Information card for entry 4070722

Structure parameters

• Formula: C32 H24 N2 O11 Ru3
• Calculated formula: C32 H24 N2 O11 Ru3
• SMILES: C1(N(C=CN1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)=[Ru]12(C#[O])(C#[O])(C#[O])C(=O)[Ru]1(C#[O])(C#[O])(C#[O])[Ru]2(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Reactivity of N-Heterocyclic Carbenes with [Ru3(CO)12] and [Os3(CO)12]. Influence of Ligand Volume and Electronic Effects
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; Miguel, Daniel; Pérez-Carreño, Enrique; Sánchez-Vega, M. Gabriela
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 211
• a: 13.6171 ± 0.0001 Å
• b: 15.1982 ± 0.00009 Å
• c: 16.7505 ± 0.0001 Å
• α: 90°
• β: 90.604 ± 0.001°
• γ: 90°
• Cell volume: 3466.41 ± 0.04 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No