Information card for entry 4134785

Structure parameters

• Formula: C76 H104 Co2 N12 O2
• Calculated formula: C76 H104 Co2 N12 O2
• 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: 17.7543 ± 0.0014 Å
• b: 21.2404 ± 0.0015 Å
• c: 10.2959 ± 0.0009 Å
• α: 90°
• β: 91.993 ± 0.004°
• γ: 90°
• Cell volume: 3880.3 ± 0.5 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No