Information card for entry 7127969

Structure parameters

• Chemical name: (MeSiNAdP2)Co(CO)
• Formula: C36 H54 Co N O P2 Si
• Calculated formula: C36 H54 Co N O P2 Si
• SMILES: [Co]12(N([Si](c3c([P]2(C(C)C)C(C)C)cccc3)(c2c([P]1(C(C)C)C(C)C)cccc2)C)C12CC3CC(C1)CC(C2)C3)C#[O]
• Title of publication: Metal-ligand cooperative transformation of alkyl azide to isocyanate occurring at a Co-Si moiety.
• Authors of publication: So, Jongho; Kim, Seji; Cho, Kyung-Bin; Lee, Yunho
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 26
• Pages of publication: 3219 - 3222
• a: 20.4843 ± 0.0014 Å
• b: 11.8547 ± 0.0009 Å
• c: 14.178 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3442.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No