Information card for entry 7000517

Structure parameters

• Common name: (Co2Br4(2,3-trans-dppcbO2))
• Chemical name: [Co2Br4(2,3-trans-dppcbO2)]
• Formula: C54 H46 Br4 Cl6 Co2 O2 P4
• Calculated formula: C54 H46 Br4 Cl6 Co2 O2 P4
• SMILES: C(Cl)(Cl)Cl.[O]1[Co]([P](c2ccccc2)([C@H]2[C@H]([C@H]3[C@@H]2[P](c2ccccc2)(c2ccccc2)[Co]([O]=P3(c2ccccc2)c2ccccc2)(Br)Br)P=1(c1ccccc1)c1ccccc1)c1ccccc1)(Br)Br.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[O]1[Co]([P](c2ccccc2)([C@@H]2[C@@H]([C@@H]3[C@H]2[P](c2ccccc2)(c2ccccc2)[Co]([O]=P3(c2ccccc2)c2ccccc2)(Br)Br)P=1(c1ccccc1)c1ccccc1)c1ccccc1)(Br)Br.C(Cl)(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: 21.145 ± 0.005 Å
• b: 23.251 ± 0.004 Å
• c: 13.88 ± 0.003 Å
• α: 90°
• β: 119.84 ± 0.01°
• γ: 90°
• Cell volume: 5919 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0865
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No