# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-02T13:20:43+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 Molecular Structure') AND volume = 1013 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
"1512990","8.1498","0.0008","8.569","0.0008","16.9722","0.0016","97.46","0.002","93.936","0.002","101.587","0.002","1145.79","0.19","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl4 Co N2 O3 -","- C20 H22 Cl4 Co N2 O3 -","- C40 H44 Cl8 Co2 N4 O6 -","2","1","","Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi","Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations","Journal of Molecular Structure","2012","1013","0","102","110","10.1016/j.molstruc.2012.01.023","","","0.71073","MoKα","","0.0735","0.0671","","","0.1609","0.1652","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512991","8.1684","0.0011","8.6173","0.0012","17.17","0.002","97.796","0.002","93.831","0.002","102.295","0.002","1164.2","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl4 N2 O3 Zn -","- C20 H22 Cl4 N2 O3 Zn -","- C40 H44 Cl8 N4 O6 Zn2 -","2","1","","Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi","Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations","Journal of Molecular Structure","2012","1013","0","102","110","10.1016/j.molstruc.2012.01.023","","","0.71073","MoKα","","0.0844","0.0723","","","0.2034","0.2146","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512992","8.077","0.0014","8.6476","0.0015","17.209","0.003","99.131","0.003","101.853","0.003","98.832","0.003","1139.7","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl4 Cu N2 O2 -","- C20 H22 Cl4 Cu N2 O2 -","- C40 H44 Cl8 Cu2 N4 O4 -","2","1","","Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi","Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations","Journal of Molecular Structure","2012","1013","0","102","110","10.1016/j.molstruc.2012.01.023","","","0.71073","MoKα","","0.1154","0.0967","","","0.2111","0.2207","","","","","","1.188","","","","has coordinates","176729","2020-10-21","18:00:00",""