Information card for entry 4134944

Structure parameters

• Formula: C23 H33 Cl N O Rh
• Calculated formula: C23 H33 Cl N O Rh
• Title of publication: Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.
• Authors of publication: Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 13.1985 ± 0.0006 Å
• b: 7.991 ± 0.0004 Å
• c: 21.6147 ± 0.001 Å
• α: 90°
• β: 107.357 ± 0.001°
• γ: 90°
• Cell volume: 2175.88 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No