Information card for entry 4083928

Structure parameters

• Formula: C43 H47 Cl O3 P2 Ru S
• Calculated formula: C43 H47 Cl O3 P2 Ru S
• SMILES: [Ru]12(Cl)([O]=S(O1)(=O)c1ccccc1[P]2(C1CCCCC1)C1CCCCC1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)=Cc1ccccc1
• Title of publication: 18-Electron Ruthenium Phosphine Sulfonate Catalysts for Olefin Metathesis
• Authors of publication: Bashir, Oumar; Piche, Laurence; Claverie, Jerome P.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 14
• Pages of publication: 3695
• a: 11.0027 ± 0.0013 Å
• b: 18.219 ± 0.002 Å
• c: 20.224 ± 0.002 Å
• α: 90°
• β: 103.296 ± 0.002°
• γ: 90°
• Cell volume: 3945.4 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0903
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No