Information card for entry 4341651

Structure parameters

• Formula: C31 H68 O P4 Ru
• Calculated formula: C31 H68 O P4 Ru
• SMILES: [RuH2]12(C#[O])[P](CC[P]1(CC[P]2(C(C)(C)C)C(C)(C)C)CCP(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Ruthenium Hydrides Containing the Superhindered Polydentate Polyphosphine Ligand P(CH2CH2P(t)Bu2)3.
• Authors of publication: Gilbert-Wilson, Ryan; Field, Leslie D.; Bhadbhade, Mohan
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141112150820006
• a: 8.3997 ± 0.0003 Å
• b: 21.4472 ± 0.0007 Å
• c: 20.3982 ± 0.0006 Å
• α: 90°
• β: 99.013 ± 0.002°
• γ: 90°
• Cell volume: 3629.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4341649
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No