# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-30T23:17:22+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 'Proceedings of the National Academy of Sciences of the United States of America') AND volume = 110 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
"1548763","14.4394","0.0009","14.5514","0.0009","18.0485","0.0011","80.763","0.003","71.236","0.003","73.47","0.003","3432.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H55 Mn3 N8 O15 Sr -","- C69 H55 Mn3 N8 O15 Sr -","- C138 H110 Mn6 N16 O30 Sr2 -","2","1","","Emily Y. Tsui; Theodor Agapie","Reduction potentials of heterometallic manganese-oxido cubane complexes modulated by redox-inactive metals","Proceedings of the National Academy of Sciences of the United States of America","2013","110","","10084","10088","10.1073/pnas.1302677110","","","0.71073","MoKα","","0.1165","0.0668","","","0.1569","0.1691","","","","","","1.186","","","","has coordinates,has disorder","205537","2020-10-21","18:00:00",""
"1548764","13.5517","0.0007","15.2198","0.0008","16.9998","0.0008","70.865","0.002","81.612","0.002","82.158","0.003","3262.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H54 Mn3 N6 O13 Zn -","- C69 H54 Mn3 N6 O13 Zn -","- C138 H108 Mn6 N12 O26 Zn2 -","2","1","","Emily Y. Tsui; Theodor Agapie","Reduction potentials of heterometallic manganese-oxido cubane complexes modulated by redox-inactive metals","Proceedings of the National Academy of Sciences of the United States of America","2013","110","","10084","10088","10.1073/pnas.1302677110","","","0.71073","MoKα","","0.0721","0.0433","","","0.1053","0.1133","","","","","","1.046","","","","has coordinates","205538","2020-10-21","18:00:00",""
"1548765","12.9611","0.0006","14.9934","0.0007","19.8287","0.0009","84.492","0.002","82.07","0.002","87.566","0.002","3797.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H76 F3 Mn3 N10 O20 S Y -","- C76 H76 F3 Mn3 N10 O20 S Y -","- C152 H152 F6 Mn6 N20 O40 S2 Y2 -","2","1","","Emily Y. Tsui; Theodor Agapie","Reduction potentials of heterometallic manganese-oxido cubane complexes modulated by redox-inactive metals","Proceedings of the National Academy of Sciences of the United States of America","2013","110","","10084","10088","10.1073/pnas.1302677110","","","0.71073","MoKα","","0.0939","0.0536","","","0.125","0.1374","","","","","","1.237","","","","has coordinates","205539","2020-10-21","18:00:00",""
"1548766","13.8808","0.0006","14.6307","0.0006","14.8415","0.0006","84.969","0.002","82.052","0.002","78.193","0.002","2916.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H55 Mn3 N7 O15 Sc -","- C66 H55 Mn3 N7 O15 Sc -","- C132 H110 Mn6 N14 O30 Sc2 -","2","1","","Emily Y. Tsui; Theodor Agapie","Reduction potentials of heterometallic manganese-oxido cubane complexes modulated by redox-inactive metals","Proceedings of the National Academy of Sciences of the United States of America","2013","110","","10084","10088","10.1073/pnas.1302677110","","","0.71073","MoKα","","0.1017","0.0511","","","0.071","0.0757","","","","","","1.542","","","","has coordinates","205541","2020-10-21","18:00:00",""