# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-06T16:21:40+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 'The journal of physical chemistry. B') AND volume = 108 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
"1506809","13.515","0.003","11.858","0.003","10.593","0.003","90","","90","","90","","1697.6","0.7","297.2","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H19 N4 O2 -","- C18 H19 N4 O2 -","- C72 H76 N16 O8 -","4","1","","Nagashima, Hideaki; Inoue, Hidenari; Yoshioka, Naoki","An Ideal One-Dimensional Antiferromagnetic Spin System Observed in Hydrogen-Bonded Naphth[2,3-d]imidazol-2-yl Nitronyl Nitroxide Crystal: The Role of the Hydrogen Bond.","The journal of physical chemistry. B","2004","108","20","6144","6151","10.1021/jp035849r","","","0.71073","MoKα","","","0.041","","","","0.082","","","","","","0.83","","","","has coordinates","176435","2020-10-21","18:00:00",""