Information card for entry 4079288

Structure parameters

• Formula: C22 H13 N3 O8 Ru3
• Calculated formula: C22 H13 N3 O8 Ru3
• SMILES: C12N(C=CN1C13c4cccc5ccc[n](c45)[Ru]4156(C#[O])(C#[O])[H][Ru]35(C#[O])(C#[O])(C#[O])[Ru]=24([H]6)(C#[O])(C#[O])C#[O])C
• Title of publication: Reactivity of a Quinoline-Tethered N-Heterocyclic Carbene with Polynuclear Ruthenium Carbonyls
• Authors of publication: Cabeza, Javier A.; Damonte, Marina; Pérez-Carre Enrique
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8114
• a: 10.326 ± 0.0002 Å
• b: 14.5123 ± 0.0002 Å
• c: 15.9712 ± 0.0002 Å
• α: 90°
• β: 97.268 ± 0.001°
• γ: 90°
• Cell volume: 2374.12 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0369
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No