Information card for entry 4317652

Structure parameters

• Formula: C49 H80 Cl3 Co2 N7 O17 S2
• Calculated formula: C49 H74 Cl3 Co2 N7 O17 S2
• Title of publication: Carboxylate and Alkyl Carbonate Coordination at the Hydrophobic Binding Site of Redox-Active Dicobalt Amine Thiophenolate Complexes
• Authors of publication: Berthold Kersting; Gunther Steinfeld
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1140 - 1150
• a: 16.003 ± 0.003 Å
• b: 23.209 ± 0.005 Å
• c: 37.134 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13792 ± 5 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.4162
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections: 0.3322
• Weighted residual factors for significantly intense reflections: 0.2421
• Goodness-of-fit parameter for all reflections: 0.721
• Goodness-of-fit parameter for significantly intense reflections: 1.568
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No