Information card for entry 4066475

Structure parameters

• Formula: C25 H22 Co O5 P
• Calculated formula: C25 H22 Co O5 P
• SMILES: [Co]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(CC(=O)OCC)(C#[O])(C#[O])C#[O]
• Title of publication: Triphenylphosphane-Modified Cobalt Catalysts for the Selective Carbonylation of Ethyl Diazoacetate
• Authors of publication: Ungvári, Neszta; Fördős, Eszter; Balogh, János; Kégl, Tamás; Párkányi, László; Ungváry, Ferenc
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3837
• a: 9.3676 ± 0.0003 Å
• b: 18.0352 ± 0.0004 Å
• c: 15.0701 ± 0.0004 Å
• α: 90°
• β: 113.208 ± 0.002°
• γ: 90°
• Cell volume: 2340.02 ± 0.12 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No