# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T16:00:29+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 letters') AND volume = 6 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
"8000214","14.1274","0.0003","7.4879","0.0001","24.8944","0.0018","90","","97.826","0.007","90","","2608.9","0.2","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H46 S6 -","- C68 H46 S6 -","- C136 H92 S12 -","2","0.5","","Ie, Yutaka; Tanaka, Kazunari; Tashiro, Aya; Lee, See Kei; Testai, Henrique Rosa; Yamada, Ryo; Tada, Hirokazu; Aso, Yoshio","Thiophene-based Tripodal Anchor Units for Hole Transport in Single-Molecule Junctions with Gold Electrodes.","The journal of physical chemistry letters","2015","6","18","3754","3759","10.1021/acs.jpclett.5b01662","","","1.54187","CuKα","","0.0848","0.0714","","","0.208","0.2204","","","","","","1.044","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8000348","18.8585","0.0007","22.2711","0.0008","29.2473","0.0012","96.472","0.002","106.952","0.003","111.124","0.003","10629","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C192 H216 Ag3.96 Au34.04 S24 -","- C192 H216 Ag3.96 Au34.04 S24 -","- C384 H432 Ag7.92 Au68.08 S48 -","2","1","","Kumara, Chanaka; Gagnon, Kevin J.; Dass, Amala","X-ray Crystal Structure of Au38-xAgx(SCH2CH2Ph)24 Alloy Nanomolecules.","The journal of physical chemistry letters","2015","6","7","1223","1228","10.1021/acs.jpclett.5b00270","","","0.7749","synchrotron","","0.0979","0.0492","","","0.0968","0.1125","","","","","","1.014","","","","has coordinates,has disorder","236640","2020-10-21","18:00:00",""