Information card for entry 4080511

Structure parameters

• Formula: C55 H67 Cl N2 O2 P2 Ru
• Calculated formula: C55 H67 Cl N2 O2 P2 Ru
• SMILES: [RuH](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(C=CN1CCOC(C)(C)C(C)C)CCOC(C)(C)C(C)C
• 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: 10.8308 ± 0.0008 Å
• b: 11.4714 ± 0.0008 Å
• c: 21.7185 ± 0.0016 Å
• α: 79.62 ± 0.004°
• β: 83.685 ± 0.004°
• γ: 71.402 ± 0.004°
• Cell volume: 2511.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No