Information card for entry 7127972

Structure parameters

• Chemical name: (MeSiP2)Co(CO)2
• Formula: C27 H39 Co O2 P2 Si
• Calculated formula: C27 H39 Co O2 P2 Si
• SMILES: [Co]12(C#[O])([P](c3ccccc3[Si]1(c1c([P]2(C(C)C)C(C)C)cccc1)C)(C(C)C)C(C)C)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: 11.2544 ± 0.0006 Å
• b: 15.4033 ± 0.0008 Å
• c: 15.7698 ± 0.0008 Å
• α: 90°
• β: 94.781 ± 0.001°
• γ: 90°
• Cell volume: 2724.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No