# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-06-23T18:51:14+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 'Faraday discussions') AND volume = 196 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
"1543715","10.0233","0.0006","7.3836","0.0005","20.4729","0.0013","90","","93.2347","0.0019","90","","1512.75","0.17","296","0.2","296","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4-Isocyano-4'-propoxy-1,1'-biphenyl)gold(I) chloride","","- C16 H15 Au Cl N O -","- C16 H15 Au Cl N O -","- C64 H60 Au4 Cl4 N4 O4 -","4","1","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.0434","0.0401","","","0.1003","0.1029","","","","","","0.994","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543716","10.2724","0.0005","13.7308","0.0007","14.1704","0.0007","61.476","0.001","71","0.002","69.885","0.002","1617.15","0.14","296","0.2","296","0.2","","","","","","","","6","P -1","-P 1","2","","(4-Butoxy-4'-isocyano-1,1'-biphenyl)gold(I) chloride","","- C17 H17 Au Cl N O -","- C17 H17 Au Cl N O -","- C68 H68 Au4 Cl4 N4 O4 -","4","2","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.0461","0.036","","","0.1124","0.1207","","","","","","1.109","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543717","35.545","0.009","7.0033","0.0017","6.8729","0.0016","90","","92.118","0.005","90","","1709.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4-Isocyano-4'-pentyloxy-1,1'-biphenyl)gold(I) chloride","","- C18 H19 Au Cl N O -","- C18 H19 Au Cl N O -","- C72 H76 Au4 Cl4 N4 O4 -","4","1","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.0777","0.0531","","","0.1613","0.1811","","","","","","1.077","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543718","76.128","0.014","7.0364","0.0013","6.8648","0.0012","90","","91.305","0.004","90","","3676.3","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4-Hexyloxy-4'-isocyano-1,1'-biphenyl)gold(I) chloride","","- C19 H21 Au Cl N O -","- C19 H21 Au Cl N O -","- C152 H168 Au8 Cl8 N8 O8 -","8","1","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.1637","0.0864","","","0.2309","0.2748","","","","","","1.076","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543719","78.931","0.009","7.0341","0.0008","6.8739","0.0008","90","","91.828","0.003","90","","3814.5","0.8","296","0.2","296","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4-Heptyloxy-4'-isocyano-1,1'-biphenyl)gold(I) chloride","","- C20 H23 Au Cl N O -","- C20 H23 Au Cl N O -","- C160 H184 Au8 Cl8 N8 O8 -","8","1","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.0795","0.046","","","0.1402","0.1693","","","","","","0.897","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543720","42.33","0.02","7.082","0.003","6.912","0.003","90","","91.738","0.009","90","","2071.1","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(4-Isocyano-4'-octyloxy-1,1'-biphenyl)gold(I) chloride","","- C21 H25 Au Cl N O -","- C21 H25 Au Cl N O -","- C84 H100 Au4 Cl4 N4 O4 -","4","1","","Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu","Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.","Faraday discussions","2017","196","","269","283","10.1039/c6fd00157b","","","0.71073","MoKα","","0.1102","0.0727","","","0.1992","0.2207","","","","","","1.143","","","","has coordinates","193857","2020-10-21","18:00:00",""
"1543731","10.8613","0.0006","13.0319","0.0007","26.5818","0.0015","89.75","0.0009","82.163","0.0009","72.238","0.0009","3546.9","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","1,1-Dicyano-2-(4-pyrrolidinephenyl)ethylene","","- C14 H13 N3 -","- C14 H13 N3 -","- C168 H156 N36 -","12","6","","Nitti, Andrea; Villafiorita-Monteleone, Francesca; Pacini, Aurora; Botta, Chiara; Virgili, Tersilla; Forni, Alessandra; Cariati, Elena; Boiocchi, Massimo; Pasini, Dario","Structure-activity relationship for the solid state emission of a new family of ""push-pull""π-extended chromophores.","Faraday discussions","2017","196","","143","161","10.1039/c6fd00161k","","","0.71073","MoKα","","0.0872","0.0642","","","0.1649","0.1794","","","","","","1.071","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543732","17.518","0.004","8.6661","0.0015","10.772","0.003","90","","110.164","0.005","90","","1535.1","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1-Dicyano-2,2-bis(4-dimethoxyphenyl)ethylene","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","0.5","","Nitti, Andrea; Villafiorita-Monteleone, Francesca; Pacini, Aurora; Botta, Chiara; Virgili, Tersilla; Forni, Alessandra; Cariati, Elena; Boiocchi, Massimo; Pasini, Dario","Structure-activity relationship for the solid state emission of a new family of ""push-pull""π-extended chromophores.","Faraday