Information card for entry 4112449

Structure parameters

• Common name: {Me2NN]Co=NAd
• Formula: C31 H40 Co N3
• Calculated formula: C31 H40 Co N3
• SMILES: [Co]1(N(c2c(cccc2C)C)C(=CC(=[N]1c1c(cccc1C)C)C)C)=NC12CC3CC(CC(C2)C3)C1
• Title of publication: [Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes
• Authors of publication: Xuliang Dai; Pooja Kapoor; Timothy H. Warren
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4798 - 4799
• a: 7.2103 ± 0.0014 Å
• b: 18.185 ± 0.004 Å
• c: 20.516 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2690 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No