Information card for entry 4076761

Structure parameters

• Common name: [Ph2SiOSO2CF3]
• Formula: C19 H15 F3 O3 S Si
• Calculated formula: C19 H15 F3 O3 S Si
• SMILES: S(=O)(=O)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
• Title of publication: Reactions of a Highly Crowded Triorganotin Iodide with Silver Salts. Migration of a Methyl Group from Silicon to Tin within a Cation
• Authors of publication: Asadi, Ashrafolmolouk; Avent, Anthony G.; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 11
• Pages of publication: 2183
• a: 10.3023 ± 0.0004 Å
• b: 9.0227 ± 0.0006 Å
• c: 20.3428 ± 0.0012 Å
• α: 90°
• β: 91.934 ± 0.004°
• γ: 90°
• Cell volume: 1889.88 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No