Information card for entry 4310326

Structure parameters

• Formula: C33 H46 Co3 N O10 Ru Si
• Calculated formula: C33 H46 Co3 N O10 Ru Si
• SMILES: [Ru]12345([Co]678([Co]91([Co]12([C]36(C#C)=[C]891[Si](C)(C)C)(C#[O])(C5=O)C#[O])(C7=O)(C#[O])C#[O])(C4=O)C#[O])(C#[O])C#[O].[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 10.534 ± 0.001 Å
• b: 14.5 ± 0.001 Å
• c: 26.686 ± 0.001 Å
• α: 87.389 ± 0.005°
• β: 87.001 ± 0.005°
• γ: 86.167 ± 0.005°
• Cell volume: 4057.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1634
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No