Information card for entry 4066696

Structure parameters

• Formula: C28 H20 N2 O15 Ru5
• Calculated formula: C28 H20 N2 O15 Ru5
• SMILES: c1cc(cc[n+]1C)C.C[n+]1ccc(C)cc1.[C]12(=O)[Ru]3456(C#[O])(C#[O])C(=O)[Ru]7894([C]4(=O)[Ru]%10%11%128(C(=O)[Ru]15%11(C#[O])(C#[O])([O]37%10)[Ru]2694%12(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: 9.3856 ± 0.0003 Å
• b: 39.4723 ± 0.0014 Å
• c: 9.4818 ± 0.0002 Å
• α: 90°
• β: 100.59 ± 0.002°
• γ: 90°
• Cell volume: 3452.9 ± 0.18 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: 0.1094
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No