# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-18T14:46:38+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 'Organometallics') AND volume = 15 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
"4063227","40.632","0.006","13.943","0.003","23.645","0.005","90","","92.42","0.015","90","","13383.7","4.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C560 H712 Cl16 O64 P16 Rh8 -","- C560 H712 Cl16 O64 P16 Rh8 -","- C560 H712 Cl16 O64 P16 Rh8 -","1","0.125","","Annemiek van Rooy; Paul C. J. Kamer; Piet W. N. M. van Leeuwen; Kees Goubitz; Jan Fraanje; Nora Veldman; Anthony L. Spek","Bulky Diphosphite-Modified Rhodium Catalysts: Hydroformylation and Characterization","Organometallics","1996","15","2","835","847","10.1021/om950549k","","","0.71073","MoKα","","0.1877","0.0815","","0.1643","0.1374","","","","0.935","1.169","1.169","","","","","has coordinates,has disorder","134621","2020-10-21","18:00:00",""
"4078324","8.936","0.001","9.0223","0.001","11.5637","0.001","103.165","0.011","101.212","0.01","97.836","0.01","874.41","0.17","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 F6 N4 O8 Pt2 S2 -","- C26 H42 F6 N4 O8 Pt2 S2 -","- C26 H42 F6 N4 O8 Pt2 S2 -","1","0.5","","Schmülling, Michael; Grove, David M.; van Koten, Gerard; van Eldik, Rudi; Veldman, Nora; Spek, A. L.","Comparative Rates of Ligand Substitution Reactions of Pt−C-Bonded Complexes in Aqueous Solution and the X-ray Crystal Structure of [Pt{C6H3(CH2NMe2)2-2,6}(OH2)][OSO2CF3]","Organometallics","1996","15","5","1384","","10.1021/om950474k","","","0.71073","MoKα","","","0","","0","","","","","0","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078328","11.1652","0.0004","11.1652","0.0004","8.0783","0.0004","90","","90","","90","","1007.05","0.07","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C18 H30 N4 Rh2 -","- C18 H30 N4 Rh2 -","- C36 H60 N8 Rh4 -","2","0.25","","Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A.","Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes","Organometallics","1996","15","13","2967","","10.1021/om960005y","","","0.71073","MoKα","","0.0157","0.0148","","0.0423","0.0395","","","","1.07","1.073","1.073","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078329","11.3552","0.0014","11.237","0.0011","25.185","0.004","90","","90.403","0.013","90","","3213.5","0.7","233","2","233","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 N8 Rh2 -","- C26 H24 N8 Rh2 -","- C104 H96 N32 Rh8 -","4","1","","Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A.","Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes","Organometallics","1996","15","13","2967","","10.1021/om960005y","","","0.71073","MoKα","","0.045","0.034","","0.1011","0.0914","","","","1.062","1.065","1.065","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078330","17.367","0.003","9.993","0.002","16.344","0.003","90","","97.76","0.01","90","","2810.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N6 Rh2 -","- C24 H18 N6 Rh2 -","- C96 H72 N24 Rh8 -","4","1","","Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A.","Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes","Organometallics","1996","15","13","2967","","10.1021/om960005y","","","0.71073","MoKα","","0.1529","0.0565","","0.1458","0.1116","","","","1.009","1.121","1.121","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078331","6.7455","0.0006","16.1596","0.0013","12.9502","0.0009","90","","90","","90","","1411.6","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H6 N4 O4 Rh2 -","- C10 H6 N4 O4 Rh2 -","- C40 H24 N16 O16 Rh8 -","4","0.5","","Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A.","Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes","Organometallics","1996","15","13","2967","","10.1021/om960005y","","","0.71073","MoKα","","0.0381","0.0187","","0.0411","0.0379","","","","0.861","1.033","1.033","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078332","12.945","0.003","9.219","0.004","13.661","0.004","90","","93.96","0.02","90","","1626.4","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 Pb Si2 -","- C30 H54 Pb Si2 -","- C60 H108 Pb2 Si4 -","2","0.5","","Constantine, Steven P.; Hitchcock, Peter B.; Lawless, Gerard A.","Synthesis, Characterization, and Molecular Structure of Bis{(tert-butyldimethylsilyl)- tetramethylcyclopentadienyl}lead","Organometallics","1996","15","19","3905","","10.1021/om960511n","","","0.71073","MoKα","","0.074","0.0441","","0.1043","0.0954","","","","1.221","1.344","1.344","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078333","9.307","0.001","16.19","0.002","13.955","0.001","90","","96.35","0.01","90","","2089.