Information card for entry 4122753

Structure parameters

• Formula: C50 H65.25 Cl Co N5.94 O2.16
• Calculated formula: C50 H65.257 Cl Co N5.937 O2.159
• Title of publication: An Intermediate Cobalt(IV) Nitrido Complex and its N-Migratory Insertion Product.
• Authors of publication: Zolnhofer, Eva M.; Käß, Martina; Khusniyarov, Marat M.; Heinemann, Frank W.; Maron, Laurent; van Gastel, Maurice; Bill, Eckhard; Meyer, Karsten
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 42
• Pages of publication: 15072 - 15078
• a: 19.0807 ± 0.0018 Å
• b: 42.12 ± 0.005 Å
• c: 22.668 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18218 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.639
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No