Information card for entry 4343264

Structure parameters

• Formula: C33 H61 N O P2 Ru
• Calculated formula: C33 H61 N O P2 Ru
• SMILES: C(#[O])[RuH2]1([N](=C2C(CCC2)[P]1(C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[P](C(C)C)(C(C)C)C(C)C
• 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: 21.5581 ± 0.0008 Å
• b: 9.707 ± 0.0004 Å
• c: 33.0071 ± 0.0012 Å
• α: 90°
• β: 90.028 ± 0.002°
• γ: 90°
• Cell volume: 6907.2 ± 0.5 ų
• Cell temperature: 90.15 K
• Ambient diffraction temperature: 90.15 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: 0.0846
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No