Information card for entry 4077593

Structure parameters

• Formula: C28 H17 N O9 Ru3
• Calculated formula: C28 H17 N O9 Ru3
• SMILES: [Ru]1(C#[O])(C#[O])(C#[O])[N]2[Ru]34([Ru]5(C#[O])(C#[O])(C#[O])[C]4([CH]3=[CH](c3c(C=2c2ccccc2)cccc3)C)=[C]15C)(C#[O])(C#[O])C#[O]
• Title of publication: Reactivity of Diynes with a 1-Azavinylidene-Bridged Triruthenium Carbonyl Cluster. Insertion Reactions of Diynes into Ru−H, Ru−C, and Ru−N Bonds
• Authors of publication: Cabeza, Javier A.; Grepioni, Fabrizia; Moreno, Marta; Riera, Víctor
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 25
• Pages of publication: 5424
• a: 10.106 ± 0.004 Å
• b: 14.643 ± 0.009 Å
• c: 18.88 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2794 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.369
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No