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Mo2 O7 Ru -","- C20 H14 Mo2 O7 Ru -","- C80 H56 Mo8 O28 Ru4 -","4","1","","Adams, Harry; Gill, Louise J.; Morris, Michael J.","Rearrangement and Scission of Terminal Alkynes in Dimolybdenum Complexes on Reaction with Ruthenium Carbonyl: Formation of Trinuclear Vinylidene and Hexanuclear Bis(alkylidyne) Clusters","Organometallics","1996","15","20","4182","","10.1021/om960235c","","","0.71073","MoKα","","0.0498","0.0476","","0.1225","0.1205","","","","1.274","1.294","1.294","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078334","15.126","0.003","14.672","0.002","15.196","0.002","90","","91.81","0.01","90","","3370.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 Cl2 Mo2 O12 Ru4 -","- C27 H18 Cl2 Mo2 O12 Ru4 -","- C108 H72 Cl8 Mo8 O48 Ru16 -","4","1","","Adams, Harry; Gill, Louise J.; Morris, Michael J.","Rearrangement and Scission of Terminal Alkynes in Dimolybdenum Complexes on Reaction with Ruthenium Carbonyl: Formation of Trinuclear Vinylidene and Hexanuclear Bis(alkylidyne) Clusters","Organometallics","1996","15","20","4182","","10.1021/om960235c","","","0.71073","MoKα","","0.0436","0.0384","","0.1018","0.0985","","","","1.224","1.262","1.262","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078335","14.018","0.009","22.364","0.011","24.087","0.014","90","","101.32","0.05","90","","7404","7","210","2","210","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C98 H88 Li2 -","- C98 H88 Li2 -","- C392 H352 Li8 -","4","1","","Dohmeier, Carsten; Baum, Elke; Ecker, Achim; Köppe, Ralf; Schnöckel, Hansgeorg","Pentabenzylcyclopentadienides of Lithium","Organometallics","1996","15","22","4702","","10.1021/om960375m","","","0.71069","MoKa","","0.3228","0.0606","","0.1843","0.1119","","","","0.956","1.5","1.5","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078357","11.374","0.005","11.374","0.005","18.75","0.005","90","","90","","90","","2425.6","1.6","223","2","223","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H32 Fe N2 O6 -","- C24 H32 Fe N2 O6 -","- C96 H128 Fe4 N8 O24 -","4","0.5","","Oberhoff, Markus; Duda, Lothar; Karl, Jörn; Mohr, Roland; Erker, Gerhard; Fröhlich, Roland; Grehl, Matthias","The Isocyanate Route to Cyclopentadienyl-Carboxamide- and Cyclopentadienyl-Amino Ester-Substituted Metallocene Complexes","Organometallics","1996","15","19","4005","","10.1021/om960234k","","","0.71073","MoKα","","0.088","0.0392","","0.1154","0.0993","","","","1.115","1.137","1.137","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078358","10.084","0.002","11.182","0.002","14.364","0.003","90","","92.2","0.02","90","","1618.5","0.5","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 Fe N O3 -","- C17 H21 Fe N O3 -","- C68 H84 Fe4 N4 O12 -","4","2","","Oberhoff, Markus; Duda, Lothar; Karl, Jörn; Mohr, Roland; Erker, Gerhard; Fröhlich, Roland; Grehl, Matthias","The Isocyanate Route to Cyclopentadienyl-Carboxamide- and Cyclopentadienyl-Amino Ester-Substituted Metallocene Complexes","Organometallics","1996","15","19","4005","","10.1021/om960234k","","","0.71073","MoKα","","0.1982","0.0591","","0.1552","0.113","","","","0.988","1.12","1.12","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078359","9.046","0.003","9.184","0.003","12.508","0.008","70.66","0.04","74.9","0.04","65.62","0.02","883.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H27 B8 Ir P2 S -","- C6 H27 B8 Ir P2 S -","- C12 H54 B16 Ir2 P4 S2 -","2","1","","Bould, Jonathan; Rath, Nigam P.; Barton, Lawrence","Metallaborane Heteroatom Incorporation Reactions: Metallacarboranes, Metallathiaboranes, and an Iridaazaborane from Iridanonaborane Precursors","Organometallics","1996","15","23","4916","","10.1021/om960313w","","","0.71073","MoKα","","0.0635","0.0521","","0.1389","0.1312","","","","1.044","1.077","1.077","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078360","9.385","0.007","9.485","0.007","12.466","0.009","69.14","0.05","74.5","0.05","63.63","0.03","921.