Information card for entry 4070721

Structure parameters

• Formula: C72 H74 N4 O18 Ru6
• Calculated formula: C72 H74 N4 O18 Ru6
• SMILES: c1n(cc[n+]1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.c1n(cc[n+]1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.C1(=O)[Ru]2345(C#[O])(C#[O])C(=O)[Ru]6782(C#[O])(C#[O])[C]2(=O)[Ru]936(C#[O])(C#[O])(C#[O])[Ru]3672([C]2(=O)[Ru]483(C#[O])(C#[O])(C#[O])[Ru]15962(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: 10.5169 ± 0.0002 Å
• b: 14.003 ± 0.0002 Å
• c: 27.2135 ± 0.0004 Å
• α: 87.424 ± 0.001°
• β: 87.675 ± 0.001°
• γ: 86 ± 0.001°
• Cell volume: 3991.06 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No