Information card for entry 4337981

Structure parameters

• Formula: C43 H32 Co10 N2 O21
• Calculated formula: C43 H32 Co10 N2 O21
• SMILES: C1(=O)[Co]234567([Co]89%10%11%121(C(=O)[Co]1%13%14%15%10([Co]%10%16%172([C]2%18%1941[C]14%2038[Co]38%21%22%142(C(=O)[Co]2%12%20%21(C9=O)(C#[O])[Co]9%1218(C(=O)[Co]7%1142%12(C#[O])C5=O)(C3=O)(C(=O)[Co]16%16%189(C#[O])C(=O)[Co]%15%17%19%221(C#[O])C%10=O)C#[O])C#[O])(C#[O])C%13=O)C#[O])C#[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: 12.2252 ± 0.0014 Å
• b: 17.194 ± 0.002 Å
• c: 23.594 ± 0.003 Å
• α: 90°
• β: 91.873 ± 0.001°
• γ: 90°
• Cell volume: 4956.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No