Information card for entry 4118885

Structure parameters

• Formula: C17 H24 O4 Ru Si2
• Calculated formula: C17 H24 O4 Ru Si2
• SMILES: [Ru]1234(C#[O])(C#[O])(C#[O])[C]5(=O)[C]1(=[C]12CCC[C]31=[C]45[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst
• Authors of publication: Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 18746 - 18757
• a: 7.705 ± 0.003 Å
• b: 13.954 ± 0.005 Å
• c: 19.299 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2074.9 ± 1.3 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No