Information card for entry 7714188

Structure parameters

• Formula: C22 H9 Co6 O17 P
• Calculated formula: C22 H9 Co6 O17 P
• SMILES: C([Co]12(C#[O])(C#[O])[Co]3(C#[O])(C#[O])(C#[O])[Co]1(C#[O])(C#[O])(C#[O])[P]23[Co]1234(C#[O])C(=O)[Co]563(C#[O])(C#[O])C(=O)[Co]46(C#[O])(C#[O])(C1=O)C25C(C)(C)C)#[O]
• Title of publication: Unusual cleavage of phosphaalkynes triple bond in the coordination sphere of transition metals
• Authors of publication: Moussa, Mehdi; Rummel, Eva-Maria; Eckhardt, Maria; Riesinger, Christoph; Scheer, Manfred
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.6816 ± 0.0006 Å
• b: 11.1058 ± 0.0006 Å
• c: 17.5276 ± 0.0011 Å
• α: 81.547 ± 0.005°
• β: 83.899 ± 0.005°
• γ: 68.045 ± 0.006°
• Cell volume: 1547.93 ± 0.18 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No