Information card for entry 4117255

Structure parameters

• Formula: C32 H41 N3 O4 Ru
• Calculated formula: C32 H41 N3 O4 Ru
• SMILES: [Ru]123([O](c4c(C=3)cccc4)C(C)C)(ON(=[O]1)=O)=C1N(CCN1c1c(cc(cc1C)C)C)C13C[C@@H]4C[C@H](C1)CC(C4)[C@@H]23.[Ru]123([O](c4c(C=3)cccc4)C(C)C)(ON(=[O]1)=O)=C1N(CCN1c1c(cc(cc1C)C)C)C13C[C@H]4C[C@@H](C1)CC(C4)[C@H]23
• Title of publication: Improved Ruthenium Catalysts for Z-Selective Olefin Metathesis
• Authors of publication: Benjamin K. Keitz; Koji Endo; Paresma R. Patel; Myles B. Herbert; Robert H. Grubbs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 693 - 699
• a: 10.3252 ± 0.0005 Å
• b: 24.9121 ± 0.0013 Å
• c: 11.3554 ± 0.0006 Å
• α: 90°
• β: 91.982 ± 0.003°
• γ: 90°
• Cell volume: 2919.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.778
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No