Information card for entry 1575841

Structure parameters

• Formula: C49 H54 Br Mn O6 P2
• Calculated formula: C49 H54 Br Mn O6 P2
• Title of publication: Non-bifunctional Mn catalysts based on phosphine–phosphites for the hydrogenation of carbonyl substrates
• Authors of publication: Jiménez, Verónica; González, Carmen; Serrano, Joaquín López; Fernández de Córdova, Francisco; Pizzano, Antonio
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 6666 - 6677
• a: 9.3612 ± 0.0004 Å
• b: 10.4559 ± 0.0004 Å
• c: 24.2055 ± 0.001 Å
• α: 79.16 ± 0.002°
• β: 85.944 ± 0.002°
• γ: 80.855 ± 0.002°
• Cell volume: 2295.34 ± 0.16 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No