# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T16:45:34+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 'Catalysts') 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
"1540626","10.0435","0.0008","10.3143","0.0008","12.8862","0.0011","74.5019","0.0014","87.313","0.0014","78.6415","0.0014","1261.15","0.18","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H78 Mo N2 O2 -","- C54 H78 Mo N2 O2 -","- C54 H78 Mo N2 O2 -","1","1","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.6861","synchrotron","","0.0381","0.0376","","","0.0934","0.0938","","","","","","1.015","","","","has coordinates","170836","2020-10-21","18:00:00",""
"1540627","11.7691","0.0007","14.1045","0.0009","18.0657","0.0012","83.543","0.005","81.066","0.005","74.829","0.005","2851.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H82 Cl2 Mo N2 O2 -","- C60 H82 Cl2 Mo N2 O2 -","- C120 H164 Cl4 Mo2 N4 O4 -","2","1","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.0563","0.0401","","","0.0938","0.0968","","","","","","0.912","","","","has coordinates,has disorder","170836","2020-10-21","18:00:00",""
"1540628","14.2727","0.0008","15.4944","0.0008","18.0242","0.001","90","","98.4505","0.001","90","","3942.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H106 F10 Mo2 N4 O4 -","- C80 H106 F10 Mo2 N4 O4 -","- C160 H212 F20 Mo4 N8 O8 -","2","0.5","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.0853","0.0442","","","0.095","0.1097","","","","","","1.028","","","","has coordinates,has disorder","170836","2020-10-21","18:00:00",""
"1540629","13.0178","0.0008","13.4853","0.0008","16.9177","0.001","106.113","0.001","96.4972","0.001","92.7062","0.001","2825.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H158 Mo2 N10 O8 -","- C114 H158 Mo2 N10 O8 -","- C114 H158 Mo2 N10 O8 -","1","0.5","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.0643","0.0432","","","0.0969","0.1074","","","","","","1.035","","","","has coordinates,has disorder","170836","2020-10-21","18:00:00",""
"1540630","40.815","0.003","17.0938","0.0011","16.3488","0.0011","90","","94.82","0.001","90","","11365.9","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C124 H182 Mo2 N4 O4 -","- C112 H154 Mo2 N4 O4 -","- C448 H616 Mo8 N16 O16 -","4","0.5","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.0619","0.0437","","","0.1154","0.1258","","","","","","1.024","","","","has coordinates","170836","2020-10-21","18:00:00",""
"1540631","18.7522","0.001","22.6704","0.0012","25.8469","0.0018","79.933","0.006","81.162","0.006","81.434","0.006","10605.9","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H140 F10 Mo2 N8 O8 -","- C99 H132.5 F10 Mo2 N5.5 O8 -","- C396 H530 F40 Mo8 N22 O32 -","4","2","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.1886","0.0839","","","0.1769","0.2123","","","","","","0.861","","","","has coordinates,has disorder","170836","2020-10-21","18:00:00",""
"1540632","10.0491","0.001","10.6022","0.0011","15.6133","0.0019","92.902","0.009","90.577","0.009","112.932","0.008","1529.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Cl2 Mo N2 O2 -","- C28 H44 Cl2 Mo N2 O2 -","- C56 H88 Cl4 Mo2 N4 O4 -","2","1","","Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl","Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability","Catalysts","2015","5","4","1928","","10.3390/catal5041928","","","0.71073","MoKα","","0.1214","0.0626","","","0.1356","0.1556","","","","","","0.893","","","","has coordinates","170836","2020-10-21","18:00:00",""