Information card for entry 4310322

Structure parameters

• Formula: C24 H26 Co3 N O11 Ru
• Calculated formula: C24 H26 Co3 N O11 Ru
• SMILES: [Ru]12345([Co]67([Co]891([Co]12([C]36([CH]781)COCC#C)(C#[O])(C5=O)C9=O)(C#[O])C#[O])(C4=O)(C#[O])C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC
• Title of publication: Reactions of the Tetrahedral Clusters [MCo3(CO)12]- (M = Ru, Fe) with Functional Mono- and Diynes
• Authors of publication: Aldjia Choualeb; Pierre Braunstein; Jacky Rosé; Richard Welter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 57 - 71
• a: 9.766 ± 0.005 Å
• b: 11.686 ± 0.005 Å
• c: 25.695 ± 0.005 Å
• α: 90°
• β: 95.038 ± 0.005°
• γ: 90°
• Cell volume: 2921 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0733
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 0.714
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No