Information card for entry 4315407

Structure parameters

• Formula: C42 H41 Cl N4 O10 P2 Ru3
• Calculated formula: C42 H41 Cl N4 O10 P2 Ru3
• 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: 17.7363 ± 0.0005 Å
• b: 12.768 ± 0.0003 Å
• c: 21.6124 ± 0.0006 Å
• α: 90°
• β: 94.777 ± 0.0003°
• γ: 90°
• Cell volume: 4877.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No