Information card for entry 4080517

Structure parameters

• Formula: C31 H42 Cl N4 O3 Ru
• Calculated formula: C31 H42 Cl N4 O3 Ru
• SMILES: [Ru](=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(Cl)(=C1N(C=CN1CCOC)CCOC)C#[O]
• Title of publication: Ruthenium Carbene‒Diether Ligand Complexes: Catalysts for Hydrogenation of Olefins
• Authors of publication: Wang, Tongen; Pranckevicius, Conor; Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 7
• Pages of publication: 2168
• a: 16.7271 ± 0.0018 Å
• b: 23.182 ± 0.003 Å
• c: 33.512 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12995 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No