Information card for entry 4076244

Structure parameters

• Formula: C51 H51 N2 O2 P Ru
• Calculated formula: C51 H51 N2 O2 P Ru
• SMILES: [RuH]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)(=C5N(C=CN5c5c(cc(cc5C)C)C)c5c(cc(cc5C)C)C)[CH]5=[CH]4C(=O)[CH]1=[CH]2C35.Oc1ccccc1
• 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: 15.095 ± 0.0002 Å
• b: 11.032 ± 0.0002 Å
• c: 26.21 ± 0.0004 Å
• α: 90°
• β: 105.674 ± 0.0007°
• γ: 90°
• Cell volume: 4202.4 ± 0.12 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: 0.0648
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No