Information card for entry 7714185

Structure parameters

• Formula: C19 H3 Co6 O17 P
• Calculated formula: C19 H3 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)[Co]563(C#[O])(C#[O])C(=O)[Co]46(C1=O)(C#[O])(C#[O])C25C)C#[O])#[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: 12.1777 ± 0.0002 Å
• b: 14.2641 ± 0.0002 Å
• c: 16.3093 ± 0.0002 Å
• α: 90°
• β: 108.715 ± 0.002°
• γ: 90°
• Cell volume: 2683.2 ± 0.07 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 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: 0.0405
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No