Information card for entry 7000522

Structure parameters

• Common name: (Co2Br4(dppcbO4))
• Chemical name: [Co2Br4(dppcbO4)]
• Formula: C54 H48 Br4 Cl4 Co2 O4 P4
• Calculated formula: C54 H48 Br4 Cl4 Co2 O4 P4
• SMILES: [C@@H]12[C@H](P(=[O][Co]([O]=P1(c1ccccc1)c1ccccc1)(Br)Br)(c1ccccc1)c1ccccc1)[C@H]1[C@H]2P(=[O][Co]([O]=P1(c1ccccc1)c1ccccc1)(Br)Br)(c1ccccc1)c1ccccc1.ClCCl.C(Cl)Cl
• Title of publication: Regio- and chemoselective oxidation of the bis(bidentate) phosphine cis,trans,cis-1,2,3,4-tetrakis(diphenylphosphino)cyclobutane via cobalt(II) mediated dioxygen activation
• Authors of publication: Fessler, Markus; Eller, Sylvia; Bachmann, Christian; Gutmann, Rene; Trettenbrein, Barbara; Kopacka, Holger; Mueller, Thomas; Brueggeller, Peter
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 8
• Pages of publication: 1383
• a: 21.2304 ± 0.0003 Å
• b: 22.5106 ± 0.0003 Å
• c: 14.0664 ± 0.0003 Å
• α: 90°
• β: 120.084 ± 0.001°
• γ: 90°
• Cell volume: 5816.89 ± 0.18 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No