussions","2015","179","","343","357","10.1039/c4fd00211c","","","0.71073","MoKα","","0.1026","0.0611","","","0.1561","0.1681","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518537","7.4245","0.0005","13.2237","0.0008","24.7183","0.0016","96.898","0.001","96.177","0.001","90.664","0.001","2394.5","0.3","569","2","569","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","rimonaban monohydrate","","- C22 H23 Cl3 N4 O2 -","- C22 H23 Cl3 N4 O2 -","- C88 H92 Cl12 N16 O8 -","4","2","","Fours, Baptiste; Cartigny, Yohann; Petit, Samuel; Coquerel, Gérard","Formation of new polymorphs without any nucleation step. Desolvation of the rimonabant monohydrate: directional crystallisation concomitant to smooth dehydration.","Faraday discussions","2015","179","","475","488","10.1039/c4fd00222a","","x-ray","0.71073","MoKα","","0.0928","0.0453","","","0.095","0.1072","","","","","","0.829","","","","has coordinates","176729","2020-10-21","18:00:00",""