# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T11:53:20+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 'The journal of physical chemistry. C, Nanomaterials and interfaces') AND volume = 118 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
"1517738","15.291","0.0014","15.0222","0.0014","32.525","0.003","90","","90","","90","","7471.1","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Z3","","","- C44 H50 N4 Zn -","- C44 H50 N4 Zn -","- C352 H400 N32 Zn8 -","8","1","","Trinh, Cong; Kirlikovali, Kent; Das, Saptaparna; Ener, Maraia E.; Gray, Harry B.; Djurovich, Peter; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer of Visible Light Absorbing Systems: Zinc Dipyrrins.","The journal of physical chemistry. C, Nanomaterials and interfaces","2014","118","38","21834","21845","10.1021/jp506855t","","","0.71073","MoKα","","0.0546","0.0368","","","0.0851","0.095","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517739","14.1571","0.0008","12.7265","0.0007","25.3289","0.0014","90","","90.301","0.001","90","","4563.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ZIPYMe2Et","","","- C52 H66 N4 Zn -","- C52 H66 N4 Zn -","- C208 H264 N16 Zn4 -","4","1","","Trinh, Cong; Kirlikovali, Kent; Das, Saptaparna; Ener, Maraia E.; Gray, Harry B.; Djurovich, Peter; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer of Visible Light Absorbing Systems: Zinc Dipyrrins.","The journal of physical chemistry. C, Nanomaterials and interfaces","2014","118","38","21834","21845","10.1021/jp506855t","","","0.71073","MoKα","","0.0631","0.0408","","","0.1011","0.1122","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517740","13.958","0.003","15.459","0.003","16.517","0.003","66.687","0.002","74.418","0.002","78.087","0.003","3132.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Z5","","","- C31.5 H41 Cl N2 O2 Zn -","- C31.5 H41 Cl N2 O2 Zn -","- C126 H164 Cl4 N8 O8 Zn4 -","4","2","","Trinh, Cong; Kirlikovali, Kent; Das, Saptaparna; Ener, Maraia E.; Gray, Harry B.; Djurovich, Peter; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer of Visible Light Absorbing Systems: Zinc Dipyrrins.","The journal of physical chemistry. C, Nanomaterials and interfaces","2014","118","38","21834","21845","10.1021/jp506855t","","","0.71073","MoKα","","0.0933","0.0665","","","0.1458","0.1717","","","","","","1.133","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1517741","13.858","0.0005","17.1278","0.0006","14.581","0.0007","90","","116.754","0.001","90","","3090.4","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ZnmesDPMe2tBu","","","- C33 H44 N2 O2 Zn -","- C33 H44 N2 O2 Zn -","- C132 H176 N8 O8 Zn4 -","4","0.5","","Trinh, Cong; Kirlikovali, Kent; Das, Saptaparna; Ener, Maraia E.; Gray, Harry B.; Djurovich, Peter; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer of Visible Light Absorbing Systems: Zinc Dipyrrins.","The journal of physical chemistry. C, Nanomaterials and interfaces","2014","118","38","21834","21845","10.1021/jp506855t","","","0.71073","MoKα","","0.0437","0.0318","","","0.0753","0.0801","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""