Information card for entry 4331229

Structure parameters

• Formula: C23 H26 Cl2 F3 O4 P S Si
• Calculated formula: C23 H26 Cl2 F3 O4 P S Si
• SMILES: [P+](O[Si](C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: Diverse Reactions of PhI(OTf)2 with Common 2-Electron Ligands: Complex Formation, Oxidation, and Oxidative Coupling
• Authors of publication: Thomas P. Pell; Shannon A. Couchman; Sara Ibrahim; David J. D. Wilson; Brian J. Smith; Peter J. Barnard; Jason L. Dutton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13034 - 13040
• a: 7.8594 ± 0.0016 Å
• b: 10.785 ± 0.002 Å
• c: 16.731 ± 0.003 Å
• α: 78.47 ± 0.03°
• β: 89.5 ± 0.03°
• γ: 84.91 ± 0.03°
• Cell volume: 1384 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2459
• Weighted residual factors for all reflections included in the refinement: 0.2646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No