Information card for entry 4067043

Structure parameters

• Formula: C50 H62 Cl2 N2 O7 Ru S2
• Calculated formula: C50 H62 Cl2 N2 O7 Ru S2
• SMILES: [Ru]1([O](c2c(C=1)cccc2)C(C)C)(OS(=O)(=O)c1c(cc(cc1C)C)C)(OS(=O)(=O)c1c(cc(cc1C)C)C)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(Cl)Cl
• Title of publication: Facile Synthesis of Effcient and Selective Ruthenium Olefin Metathesis Catalysts with Sulfonate and Phosphate Ligands
• Authors of publication: Teo, Peili; Grubbs, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 6045
• a: 42.4711 ± 0.0019 Å
• b: 10.8253 ± 0.0005 Å
• c: 23.4557 ± 0.0011 Å
• α: 90°
• β: 115.674 ± 0.002°
• γ: 90°
• Cell volume: 9719.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.688
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No