Information card for entry 7710555

Structure parameters

• Formula: C86 H88 Cl2 Co2 O2 P6
• Calculated formula: C86 H88 Cl2 Co2 O2 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: 14.7933 ± 0.0014 Å
• b: 13.2529 ± 0.0011 Å
• c: 19.568 ± 0.0019 Å
• α: 90°
• β: 102.074 ± 0.003°
• γ: 90°
• Cell volume: 3751.5 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0973
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0351
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No