Information card for entry 4337973

Structure parameters

• Formula: C25 H16 Co6 N O14
• Calculated formula: C25 H16 Co6 N O14
• SMILES: [C]12345[Co]6789%10%11(C(=O)[Co]%12%13%1429(C(=O)[Co]29%153%10%12(C(=O)[Co]34%13%15(C#[O])(C#[O])[Co]189(C7=O)(C#[O])(C2=O)[Co]5%11%143(C#[O])(C6=O)C#[O])C#[O])C#[O])C#[O].C[N+](C)(C)Cc1ccccc1
• Title of publication: The Redox Chemistry of [Co6C(CO)15](2-): A Synthetic Route to New Co-Carbide Carbonyl Clusters.
• Authors of publication: Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Longoni, Giuliano; Pinzino, Calogero; Solmi, Matilde Valeria; Zacchini, Stefano
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3818
• a: 8.486 ± 0.006 Å
• b: 13.191 ± 0.01 Å
• c: 14.67 ± 0.011 Å
• α: 98.879 ± 0.009°
• β: 100.701 ± 0.009°
• γ: 91.722 ± 0.009°
• Cell volume: 1591 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0756
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No