Information card for entry 7710553

Structure parameters

• Formula: C56 H40 B Co D6 F24 N2 P2
• Calculated formula: C56 H40 B Co D6 F24 N2 P2
• 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: 13.7516 ± 0.0007 Å
• b: 14.4882 ± 0.0007 Å
• c: 17.3962 ± 0.0009 Å
• α: 106.052 ± 0.002°
• β: 102.166 ± 0.002°
• γ: 111.963 ± 0.001°
• Cell volume: 2890.8 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No