Information card for entry 4341647

Structure parameters

• Formula: C36 H75 K P4 Ru
• Calculated formula: C36 H75 K P4 Ru
• SMILES: [K+].[RuH3]12[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.c1ccccc1
• 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: 12.5716 ± 0.0008 Å
• b: 12.6716 ± 0.0009 Å
• c: 14.4181 ± 0.001 Å
• α: 71.966 ± 0.003°
• β: 79.246 ± 0.003°
• γ: 83.606 ± 0.003°
• Cell volume: 2142.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No