Information card for entry 4315403

Structure parameters

• Formula: C32 H40 Cl6 N O P Ru
• Calculated formula: C32 H40 Cl6 N O P Ru
• SMILES: [Ru]123456(Cl)([P](c7c([N]1(C)C)cccc7)(c1ccccc1)c1ccccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.[Cl-].ClCCl.ClCCl.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: 10.5904 ± 0.0007 Å
• b: 14.7948 ± 0.0009 Å
• c: 22.9421 ± 0.0014 Å
• α: 96.8793 ± 0.0009°
• β: 95.4204 ± 0.0009°
• γ: 96.172 ± 0.0009°
• Cell volume: 3527 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No