Information card for entry 4337980

Structure parameters

• Formula: C36 H20 Co8 O15
• Calculated formula: C36 H20 Co8 O15
• SMILES: [C]12345[Co]6789%10(C(=O)[Co]%11%12%1318(C#[O])C(=O)[Co]18%145%13(C(=O)[Co]53%108(C6=O)(C(=O)[Co]34%145([Co]29%12(C7=O)(C%11=O)(C#[O])C3=O)(C#[O])C1=O)C#[O])C#[O])C#[O].[cH]12[cH]3[cH]4[Co]5678923([cH]1[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81.[cH]12[cH]3[cH]4[cH]5[cH]1[Co]16782345[cH]2[cH]1[cH]6[cH]7[cH]82
• 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: 10.0609 ± 0.0014 Å
• b: 11.8203 ± 0.0017 Å
• c: 17.039 ± 0.002 Å
• α: 90°
• β: 105.387 ± 0.002°
• γ: 90°
• Cell volume: 1953.7 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No