# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-25T22:43:34+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 'Canadian Journal of Chemistry') AND volume = 98 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
"1559877","22.585","0.003","8.3154","0.001","17.9361","0.0018","90","","106.893","0.006","90","","3223.1","0.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-((5',5'''?-(4,4,9,9-Tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']- dithiophene-2,7-diyl)bis([2,2'-bithiophene]-5',5-diyl))- bis(methanylylidene))dimalononitrile","","- C72 H82 N4 S6 -","- C72 H82 N4 S6 -","- C144 H164 N8 S12 -","2","0.5","","Brunner, Pierre-Louis M.; Beaudoin, Daniel; Heskia, Alice; Maris, Thierry; Dubois, Marc-André; Wuest, James D.","Low-bandgap push–pull molecules in polymer matrices for use in thin-film organic photovoltaic devices","Canadian Journal of Chemistry","2020","98","","564","574","10.1139/cjc-2020-0081","","x-ray","1.54178","CuKα","","0.1143","0.0603","","","0.1439","0.175","","","","","","1.014","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559878","11.4541","0.0003","13.8929","0.0003","22.6243","0.0006","86.6407","0.0015","80.1601","0.0014","69.4562","0.0012","3321.66","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","2,2'-((5',5'''?-(6,6,12,12-Tetraoctyl-6,12-dihydroindeno[1,2-b]- fluorene-2,8-diyl)bis([2'',2'''-bithiophene]-5'',5'-diyl))bis- (methanylylidene))dimalononitrile","","- C76 H86 N4 S4 -","- C76 H86 N4 S4 -","- C152 H172 N8 S8 -","2","1","","Brunner, Pierre-Louis M.; Beaudoin, Daniel; Heskia, Alice; Maris, Thierry; Dubois, Marc-André; Wuest, James D.","Low-bandgap push–pull molecules in polymer matrices for use in thin-film organic photovoltaic devices","Canadian Journal of Chemistry","2020","98","","564","574","10.1139/cjc-2020-0081","","x-ray","1.54178","CuKα","","0.1137","0.0951","","","0.2893","0.3025","","","","","","1.073","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559879","25.6206","0.0005","6.7854","0.0001","9.7945","0.0002","90","","109.419","0.001","90","","1605.87","0.05","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(aqua)-bis(formato)-cobalt [3,3'-bipyridine]-6,6'(1H,1'H)-dione","","- C12 H18 Co N2 O10 -","- C12 H18 Co N2 O10 -","- C48 H72 Co4 N8 O40 -","4","0.5","","Mohan, Midhun; Rana, Love Karan; Maris, Thierry; Duong, Adam","Intercalated 2D+2D hydrogen-bonded sheets in co-crystals of cobalt salt with 1H,1'H-[3,3']bipyridinyl-6,6'-dione","Canadian Journal of Chemistry","2020","98","","347","351","10.1139/cjc-2019-0415","","x-ray","1.54178","CuKα","","0.0287","0.0253","","","0.0684","0.0712","","","","","","1.091","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""