Information card for entry 4315404

Structure parameters

• Formula: C43 H56 Cl2 N4 P2 Ru
• Calculated formula: C43 H56 Cl2 N4 P2 Ru
• SMILES: [Ru]123456(Cl)([P](C[P]1(c1c(N(C)C)cccc1)c1c(N(C)C)cccc1)(c1c(N(C)C)cccc1)c1c(N(C)C)cccc1)[c]1([cH]6[cH]5[c]4(C)[cH]3[cH]21)C(C)C.[Cl-]
• 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: 36.0666 ± 0.0014 Å
• b: 10.3284 ± 0.0004 Å
• c: 22.7085 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8459.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No