Information card for entry 1542888

Structure parameters

• Formula: C31 H34 N2 O4 P2 Ru
• Calculated formula: C31 H34 N2 O4 P2 Ru
• SMILES: [Ru]123([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(OC(=O)C[NH2]2)OC(=O)C[NH2]3
• Title of publication: Hydrogenation of Aldehydes Catalyzed by an Available Ruthenium Complex.
• Authors of publication: Tan, Xuefeng; Wang, Guozhen; Zhu, Ziyue; Ren, Conghui; Zhou, Jinping; Lv, Hui; Zhang, Xiaoyong; Chung, Lung Wa; Zhang, Lina; Zhang, Xumu
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 1518 - 1521
• a: 19.4893 ± 0.0016 Å
• b: 19.4893 ± 0.0016 Å
• c: 21.1331 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8027 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No