Information card for entry 4341650

Structure parameters

• Formula: C30 H67 Cl N2 P4 Ru
• Calculated formula: C30 H67 Cl N2 P4 Ru
• SMILES: [RuH]12(Cl)([N]#N)[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: 8.4338 ± 0.0004 Å
• b: 20.2875 ± 0.0007 Å
• c: 21.5007 ± 0.0008 Å
• α: 90°
• β: 92.064 ± 0.001°
• γ: 90°
• Cell volume: 3676.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No