# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-27T04:11:31+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 the American Chemical Society') AND volume = 85 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
"1008156","4.315","","4.315","","6.99","","90","","90","","90","","130.1","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Xenon(II) fluoride","","- F2 Xe -","- F2 Xe -","- F4 Xe2 -","2","0.0625","","Levy, H A; Agron, P A","The Crystal and Molecular Structure of Xenon Difluoride by Neutron Diffraction","Journal of the American Chemical Society","1963","85","","241","242","10.1021/ja00885a037","","","","","","0.097","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4124682","4.315","","4.315","","6.99","","90","","90","","90","","130.148","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Xe F2","","- F2 Xe -","- F2 Xe -","- F4 Xe2 -","2","0.0625","","Siegel, S.; Gebert, E.","Crystallographic studies of Xe F2 and Xe F4","Journal of the American Chemical Society","1963","85","","240","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124689","5.05","","5.922","","5.771","","90","","99.6","","90","","170.171","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","Xe F4","","- F4 Xe -","- F4 Xe -","- F8 Xe2 -","2","0.5","","Templeton, D.H.; Zalkin, A.; Williamson, S.M.; Forrester, J.D.","Crystal and molecular structure of xenon tetrafluoride","Journal of the American Chemical Society","1963","85","","242","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124690","6.163","","8.115","","5.234","","90","","90","","90","","261.767","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Xe O3","","- O3 Xe -","- O3 Xe -","- O12 Xe4 -","4","1","","Templeton, D.H.; Zalkin, A.; Forrester, J.D.; Williamson, S.W.","Crystal and Molecular Structure of Xenon Trioxide","Journal of the American Chemical Society","1963","85","","817","817","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124799","6.63","","11.31","","16.25","","90","","90","","90","","1218.51","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","Pb (N3)2","","- N6 Pb -","- N6 Pb -","- N72 Pb12 -","12","3","","Glen, G.L.","A neutron diffraction study of alpha-lead azide","Journal of the American Chemical Society","1963","85","","3892","3894","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""