Information card for entry 4310722

Structure parameters

• Formula: C36 H42 Co11 N5 O22
• Calculated formula: C36 H42 Co11 N5 O22
• SMILES: [Co]123456789([Co]%10%11%12%13%14%15([Co]%16%17%18%191([Co]1%20%21%222([Co]2%23%243%10([Co]3%10%257([Co]7%264%11([Co]%1223([N]9%13%23%107)(C#[O])(C%26=O)C%25=O)(C#[O])C%15=O)(C#[O])C%24=O)(C#[O])C%21=O)([Co]2346([Co]675%16([Co]%1712([N]8%18%2036)(C#[O])(C7=O)C4=O)(C#[O])C%19=O)(C#[O])C%22=O)C#[O])(C#[O])C%14=O)C#[O])C#[O].[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.O=C(C)C
• Title of publication: Electron Transfer and CO Addition to Polynitrido Cobalt Carbonyl Clusters: Parallel Pathways for Conversion of the [Co10N2(CO)19]4- Anion to the Novel [Co11N2(CO)21]3- Anion
• Authors of publication: Alessandro Fumagalli; Paola Ulivieri; Michela Costa; Ornella Crispu; Roberto Della Pergola; Fabrizia Fabrizi de Biani; Franco Laschi; Piero Zanello; Piero Macchi; Angelo Sironi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2125 - 2131
• a: 11.413 ± 0.005 Å
• b: 21.241 ± 0.005 Å
• c: 23.044 ± 0.005 Å
• α: 90°
• β: 100.773 ± 0.005°
• γ: 90°
• Cell volume: 5488 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No