Information card for entry 4064976

Structure parameters

• Formula: C42 H46 Cl2 N2 P2 Ru
• Calculated formula: C42 H46 Cl2 N2 P2 Ru
• Title of publication: Oxidative Synthesis of Amides and Pyrroles via Dehydrogenative Alcohol Oxidation by Ruthenium Diphosphine Diamine Complexes
• Authors of publication: Schley, Nathan D.; Dobereiner, Graham E.; Crabtree, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 4174
• a: 18.1126 ± 0.0014 Å
• b: 10.0116 ± 0.0007 Å
• c: 41.749 ± 0.003 Å
• α: 90°
• β: 93.3068 ± 0.0017°
• γ: 90°
• Cell volume: 7558 ± 1 ų
• Cell temperature: 223.1 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No