Information card for entry 4068955

Structure parameters

• Formula: C21 H14 N2 O11 Ru4
• Calculated formula: C21 H14 N2 O11 Ru4
• SMILES: C1(N(C=CN1c1ccccc1)C)=[Ru]12(C#[O])(C#[O])[H][Ru]3(C#[O])(C#[O])(C#[O])[H][Ru](C#[O])(C#[O])(C#[O])([Ru]3(C#[O])(C#[O])(C#[O])[H]1)[H]2
• Title of publication: Reactivity of [Ru4(μ-H)4(CO)12] with N-Heterocyclic Carbenes
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; Pérez-Carreño, Enrique; Sánchez-Vega, M. Gabriela; Vázquez-García, Digna
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1832
• a: 30.6398 ± 0.0002 Å
• b: 11.2946 ± 0.0001 Å
• c: 16.2455 ± 0.0001 Å
• α: 90°
• β: 102.018 ± 0.001°
• γ: 90°
• Cell volume: 5498.77 ± 0.07 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: 0.0811
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No