discussions","2017","196","","143","161","10.1039/c6fd00161k","","","0.71073","MoKα","","0.0882","0.0491","","","0.1127","0.1323","","","","","","1.007","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543746","6.3523","0.0002","8.0207","0.0002","16.3894","0.0004","92.3795","0.0018","95.9413","0.0018","110.114","0.0017","777.24","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H40 B2 O4 -","- C35 H40 B2 O4 -","- C35 H40 B2 O4 -","1","0.5","","Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric","Probing the nature of peripheral boryl groups within luminescent tellurophenes.","Faraday discussions","2017","196","","255","268","10.1039/c6fd00172f","","","1.54178","CuKα","","0.074","0.0605","","","0.1701","0.1826","","","","","","1.046","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543747","18.8131","0.0003","11.1794","0.0002","26.4236","0.0005","90","","93.0441","0.0006","90","","5549.55","0.17","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H92 B2 N4 O6 Te -","- C50 H92 B2 N4 O6 Te -","- C200 H368 B8 N16 O24 Te4 -","4","0.5","","Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric","Probing the nature of peripheral boryl groups within luminescent tellurophenes.","Faraday discussions","2017","196","","255","268","10.1039/c6fd00172f","","","1.54178","CuKα","","0.0214","0.0212","","","0.0559","0.056","","","","","","1.089","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543748","10.3086","0.0002","15.0795","0.0003","21.3795","0.0004","90","","93.2679","0.0007","90","","3318.01","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 B2 N2 O4 Te -","- C31 H52 B2 N2 O4 Te -","- C124 H208 B8 N8 O16 Te4 -","4","1","","Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric","Probing the nature of peripheral boryl groups within luminescent tellurophenes.","Faraday discussions","2017","196","","255","268","10.1039/c6fd00172f","","","1.54178","CuKα","","0.0266","0.0261","","","0.0665","0.0668","","","","","","1.062","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543754","46.53","0.009","6.7629","0.0014","7.2639","0.0015","90","","97.22","0.03","90","","2267.7","0.8","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(2Z, 2'Z)-3,3'-(1,4-phenylene)bis(2-(naphthalen-2-yl) acrylonitrile","PBNA","","- C32 H20 N2 -","- C32 H20 N2 -","- C128 H80 N8 -","4","0.5","","Liu, Liqun; Wang, Kai; Deng, Jian; Zhang, Zhe; Wang, Yan; Ma, Yuguang","Restorable piezochromism phenomenon in an AIE molecular crystal: combined synchronous Raman scattering.","Faraday discussions","2017","196","","415","426","10.1039/c6fd00154h","","","0.71073","MoKα","","0.0868","0.0512","","","0.1285","0.143","","","","","","0.949","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543879","8.6902","0.0017","13.87","0.003","17.377","0.004","90","","102.8","0.03","90","","2042.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4FI-1","BP4VA FI-1","","- C20 H10 F3 I3 N -","- C20 H10 F3 I3 N -","- C80 H40 F12 I12 N4 -","4","1","","Liu, Yingjie; Ma, Suqian; Xu, Bin; Tian, Wenjing","Construction and function of a highly efficient supramolecular luminescent system.","Faraday discussions","2017","196","","219","229","10.1039/c6fd00166a","","","0.71073","MoKα","","0.0646","0.0462","","","0.1237","0.1414","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543880","5.142","0.001","12.724","0.003","16.436","0.003","109.15","0.03","96","0.03","93.79","0.03","1004.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4FI-2","BP4VA FI-2","","- C40 H20 F6 I6 N2 -","- C40 H20 F6 I6 N2 -","- C40 H20 F6 I6 N2 -","1","0.5","","Liu, Yingjie; Ma, Suqian; Xu, Bin; Tian, Wenjing","Construction and function of a highly efficient supramolecular luminescent system.","Faraday discussions","2017","196","","219","229","10.1039/c6fd00166a","","","0.71073","MoKα","","0.0447","0.0354","","","0.0787","0.0815","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543895","10.531","0.0011","15.6321","0.0015","13.7351","0.0018","90","","94.071","0.01","90","","2255.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C96 H96 N16 O24 -","8","2","","Gupta, Vinod Kumar; Singh, Ram Adhar","Aggregation-induced enhanced green light emission from a simple donor-π-acceptor (D-π-A) material: a structure-property relationship study.","Faraday discussions","2017","196","","131","142","10.1039/c6fd00158k","","","0.71073","MoKα","","0.1469","0.0818","","","0.2164","0.2624","","","","","","0.981","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543896","3.9225","0.0003","10.7762","0.0009","23.142","0.002","90","","93.453","0.007","90","","976.43","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","","Gupta, Vinod Kumar; Singh, Ram Adhar","Aggregation-induced enhanced green light emission from a simple donor-π-acceptor (D-π-A) material: a structure-property relationship study.","Faraday discussions","2017","196","","131","142","10.1039/c6fd00158k","","","0.71073","MoKα","","0.0796","0.0466","","","0.1021","0.1223","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:48",""