Information card for entry 4310321

Structure parameters

• Formula: C23 H26 Co3 N O10 Ru
• Calculated formula: C23 H26 Co3 N O10 Ru
• SMILES: [Ru]12345([Co]678([Co]9%101([Co]12(C9=O)(C4=O)(C#[O])[CH]7%10=[C]581C(=C)C)(C6=O)(C#[O])C#[O])(C3=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: 12.037 ± 0.004 Å
• b: 18.318 ± 0.005 Å
• c: 13.362 ± 0.004 Å
• α: 90°
• β: 100.958 ± 0.008°
• γ: 90°
• Cell volume: 2892.5 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No