Information card for entry 4134788

Structure parameters

• Formula: C90 H130 Co2 N13 Na O4
• Calculated formula: C90 H130 Co2 N13 Na O4
• 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: 12.4567 ± 0.0009 Å
• b: 12.6505 ± 0.001 Å
• c: 16.5318 ± 0.0012 Å
• α: 70.454 ± 0.004°
• β: 72.443 ± 0.003°
• γ: 70.308 ± 0.004°
• Cell volume: 2258.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No