Information card for entry 4337975

Structure parameters

• Formula: C45 H32 Co11 N2 O23
• Calculated formula: C45 H32 Co11 N2 O23
• SMILES: [Co]123456789[Co]%10%11%12%13%14([Co]%15%16([Co]%171%10([Co]1%103%15([Co]3%15%185([Co]5%19%20%214%11([Co]4%11%222([Co]2%235([Co]54([Co]3%192([C]%15%20%11%235)(C%18=O)(C#[O])C#[O])(C#[O])(C#[O])C%22=O)(C%21=O)(C#[O])C#[O])(C7=O)C#[O])(C8=O)C%13=O)([C]6%12%16%171)C%10=O)(C#[O])C#[O])(C#[O])(C#[O])C9=O)(C#[O])(C#[O])C%14=O)C#[O].[N+](C)(C)(C)Cc1ccccc1.[N+](C)(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: 21.669 ± 0.004 Å
• b: 11.2475 ± 0.0019 Å
• c: 43.857 ± 0.009 Å
• α: 90°
• β: 102.462 ± 0.002°
• γ: 90°
• Cell volume: 10437 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No