Information card for entry 7714187

Structure parameters

• Formula: C21 H7 Co6 O17 P
• Calculated formula: C21 H7 Co6 O17 P
• SMILES: [Co]1234([Co]56([Co]1(C#[O])(C35C(C)C)(C#[O])(C6=O)C4=O)(C#[O])(C2=O)C#[O])([P]12[Co]3([Co]1([Co]23(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])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: 8.6531 ± 0.0004 Å
• b: 11.1862 ± 0.0005 Å
• c: 17.1189 ± 0.0008 Å
• α: 88.761 ± 0.004°
• β: 79.668 ± 0.004°
• γ: 68.32 ± 0.004°
• Cell volume: 1513.04 ± 0.13 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0536
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No