Information card for entry 4127255

Structure parameters

• Formula: C79 H70 Co N3
• Calculated formula: C79 H70 Co N3
• Title of publication: Catalytic C-H Amination Mediated by Dipyrrin Cobalt Imidos.
• Authors of publication: Baek, Yunjung; Betley, Theodore A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 19
• Pages of publication: 7797 - 7806
• a: 11.9404 ± 0.001 Å
• b: 16.2194 ± 0.0013 Å
• c: 16.2288 ± 0.0014 Å
• α: 87.845 ± 0.002°
• β: 87.553 ± 0.002°
• γ: 72.424 ± 0.002°
• Cell volume: 2992.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1455
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No