# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T10:31:49+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 'Faraday discussions') AND volume = 174 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
"1516609","25.778","0.006","15.759","0.004","16.308","0.004","90","","105.245","0.004","90","","6392","3","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 F10 Ir N6 P -","- C28 H18 F10 Ir N6 P -","- C224 H144 F80 Ir8 N48 P8 -","8","1","","Henwood, Adam F.; Evariste, Sloane; Slawin, Alexandra M. Z.; Zysman-Colman, Eli","Rigid biimidazole ancillary ligands as an avenue to bright deep blue cationic iridium(iii) complexes.","Faraday discussions","2014","174","","165","182","10.1039/c4fd00107a","","","0.71075","MoKα","","0.0801","0.0701","","","0.1819","0.1947","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516610","9.1029","0.0017","12.8618","0.0015","15.38","0.003","69.58","0.03","88.64","0.04","71.81","0.03","1595.8","0.7","125","","125","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 F10 Ir N6 P -","- C36 H24 F10 Ir N6 P -","- C72 H48 F20 Ir2 N12 P2 -","2","1","","Henwood, Adam F.; Evariste, Sloane; Slawin, Alexandra M. Z.; Zysman-Colman, Eli","Rigid biimidazole ancillary ligands as an avenue to bright deep blue cationic iridium(iii) complexes.","Faraday discussions","2014","174","","165","182","10.1039/c4fd00107a","","","1.54187","CuKα","","","0.1357","","","","0.3805","","","","","","1.647","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1552966","6.9253","0.0002","13.3435","0.0004","18.5149","0.0006","88.562","0.0017","84.154","0.0019","76.656","0.0019","1656.07","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H33 N5 O4 S2 -","- C39 H33 N5 O4 S2 -","- C78 H66 N10 O8 S4 -","2","1","","Black, Hayden T.; Lin, Huaping; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular control of organic p/n-heterojunctions by complementary hydrogen bonding.","Faraday discussions","2014","174","","297","312","10.1039/c4fd00133h","","x-ray","1.54178","CuKα","","0.0769","0.0561","","","0.1505","0.1691","","","","","","1.009","","","","has coordinates,has disorder","232802","2020-10-21","18:00:00",""
"1552967","21.99561","0.00018","9.3758","0.00008","31.7046","0.0002","90","","106.046","0.0004","90","","6283.59","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 N5 O6 -","- C39 H33 N5 O6 -","- C312 H264 N40 O48 -","8","2","","Black, Hayden T.; Lin, Huaping; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular control of organic p/n-heterojunctions by complementary hydrogen bonding.","Faraday discussions","2014","174","","297","312","10.1039/c4fd00133h","","x-ray","1.54178","CuKα","","0.0796","0.0587","","","0.1599","0.1808","","","","","","1.036","","","","has coordinates,has disorder","232802","2020-10-21","18:00:00",""
"1552968","17.9367","0.0003","9.3501","0.0002","19.4676","0.0003","90","","112.562","0.0009","90","","3015.03","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 N5 O6 -","- C37 H27 N5 O6 -","- C148 H108 N20 O24 -","4","1","","Black, Hayden T.; Lin, Huaping; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular control of organic p/n-heterojunctions by complementary hydrogen bonding.","Faraday discussions","2014","174","","297","312","10.1039/c4fd00133h","","x-ray","1.54178","CuKα","","0.0515","0.0417","","","0.1094","0.118","","","","","","1.019","","","","has coordinates,has disorder","232802","2020-10-21","18:00:00",""