# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-25T08:08:32+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 = 126 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
"1566737","10.4997","0.0003","15.5071","0.0005","35.5889","0.0005","83.392","0.002","82.236","0.002","71.57","0.003","5430.8","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C108.96 H78.42 Cl1.5 N5 O12 -","- C108.96 H78.42 Cl1.5 N5 O12 -","- C217.92 H156.84 Cl3 N10 O24 -","2","1","","Loong, Hao; Zhou, Jiadong; Jiang, Nianqiang; Feng, Yi; Xie, Guojing; Liu, Linlin; Xie, Zengqi","Photoinduced Cascading Charge Transfer in Perylene Bisimide-Based Triads.","The journal of physical chemistry. B","2022","126","12","2441","2448","10.1021/acs.jpcb.2c00965","","x-ray","1.54184","CuKα","","0.1754","0.1474","","","0.3999","0.4403","","","","","","1.264","","","","has coordinates,has disorder","274290","2022-04-04","00:04:17",""