# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T04:22:20+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 'The journal of physical chemistry. A') AND volume = 124 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
"1558539","16.136","0.0011","19.7871","0.0013","23.2458","0.0014","76.706","0.003","73.016","0.003","80.103","0.003","6864.3","0.8","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H112 Au8 Fe4 P8 -","- C136 H112 Au8 Fe4 P8 -","- C272 H224 Au16 Fe8 P16 -","2","1","","Li, Shuo Hao; Liu, Xu; Hu, Weigang; Chen, Mingyang; Zhu, Yan","An Au<sub>8</sub> Cluster Fortified by Four Ferrocenes.","The journal of physical chemistry. A","2020","124","29","6061","6067","10.1021/acs.jpca.0c03366","","","1.34139","GaKα","","0.0882","0.0675","","","0.1844","0.2014","","","","","","1.076","","","","has coordinates","254781","2020-10-21","18:00:00",""
"1559497","13.5433","0.0006","14.4891","0.0007","20.497","0.0009","90","","105.986","0.002","90","","3866.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H44 B F2 N3 -","- C47 H44 B F2 N3 -","- C188 H176 B4 F8 N12 -","4","1","","Gangada, Suneel; Ramnagar, Ramya Athira; Sangolkar, Akanksha Ashok; Pawar, Ravinder; Nanubolu, Jagadeesh Babu; Roy, Partha; Giribabu, Lingamallu; Chitta, Raghu","Excitation-Wavelength-Dependent Light-Induced Electron Transfer and Twisted Intramolecular Charge Transfer in <i>N</i>,<i>N</i>-Bis(4'-<i>tert</i>-butylbiphenyl-4-yl)aniline Functionalized Borondipyrromethenes.","The journal of physical chemistry. A","2020","124","47","9738","9750","10.1021/acs.jpca.0c04789","","","0.71073","MoKα","","0.1014","0.062","","","0.1716","0.1945","","","","","","1.196","","","","has coordinates,has disorder","259529","2020-12-04","02:29:35",""
"1559699","19.9382","0.0003","18.4554","0.0003","44.8986","0.0009","90","","92.964","0.002","90","","16499.1","0.5","225","2","225","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C243 H236 Ga32 N32 Na4 Nd4 O139 -","- C243 H236 Ga32 N32 Na4 Nd4 O139 -","- C486 H472 Ga64 N64 Na8 Nd8 O278 -","2","0.5","","Salerno, Elvin V.; Eliseeva, Svetlana V.; Schneider, Bernadette L.; Kampf, Jeff W.; Petoud, Stéphane; Pecoraro, Vincent L.","Visible, Near-Infrared, and Dual-Range Luminescence Spanning the 4f Series Sensitized by a Gallium(III)/Lanthanide(III) Metallacrown Structure.","The journal of physical chemistry. A","2020","124","50","10550","10564","10.1021/acs.jpca.0c08819","","","1.54178","CuKα","","0.1176","0.1084","","","0.3255","0.3343","","","","","","1.16","","","","has coordinates,has disorder","260434","2021-01-04","03:21:32",""