Information card for entry 4343262

Structure parameters

• Formula: C33 H59 N O P2 Ru
• Calculated formula: C33 H59 N O P2 Ru
• SMILES: [RuH]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C2=C(N1c1c(C(C)C)cccc1C(C)C)CCC2)C#[O]
• Title of publication: Ruthenium Complexes Stabilized by Bidentate Enamido-Phosphine Ligands: Aspects of Cooperative H2 Activation.
• Authors of publication: Wambach, Truman C.; Fryzuk, Michael D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5888 - 5896
• a: 12.507 ± 0.005 Å
• b: 16.903 ± 0.005 Å
• c: 16.26 ± 0.005 Å
• α: 90 ± 0.005°
• β: 101.445 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3369 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No