Information card for entry 4064463

Structure parameters

• Formula: C31 H36 F3 O4 P Ru
• Calculated formula: C31 H36 F3 O4 P Ru
• SMILES: [Ru]12([P](c3c(O1)cccc3)(C(C)(C)C(C)(C)C)c1ccccc1)([O](c1ccccc1C=2)C(C)C)OC(=O)C(F)(F)F
• Title of publication: Non-innocent Character of Oxyanions in Ruthenium Metathesis Catalysts
• Authors of publication: Jović, Marija; Torker, Sebastian; Chen, Peter
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 3971
• a: 10.0741 ± 0.0002 Å
• b: 19.8093 ± 0.0004 Å
• c: 15.2985 ± 0.0003 Å
• α: 90°
• β: 103.056 ± 0.0009°
• γ: 90°
• Cell volume: 2974.06 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0522
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No