Information card for entry 4063906

Structure parameters

• Formula: C28 H19 N2 O10 P Ru3
• Calculated formula: C28 H19 N2 O10 P Ru3
• SMILES: C12N(C=CN1C)CC[P](c1ccccc1)(c1ccccc1)[Ru]1(C#[O])(C#[O])(C#[O])[Ru]=2(C#[O])(C#[O])(C#[O])[Ru]1(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Reactivity of [Ru3(CO)12] with a Phosphine-Functionalized Imidazol-2-ylidene and Its Imidazolium Salt
• Authors of publication: Cabeza, Javier A.; Damonte, Marina; García-Álvarez, Pablo; Kennedy, Alan R.; Pérez-Carreño, Enrique
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 826
• a: 11.5695 ± 0.0001 Å
• b: 15.2004 ± 0.0001 Å
• c: 17.9373 ± 0.0001 Å
• α: 90°
• β: 105.22 ± 0.001°
• γ: 90°
• Cell volume: 3043.83 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No