Information card for entry 4122752

Structure parameters

• Formula: C70 H77 B Co N6 O
• Calculated formula: C70 H77 B Co N6 O
• SMILES: [Co]123Oc4c(C[N]1(CCN1C=3N(C=C1)c1c(cc(cc1C)C)C)CCN1C(N(C=C1)c1c(cc(cc1C)C)C)=[NH]2)cc(cc4C12CC3CC(CC(C1)C3)C2)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 17.8314 ± 0.0007 Å
• b: 17.0079 ± 0.0007 Å
• c: 20.8227 ± 0.0008 Å
• α: 90°
• β: 114.012 ± 0.002°
• γ: 90°
• Cell volume: 5768.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0669
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No