Information card for entry 4083930

Structure parameters

• Formula: C51 H38 O6 P2 Ru S2
• Calculated formula: C51 H38 O6 P2 Ru S2
• SMILES: [Ru]234([P](c5c(S(=[O]2)(O3)=O)cccc5)(c1ccccc1)c1ccccc1)([P](c1c(S(=O)(=O)O4)cccc1)(c1ccccc1)c1ccccc1)=C=C=C(c1ccccc1)c1ccccc1
• 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: 10.3632 ± 0.0008 Å
• b: 11.2217 ± 0.0009 Å
• c: 11.5003 ± 0.0009 Å
• α: 117.744 ± 0.001°
• β: 107.588 ± 0.001°
• γ: 95.622 ± 0.001°
• Cell volume: 1082.24 ± 0.15 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No