Information card for entry 7000518

Structure parameters

• Common name: (Co2Br4(1,3-trans-dppcbO2))
• Chemical name: [Co2Br4(1,3-trans-dppcbO2)]
• Formula: C53 H45 Br4 Cl3 Co2 O2 P4
• Calculated formula: C53 H44 Br4 Cl3 Co2 O2 P4
• 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: 12.93 ± 0.005 Å
• b: 13.128 ± 0.006 Å
• c: 17.295 ± 0.006 Å
• α: 106.56 ± 0.01°
• β: 103.09 ± 0.01°
• γ: 92.33 ± 0.01°
• Cell volume: 2723.4 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.2049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No