Information card for entry 4315406

Structure parameters

• Formula: C32 H34 N4 O3 P2 Ru
• Calculated formula: C32 H34 N4 O3 P2 Ru
• SMILES: [Ru]1([P](C[P]1(c1c(NC)cccc1)c1c(NC)cccc1)(c1c(NC)cccc1)c1c(NC)cccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Coordinatively Diverse ortho-Phosphinoaniline Complexes of Ruthenium and Isolation of a Putative Intermediate in Ketone Transfer Hydrogenation Catalysis
• Authors of publication: Lindsay J. Hounjet; Matthias Bierenstiel; Michael J. Ferguson; Robert McDonald; Martin Cowie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4288 - 4300
• a: 11.2706 ± 0.0012 Å
• b: 12.7184 ± 0.0014 Å
• c: 11.9508 ± 0.0013 Å
• α: 90°
• β: 116.957 ± 0.001°
• γ: 90°
• Cell volume: 1526.9 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No