Information card for entry 4077592

Structure parameters

• Formula: C39 H25 N O10 Ru3
• Calculated formula: C39 H25 N O10 Ru3
• SMILES: [Ru]123([Ru]45([Ru]67(C#[O])(C#[O])([CH](=[C]46[C]15=[CH]2COc1ccccc1)COc1ccccc1)[N]3=C(c1c7cccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(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: 19.668 ± 0.008 Å
• b: 9.327 ± 0.008 Å
• c: 20.967 ± 0.009 Å
• α: 90°
• β: 106.42 ± 0.03°
• γ: 90°
• Cell volume: 3689 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No