# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-09T17:49:45+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 'Catalysts') 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",""
"1542397","13.9192","0.0008","13.7516","0.0007","21.5005","0.0012","90","","103.466","0.001","90","","4002.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 N8 O12 Zn -","- C44 H30 N8 O12 Zn -","- C176 H120 N32 O48 Zn4 -","4","1","","Lephoto, Mapudumo; Nakano, Koji; Appavoo, Divambal; Owaga, Bernard; Nozaki, Kyoko; Darkwa, James","Pyrazole Supported Zinc(II) Benzoates as Catalysts for the Ring Opening Copolymerization of Cyclohexene Oxide and Carbon Dioxide","Catalysts","2016","6","1","17","","10.3390/catal6010017","","","0.71073","MoKα","","0.0656","0.0402","","","0.0838","0.0947","","","","","","1.03","","","","has coordinates","175829","2020-10-21","18:00:00",""
"1565581","11.0895","0.0003","18.9868","0.0005","34.9643","0.001","90","","90.0597","0.001","90","","7361.9","0.3","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 B9 Cl3 P2 Ru -","- C33 H41 B9 Cl3 P2 Ru -","- C264 H328 B72 Cl24 P16 Ru8 -","8","2","","Grishin, Ivan D.; Zimina, Anastasiya M.; Anufriev, Sergey A.; Knyazeva, Nadezhda A.; Piskunov, Alexander V.; Dolgushin, Fedor M.; Sivaev, Igor B.","Synthesis and Catalytic Properties of Novel Ruthenacarboranes Based on nido-[5-Me-7,8-C2B9H10]2− and nido-[5,6-Me2-7,8-C2B9H9]2− Dicarbollide Ligands","Catalysts","2021","11","11","1409","","10.3390/catal11111409","","","0.71073","MoKα","","0.0731","0.0474","","","0.0963","0.1088","","","","","","1.029","","","","has coordinates,has disorder","271240","2021-12-07","11:27:18",""
"1565582","16.8803","0.001","20.5774","0.0012","20.9312","0.0012","90","","106.242","0.002","90","","6980.3","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 B9 Cl P2 Ru -","- C32 H44 B9 Cl P2 Ru -","- C256 H352 B72 Cl8 P16 Ru8 -","8","2","","Grishin, Ivan D.; Zimina, Anastasiya M.; Anufriev, Sergey A.; Knyazeva, Nadezhda A.; Piskunov, Alexander V.; Dolgushin, Fedor M.; Sivaev, Igor B.","Synthesis and Catalytic Properties of Novel Ruthenacarboranes Based on nido-[5-Me-7,8-C2B9H10]2− and nido-[5,6-Me2-7,8-C2B9H9]2− Dicarbollide Ligands","Catalysts","2021","11","11","1409","","10.3390/catal11111409","","","0.71073","MoKα","","0.0769","0.0419","","","0.0774","0.0918","","","","","","1.024","","","","has coordinates,has disorder","271241","2021-12-07","11:28:57",""
"1565583","13.9369","0.0018","12.4716","0.0016","20.085","0.003","90","","93.786","0.004","90","","3483.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 B9 Cl P2 Ru -","- C32 H41 B9 Cl P2 Ru -","- C128 H164 B36 Cl4 P8 Ru4 -","4","1","","Grishin, Ivan D.; Zimina, Anastasiya M.; Anufriev, Sergey A.; Knyazeva, Nadezhda A.; Piskunov, Alexander V.; Dolgushin, Fedor M.; Sivaev, Igor B.","Synthesis and Catalytic Properties of Novel Ruthenacarboranes Based on nido-[5-Me-7,8-C2B9H10]2− and nido-[5,6-Me2-7,8-C2B9H9]2− Dicarbollide Ligands","Catalysts","2021","11","11","1409","","10.3390/catal11111409","","","0.71073","MoKα","","0.0715","0.057","","","0.0943","0.0985","","","","","","1.177","","","","has coordinates,has disorder","271242","2021-12-07","11:29:51",""
"1568580","8.916","0.0007","11.0941","0.001","12.5663","0.001","94.783","0.003","103.724","0.003","107.064","0.003","1138.58","0.17","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1098","0.0609","","","0.1266","0.1406","","","","","","1.002","","","","has coordinates","281625","2023-03-05","01:55:59",""
"1568581","17.4954","0.0015","23.7716","0.0018","26.188","0.002","90","","90","","90","","10891.4","1.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H52 B Cl2 Cu F4 N2 P2 -","- C63 H52 B Cl2 Cu F4 N2 P2 -","- C504 H416 B8 Cl16 Cu8 F32 N16 P16 -","8","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.0948","0.0581","","","0.1464","0.1617","","","","","","1.048","","","","has coordinates","281625","2023-03-05","01:56:10",""
"1568582","15.2564","0.001","16.0253","0.0011","23.0757","0.0015","90.355","0.003","93.137","0.003","98.235","0.003","5574.6","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H50 Cu F3 N2 O3 P2 S -","- C63 H50 Cu F3 N2 O3 P2 S -","- C252 H200 Cu4 F12 N8 O12 P8 S4 -","4","2","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1369","0.0788","","","0.2088","0.2374","","","","","","1.047","","","","has coordinates","281625","2023-03-05","01:56:14",""
"1568583","16.7053","0.0012","14.7608","0.0011","22.8229","0.0017","90","","95.361","0.002","90","","5603.1","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H51 Cl3 Cu N3 O3 P2 -","- C63 H51 Cl3 Cu N3 O3 P2 -","- C252 H204 Cl12 Cu4 N12 O12 P8 -","4","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1452","0.0728","","","0.1987","0.2296","","","","","","1.093","","","","has coordinates","281625","2023-03-05","01:56:14",""
"1568584","17.979","0.003","24.99","0.004","27.167","0.004","90","","90","","90","","12206","3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C67 H59 Cl3 Cu N3 O3 P2 -","- C67 H59 Cl3 Cu N3 O3 P2 -","- C536 H472 Cl24 Cu8 N24 O24 P16 -","8","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1042","0.0638","","","0.1608","0.1818","","","","","","1.056","","","","has coordinates","281625","2023-03-05","01:56:16",""
"1568585","13.2253","0.0004","13.2253","0.0004","40.325","0.0019","90","","90","","90","","7053.2","0.4","296","2","296","2","","","","","","","","7","P 41","P 4w","76","","","","- C69 H61 Cl9 Cu N3 O3 P2 -","- C69 H61 Cl9 Cu N3 O3 P2 -","- C276 H244 Cl36 Cu4 N12 O12 P8 -","4","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.0778","0.0611","","","0.1616","0.17","","","","","","0.997","","","","has coordinates","281625","2023-03-05","01:56:17",""
"1569623","74.59","0.005","74.59","0.005","74.59","0.005","90","","90","","90","","414994","5","100","2","100","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C70 H126 Cl4 In10 N20 S16 -","- Cl4 In10 S16 -","- Cl544 In1360 S2176 -","136","0.708333","","Yin, Haiyan; Liu, Yifan; Ablez, Abdusalam; Wang, Yanqi; Hu, Qianqian; Huang, Xiaoying","Dispersible Supertetrahedral Chalcogenide T3 Clusters: Photocatalytic Activity and Photogenerated Carrier Dynamics","Catalysts","2023","13","8","1160","","10.3390/catal13081160","","","0.71073","MoKα","","0.1199","0.0583","","","0.1671","0.2015","","","","","","1.012","","","","has coordinates","285540","2023-08-05","15:16:39",""