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H29 B8 Ir P2 S -","- C6 H29 B8 Ir P2 S -","- C12 H58 B16 Ir2 P4 S2 -","2","1","","Bould, Jonathan; Rath, Nigam P.; Barton, Lawrence","Metallaborane Heteroatom Incorporation Reactions: Metallacarboranes, Metallathiaboranes, and an Iridaazaborane from Iridanonaborane Precursors","Organometallics","1996","15","23","4916","","10.1021/om960313w","","","0.71073","MoKα","","0.0358","0.0298","","0.0774","0.0727","","","","1.045","1.065","1.065","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078361","8.769","0.003","16.666","0.005","13.511","0.004","90","","97.12","0.02","90","","1959.3","1.1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H29 B8 Ir O P2 -","- C9 H29 B8 Ir O P2 -","- C36 H116 B32 Ir4 O4 P8 -","4","1","","Bould, Jonathan; Rath, Nigam P.; Barton, Lawrence","Metallaborane Heteroatom Incorporation Reactions: Metallacarboranes, Metallathiaboranes, and an Iridaazaborane from Iridanonaborane Precursors","Organometallics","1996","15","23","4916","","10.1021/om960313w","","","0.71073","MoKα","","0.0634","0.0378","","0.0867","0.0766","","","","1.03","1.073","1.073","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078362","11.7902","0.0008","15.2863","0.0011","16.2122","0.0011","90","","105.288","0.006","90","","2818.5","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 Cl Mo P3 -","- C29 H38 Cl Mo P3 -","- C116 H152 Cl4 Mo4 P12 -","4","1","","Abugideiri, Fatima; Fettinger, James C.; Keogh, D. Webster; Poli, Rinaldo","Four-Legged Piano Stool Molybdenum(II) Compounds without Carbonyl Ligands. 4. Cyclopentadienylmolybdenum(II) Complexes with 16-Electron and 18-Electron Configurations","Organometallics","1996","15","21","4407","","10.1021/om960331d","","","0.71073","MoKα","","0.1022","0.0611","","0.121","0.1067","","","","1.117","1.193","1.193","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078363","11.1404","0.0012","17.6283","0.0015","16.936","0.002","90","","107.922","0.009","90","","3164.6","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl Mo P2 -","- C36 H39 Cl Mo P2 -","- C144 H156 Cl4 Mo4 P8 -","4","1","","Abugideiri, Fatima; Fettinger, James C.; Keogh, D. Webster; Poli, Rinaldo","Four-Legged Piano Stool Molybdenum(II) Compounds without Carbonyl Ligands. 4. Cyclopentadienylmolybdenum(II) Complexes with 16-Electron and 18-Electron Configurations","Organometallics","1996","15","21","4407","","10.1021/om960331d","","","0.71073","MoKα","","0.0649","0.0365","","0.0954","0.0812","","","","1.064","1.077","1.077","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078364","8.0735","0.0005","13.9677","0.0009","20.458","0.002","90","","90.3421","0.0007","90","","2307","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H37 Cl2 Nb P2 -","- C18 H37 Cl2 Nb P2 -","- C72 H148 Cl8 Nb4 P8 -","4","1","","Fettinger, J. C.; Keogh, D. Webster; Kraatz, Heinz-Bernhard; Poli, Rinaldo","Synthesis and Properties of Cyclopentadienylniobium(III) Complexes. A Magneto−Structural Correlation for 16-Electron Four-Legged Piano Stool Complexes†","Organometallics","1996","15","26","5489","","10.1021/om960384v","","","0.71073","MoKα","","0.0808","0.0498","","0.1382","0.1193","","","","1.038","1.068","1.068","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078365","8.995","0.006","23.659","0.015","12.756","0.008","90","","98.67","0.05","90","","2684","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[H(CpCo)3(1,1-Ph2-ethane)]+[CF3COO]- . H2O","","","- C31 H32 Co3 F3 O3 -","- C31 H30 Co3 F3 O3 -","- C124 H120 Co12 F12 O12 -","4","1","","Wadepohl, Hubert; Calhorda, Maria José; Herrmann, Michael; Jost, Christof; Lopes, Pedro E. M.; Pritzkow, Hans","Organometallic Cluster Complexes with Face-Capping Arene Ligands. 8. Nucleophilic Reactivity of Cluster Complexes with Face-Capping Arene Ligands: Metal vs Ligand Protonation†","Organometallics","1996","15","26","5622","","10.1021/om9605692","","","0.71073","MoKα","","0.098","0.0599","","0.1744","0.1537","","","","1.093","1.245","1.245","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078366","18.942","0.009","17.686","0.009","24.178","0.012","90","","105.36","0.03","90","","7811","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[(CpCo)3(alpha-methylstyrene)]+[BPh4]- / 0.5 CH2Cl2","","","- C48.5 H46 B Cl Co3 -","- C48.5 H45.98 B Cl Co3 -","- C388 H367.84 B8 Cl8 Co24 -","8","1","","Wadepohl, Hubert; Calhorda, Maria José; Herrmann, Michael; Jost, Christof; Lopes, Pedro E. M.; Pritzkow, Hans","Organometallic Cluster Complexes with Face-Capping Arene Ligands. 8. Nucleophilic Reactivity of Cluster Complexes with Face-Capping Arene Ligands: Metal vs Ligand Protonation†","Organometallics","1996","15","26","5622","","10.1021/om9605692","","","0.7107","MoKα","","0.1328","0.0447","","0.1109","0.0878","","","","1.006","1.14","1.14","","","","","has coordinates","176467","2020-10-21","18:00:00",""