Information card for entry 4077594

Structure parameters

• Formula: C37 H21 N O8 Ru3
• Calculated formula: C37 H21 N O8 Ru3
• SMILES: [Ru]12([Ru]34([Ru]567(C#[O])(C#[O])([N]1=C(c1c5cccc1)c1ccccc1)[CH](=[CH]6[C]37=[C]24c1ccccc1)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: 15.759 ± 0.009 Å
• b: 10.818 ± 0.006 Å
• c: 20.824 ± 0.009 Å
• α: 90°
• β: 107.92 ± 0.06°
• γ: 90°
• Cell volume: 3378 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No