# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-01T06:08:58+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 'New journal of chemistry = Nouveau journal de chimie') AND volume = 31 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
"7052133","14.2033","0.0003","16.447","0.0004","20.4164","0.0005","90","","90","","90","","4769.31","0.19","100","2","100","2","","","","","","","synthesized","6","P b c a","-P 2ac 2ab","61","","","","- C46 H34 Cl6 I4 N2 O2 -","- C46 H34 Cl6 I4 N2 O2 -","- C184 H136 Cl24 I16 N8 O8 -","4","0.5","","Arunkumar, Easwaran; Sudeep, Pallikkara K.; Kamat, Prashant V.; Noll, Bruce C.; Smith, Bradley D.","Singlet oxygen generation using iodinated squaraine and squaraine-rotaxane dyes.","New journal of chemistry = Nouveau journal de chimie","2007","31","5","677","683","10.1039/b616224j","","x-ray","0.71073","MoKα","","0.0322","0.0213","","","0.0467","0.0512","","","","","","1.038","","","","has coordinates","180075","2020-10-21","18:00:00",""