Information card for entry 4122835

Structure parameters

• Formula: C29 H42 Co N2 O Si2
• Calculated formula: C29 H42 Co N2 O Si2
• SMILES: [Co]123(=C4N(C=CN4c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)[CH2]=[CH]1[Si](O[Si]([CH]3=[CH2]2)(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: 8.8244 ± 0.0012 Å
• b: 10.6363 ± 0.0015 Å
• c: 17.548 ± 0.002 Å
• α: 95.353 ± 0.002°
• β: 96.262 ± 0.002°
• γ: 111.638 ± 0.002°
• Cell volume: 1505.9 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 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: 0.0744
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No