# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T05:45:58+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 'Faraday Discussions') AND volume = 203 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
"1545578","5.6232","0.0002","22.4248","0.0007","5.8554","0.0002","90","","93.3206","0.0016","90","","737.12","0.04","100","2","100.01","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H16 Br3 F N2 -","- C11 H16 Br3 F N2 -","- C22 H32 Br6 F2 N4 -","2","0.5","","Rosokha, Sergiy V.","Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding","Faraday Discussions","2017","203","","315","332","10.1039/C7FD00074J","","","1.54178","CuKα","","0.022","0.0208","","","0.054","0.0554","","","","","","1.051","","","","has coordinates,has disorder","282777","2023-04-20","11:56:45",""
"1545579","14.0422","0.0003","5.9462","0.0001","20.4996","0.0004","90","","93.4347","0.0011","90","","1708.6","0.06","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Br12 N6 O4 -","- C18 H24 Br12 N6 O4 -","- C36 H48 Br24 N12 O8 -","2","0.5","","Rosokha, Sergiy V.","Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding","Faraday Discussions","2017","203","","315","332","10.1039/C7FD00074J","","","0.71073","MoKα","","0.034","0.0221","","","0.0513","0.0674","","","","","","1.111","","","","has coordinates","282777","2023-04-20","11:56:45",""