Information card for entry 4135477

Structure parameters

• Formula: C26 H54 F6 N3.8 O4 P3 Ru S2
• Calculated formula: C26 H54 F6 N3.8 O4 P3 Ru S2
• Title of publication: Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction.
• Authors of publication: Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 10.2586 ± 0.0002 Å
• b: 11.4779 ± 0.0002 Å
• c: 16.7535 ± 0.0002 Å
• α: 79.687 ± 0.001°
• β: 82.79 ± 0.001°
• γ: 78.383 ± 0.001°
• Cell volume: 1892.84 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No