Information card for entry 7710549

Structure parameters

• Formula: C33 H43 Cl Co N3
• Calculated formula: C33 H43 Cl Co N3
• 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: 8.7386 ± 0.0006 Å
• b: 22.8891 ± 0.0016 Å
• c: 15.5231 ± 0.0011 Å
• α: 90°
• β: 101.295 ± 0.002°
• γ: 90°
• Cell volume: 3044.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No