Information card for entry 4083929

Structure parameters

• Formula: C53 H44 Cl O3.5 P2 Ru S
• Calculated formula: C53 H44 Cl O3.5 P2 Ru S
• 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: 21.766 ± 0.003 Å
• b: 18.131 ± 0.003 Å
• c: 22.381 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8832 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1424
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No