Information card for entry 4507149

Structure parameters

• Formula: C19 H18 Co O4 P
• Calculated formula: C19 H18 Co O4 P
• SMILES: [Co]([P](c1ccccc1)(c1ccccc1)CC)(C#[O])(C#[O])(C#[O])C(=O)C
• Title of publication: Ligand Effects on Reactivity of Cobalt Acyl Complexes
• Authors of publication: Birbeck, James M.; Haynes, Anthony; Adams, Harry; Damoense, Llewellyn; Otto, Stefanus
• Journal of publication: ACS Catalysis
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 2512
• a: 14.5719 ± 0.0015 Å
• b: 17.2445 ± 0.0018 Å
• c: 7.3877 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1856.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.032
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No