Information card for entry 4076243

Structure parameters

• Formula: C46 H47 N2 O4 P Ru
• Calculated formula: C46 H47 N2 O4 P Ru
• SMILES: [Ru]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O1CCCC1
• Title of publication: Coordinatively Unsaturated Hydridoruthenium(II) Complexes of N-Heterocyclic Carbenes
• Authors of publication: Abdur-Rashid, Kamaluddin; Fedorkiw, Terry; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 86
• a: 11.277 ± 0.0009 Å
• b: 12.446 ± 0.001 Å
• c: 29.068 ± 0.003 Å
• α: 90°
• β: 96.445 ± 0.003°
• γ: 90°
• Cell volume: 4054 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 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: 0.1827
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.2206
• Weighted residual factors for all reflections included in the refinement: 0.2536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No