Information card for entry 4317647

Structure parameters

• Formula: C42 H77 Cl2 Co2 N6 O14 S2
• Calculated formula: C42 H75 Cl2 Co2 N6 O14 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: 16.617 ± 0.003 Å
• b: 20.232 ± 0.004 Å
• c: 15.717 ± 0.003 Å
• α: 90°
• β: 93.54 ± 0.03°
• γ: 90°
• Cell volume: 5273.9 ± 1.7 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2495
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections: 0.2319
• Weighted residual factors for significantly intense reflections: 0.169
• Goodness-of-fit parameter for all reflections: 0.722
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No