Information card for entry 4134149

Structure parameters

• Formula: C72 H90 N6 O4 Ru
• Calculated formula: C72 H90 N6 O4 Ru
• Title of publication: Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH₃ through Modification of the Hydrogen Atom Abstractor.
• Authors of publication: Dunn, Peter L.; Johnson, Samantha I.; Kaminsky, Werner; Bullock, R. Morris
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 7
• Pages of publication: 3361 - 3365
• a: 11.2702 ± 0.0007 Å
• b: 11.8317 ± 0.0007 Å
• c: 12.8794 ± 0.001 Å
• α: 100.208 ± 0.003°
• β: 90.767 ± 0.003°
• γ: 110.714 ± 0.003°
• Cell volume: 1575.56 ± 0.19 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No