Information card for entry 4066695

Structure parameters

• Formula: C32 H20 N2 O18 Ru6
• Calculated formula: C32 H20 N2 O18 Ru6
• SMILES: c1cc(cc[n+]1C)C.C[n+]1ccc(C)cc1.[C]12(=O)[Ru]345(C#[O])(C#[O])(C#[O])[Ru]6789(C(=O)[Ru]%10%1159([C]5(=O)[Ru]97%10(C#[O])(C#[O])(C#[O])[Ru]138(C6=O)(C#[O])(C#[O])[Ru]24%1159(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Trapping of Pyrid-2-ylidenes by [Ru3(CO)12]: Orthometalated Pyrid-2-ylidenes in Triruthenium Clusters
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; Pérez-Carreño, Enrique; Sánchez-Vega, M. Gabriela; Vázquez-García, Digna
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4464
• a: 11.7037 ± 0.0013 Å
• b: 12.406 ± 0.002 Å
• c: 15.407 ± 0.007 Å
• α: 75 ± 0.03°
• β: 79.79 ± 0.02°
• γ: 62.456 ± 0.014°
• Cell volume: 1911.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No