Information card for entry 4068956

Structure parameters

• Formula: C27 H10 N2 O17 Ru7
• Calculated formula: C27 H10 N2 O17 Ru7
• SMILES: C12N(C=CN1C)[c]13[c]45[cH]6[cH]7[cH]8[cH]1[Ru]19%10%1135678[C]356=[O][Ru]76(C#[O])(C#[O])(C#[O])[Ru]68%12%1393(C(=O)[Ru]16(C#[O])(C#[O])([Ru]=24(C#[O])(C#[O])C#[O])[Ru]12%108(C(=O)[Ru]%1157%121(C#[O])(C#[O])[H]%132)(C#[O])C#[O])(C#[O])C#[O]
• 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: 16.8183 ± 0.0005 Å
• b: 13.2795 ± 0.0005 Å
• c: 19.0421 ± 0.0006 Å
• α: 90°
• β: 108.59 ± 0.003°
• γ: 90°
• Cell volume: 4030.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1257
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.2127
• Weighted residual factors for all reflections included in the refinement: 0.2478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No