Information card for entry 7027664

Structure parameters

• Formula: C25 H21 Co3 O19
• Calculated formula: C25 H21 Co3 O19
• SMILES: O1[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OCC12[Co]3(C#[O])(C#[O])(C#[O])[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O]
• Title of publication: Carbohydrates tagged with the CCo3(CO)9 cluster †
• Authors of publication: Kerr, Joy L.; Robinson, Brian H.; Simpson, Jim
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 4165
• a: 7.6191 ± 0.0015 Å
• b: 12.213 ± 0.002 Å
• c: 18.533 ± 0.004 Å
• α: 70.909 ± 0.002°
• β: 85.774 ± 0.002°
• γ: 83.702 ± 0.002°
• Cell volume: 1618.5 ± 0.5 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No