Information card for entry 4083927

Structure parameters

• Formula: C44 H37 Cl3 O3 P2 Ru S
• Calculated formula: C44 H37 Cl3 O3 P2 Ru S
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3S(=[O]1)(O2)=O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)=Cc1ccccc1.C(Cl)Cl
• 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: 19.161 ± 0.003 Å
• b: 10.5861 ± 0.0018 Å
• c: 21.331 ± 0.004 Å
• α: 90°
• β: 111.093 ± 0.003°
• γ: 90°
• Cell volume: 4036.9 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No