# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-30T23:46:38+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 'ACS Applied Energy Materials') AND volume = 5 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
"4519435","17.4712","0.0005","11.0286","0.0003","17.8449","0.0005","90","","111.32","0.001","90","","3203.1","0.16","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl2 Co N22 O8 -","- C22 H22 Cl2 Co N22 O8 -","- C88 H88 Cl8 Co4 N88 O32 -","4","1","","Khaoula Chair; Cesar Augusto Luna Caceres; Sanil Rajak; Olivier Schott; Gustavo E. Ramírez-Caballero; Thierry Maris; Garry S. Hanan; Adam Duong","Photocatalytic Carbon Dioxide Reduction and Density Functional Theory Investigation of 2,6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine and Its Cobalt and Nickel Complexes","ACS Applied Energy Materials","2022","5","","11077","11090","10.1021/acsaem.2c01702","","x-ray","1.34139","GaKα","","0.0437","0.0396","","","0.1027","0.1064","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","280036","2022-12-24","20:12:02",""
"4519436","18.678","0.0008","10.7344","0.0004","16.0745","0.0007","90","","98.829","0.001","90","","3184.7","0.2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cl2 N22 Ni O8 -","- C22 H22 Cl2 N22 Ni O8 -","- C88 H88 Cl8 N88 Ni4 O32 -","4","0.5","","Khaoula Chair; Cesar Augusto Luna Caceres; Sanil Rajak; Olivier Schott; Gustavo E. Ramírez-Caballero; Thierry Maris; Garry S. Hanan; Adam Duong","Photocatalytic Carbon Dioxide Reduction and Density Functional Theory Investigation of 2,6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine and Its Cobalt and Nickel Complexes","ACS Applied Energy Materials","2022","5","","11077","11090","10.1021/acsaem.2c01702","","x-ray","1.34139","GaKα","","0.0488","0.0487","","","0.1266","0.1268","","","","","","1.105","","","","has coordinates,has Fobs","280037","2022-12-24","20:12:15",""