Information card for entry 7710552

Structure parameters

• Formula: C81 H78 Cl2 Co2 P6
• Calculated formula: C81 H78 Cl2 Co2 P6
• Title of publication: Activator-free single-component Co(i)-catalysts for regio- and enantioselective heterodimerization and hydroacylation reactions of 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes and comparison to in situ generated catalysts
• Authors of publication: Parsutkar, Mahesh M.; Moore, Curtis E.; RajanBabu, T. V.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 21.4598 ± 0.0009 Å
• b: 21.5413 ± 0.0009 Å
• c: 23.7245 ± 0.001 Å
• α: 66.439 ± 0.001°
• β: 66.401 ± 0.001°
• γ: 71.722 ± 0.001°
• Cell volume: 9056.8 ± 0.7 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No