Information card for entry 1518896

Structure parameters

• Formula: C55 H59 Cl O P2 Ru Si
• Calculated formula: C55 H59 Cl O P2 Ru Si
• SMILES: [Ru]12(Cl)([P](c3c4[O]2c2c([Si]1(C)C)cc(cc2C(C)(C)c4cc(c3)C(C)(C)C)C(C)(C)C)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Ruthenium Complexes with a NonspectatorSi,O,P-Chelate Ligand: Interconversion between a Hydrido(η2-silane) Complex and a Silyl Complex Leading to Catalytic Alkene Hydrogenation
• Authors of publication: Komuro, Takashi; Arai, Takafumi; Kikuchi, Kei; Tobita, Hiromi
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1211
• a: 11.0035 ± 0.0001 Å
• b: 11.187 ± 0.0002 Å
• c: 22.7319 ± 0.0005 Å
• α: 91.9741 ± 0.0005°
• β: 93.1478 ± 0.0008°
• γ: 118.088 ± 0.0018°
• Cell volume: 2459.15 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1071
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No