Information card for entry 4122836

Structure parameters

• Formula: C45 H58 Co N4
• Calculated formula: C45 H58 Co N4
• SMILES: C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(C)cc1C)C)=[Co](=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Three-Coordinate Cobalt(IV) and Cobalt(V) Imido Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Structure, and Their Distinct Reactivity in C-H Bond Amination.
• Authors of publication: Zhang, Long; Liu, Yuesheng; Deng, Liang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 44
• Pages of publication: 15525 - 15528
• a: 16.843 ± 0.003 Å
• b: 16.843 ± 0.003 Å
• c: 28.286 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8024 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No