Information card for entry 4134787

Structure parameters

• Formula: C79 H124 Br0.19 Co2 N10.3
• Calculated formula: C79 H124 Br0.195 Co2 N10.29
• Title of publication: Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.
• Authors of publication: Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 30.437 ± 0.002 Å
• b: 16.9734 ± 0.0011 Å
• c: 15.1227 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7812.7 ± 0.9 ų
• Cell temperature: 99.96 K
• Ambient diffraction temperature: 99.96 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No