Information card for entry 7717031

Structure parameters

• Formula: C42 H38 Br Mn N2 O2 P2
• Calculated formula: C42 H38 Br Mn N2 O2 P2
• Title of publication: Efficient Hydrogenation of Ketones over Diaminophosphino Manganese Complex
• Authors of publication: Zhang, ZhangYu; Li, Bin; Wang, Tao; Duan, Ning; Zheng, Jianwei; Li, Hao; Zhang, Feng-Jun; Fang, Xiaolong
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 11.757 ± 0.002 Å
• b: 17.831 ± 0.003 Å
• c: 18.477 ± 0.003 Å
• α: 92.962 ± 0.011°
• β: 105.097 ± 0.013°
• γ: 90.746 ± 0.013°
• Cell volume: 3733.4 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1294
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.2572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No