# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T21:00:02+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 Chemical Physics') AND volume = 76 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
"1530236","7.6937","","7.6937","","7.6937","","90","","90","","90","","455.413","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- N2 O4 -","- N2 O4 -","- N12 O24 -","6","0.125","","Kvick, A.; McMullan, R.K.; Newton, M.D.","The structure of dinitrogen tetroxide N2 O4: neutron diffraction study at 100, 60, and 20 K and ab initio theoretical calculations","Journal of Chemical Physics","1982","76","","3754","3761","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530237","7.0749","","7.0749","","17.8909","","90","","90","","120","","775.539","","","","","","","","","","","","","4","P 65","P 65","170","","Ba (N O2)2 (H2 O)","","- Ba H2 N2 O5 -","- Ba H2 N2 O5 -","- Ba6 H12 N12 O30 -","6","1","","Kvick, A.; Abrahams, S.C.; Liminga, R.","Neutron diffraction structural study of pyroelectric Ba (N O2)2 H2 O at 298, 102, and 20 K","Journal of Chemical Physics","1982","76","","5508","5514","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537605","8.434","","8.434","","20.695","","90","","90","","120","","1274.86","","","","","","","","","","","","","4","P 64 2 2","P 64 2 (0 0 2)","181","","Co (Au (C N)2)2","","- C4 Au2 Co N4 -","- C4 Au2 Co N4 -","- C24 Au12 Co6 N24 -","6","0.5","","Abrahams, S.C.; Bernstein, J.L.; Zyontz, L.E.","Coblat cyanoaurate: Crystal structure of a component from cobalt-hardened gold electroplating baths","Journal of Chemical Physics","1982","76","","5458","5462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""