Information card for entry 4337974

Structure parameters

• Formula: C23 H20 Co6 N O14
• Calculated formula: C23 H20 Co6 N O14
• SMILES: C(#[O])[Co]12345([C]6789[Co]%10%11%122(C(=O)[Co]2%13%14%157%10(C(=O)[Co]748%11%14(C#[O])C(=O)[Co]436%137(C1=O)(C(=O)[Co]59%12%154(C#[O])C2=O)C#[O])C#[O])(C#[O])C#[O])C#[O].[N+](CC)(CC)(CC)CC
• 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: 8.6041 ± 0.0003 Å
• b: 8.6041 ± 0.0003 Å
• c: 42.833 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3170.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 95
• Hermann-Mauguin space group symbol: P 43 2 2
• Hall space group symbol: P 4cw 2c
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No