Information card for entry 4066474

Structure parameters

• Formula: C25 H15 Co2 O7 P
• Calculated formula: C25 H15 Co2 O7 P
• SMILES: [Co]([Co]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(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: 7.9383 ± 0.0001 Å
• b: 10.553 ± 0.0002 Å
• c: 30.5205 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2556.79 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No