# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T04:44:28+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 'ACS Macro Letters') AND volume = 3 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
"4517138","9.2693","0.0002","9.4061","0.0002","15.4687","0.0003","88.6025","0.0008","87.6725","0.0008","80.3371","0.0009","1328.24","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 Fe O2 P -","- C31 H33 Fe O2 P -","- C62 H66 Fe2 O4 P2 -","2","1","","Lanigan, Nicholas; Assoud, Abdeljalil; Wang, Xiaosong","Intermolecular Interactions of CpFePPh3(CO)CO(CH2)5CH3: From a Crystalline Solid to a Supramolecular “Iron-Truss” Polymer","ACS Macro Letters","2014","3","12","1281","","10.1021/mz5006603","","","0.71073","MoKα","","0.0588","0.0558","","","0.1123","0.1162","","","","","","1.133","","","","has coordinates","243459","2020-10-21","18:00:00",""
"4517139","41.3534","0.0006","64.6397","0.0009","8.1309","0.0001","90","","90","","90","","21734.5","0.5","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H31 Fe O2 P -","- C30 H31 Fe O2 P -","- C960 H992 Fe32 O64 P32 -","32","2","","Lanigan, Nicholas; Assoud, Abdeljalil; Wang, Xiaosong","Intermolecular Interactions of CpFePPh3(CO)CO(CH2)5CH3: From a Crystalline Solid to a Supramolecular “Iron-Truss” Polymer","ACS Macro Letters","2014","3","12","1281","","10.1021/mz5006603","","","0.71073","MoKα","","0.0813","0.0466","","","0.0755","0.079","","","","","","1.314","","","","has coordinates","243460","2020-10-21","18:00:00",""