Information card for entry 4514890

Structure parameters

• Formula: C20 H39 Mn O3 P2
• Calculated formula: C20 H39 Mn O3 P2
• SMILES: [Mn]1([P](C(C)C)(C(C)C)CC[P]1(C(C)C)C(C)C)(CCC)(C#[O])(C#[O])C#[O]
• Title of publication: Rethinking Basic Concepts—Hydrogenation of Alkenes Catalyzed by Bench-Stable Alkyl Mn(I) Complexes
• Authors of publication: Weber, Stefan; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 9715
• a: 11.654 ± 0.003 Å
• b: 14.455 ± 0.003 Å
• c: 13.866 ± 0.003 Å
• α: 90°
• β: 98.639 ± 0.006°
• γ: 90°
• Cell volume: 2309.3 ± 0.9 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: 0.0533
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No