Information card for entry 4134786

Structure parameters

• Formula: C235.11 H318 Co6 N24
• Calculated formula: C235.104 H318 Co6 N24
• 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: 15.7471 ± 0.0007 Å
• b: 18.5697 ± 0.0007 Å
• c: 23.0557 ± 0.001 Å
• α: 78.769 ± 0.002°
• β: 73.599 ± 0.002°
• γ: 68.813 ± 0.002°
• Cell volume: 5997.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No