Information card for entry 4337983

Structure parameters

• Formula: C58 H64 Co8 N4 O17
• Calculated formula: C58 H64 Co8 N4 O17
• SMILES: [Co]123456([Co]789%10([Co]%11%12%13%14%15([Co]%16%17%18%198([Co]817([Co]17%20%213([Co]32%11([Co]%12%161([C]49%13%17873)(C%20=O)(C%19=O)(C#[O])C%15=O)(C#[O])(C%14=O)(C5=O)C%21=O)C#[O])(C%18=O)(C%10=O)C#[O])C#[O])C#[O])(C#[O])C6=O)C#[O].[N+](C)(C)(C)Cc1ccccc1.[N+](C)(C)(C)Cc1ccccc1.[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: 14.6212 ± 0.0011 Å
• b: 17.7645 ± 0.0013 Å
• c: 24.2184 ± 0.0017 Å
• α: 90°
• β: 93.574 ± 0.001°
• γ: 90°
• Cell volume: 6278.2 ± 0.8 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 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: 0.1219
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No