Information card for entry 4517813

Structure parameters

• Formula: C17 H34 F3 N O3 S Sn
• Calculated formula: C17 H34 F3 N O3 S Sn
• Title of publication: Establishing the Role of Triflate Anions in H2 Activation by a Cationic Triorganotin(IV) Lewis Acid
• Authors of publication: Sapsford, Joshua S.; Csókás, Dániel; Scott, Daniel J.; Turnell-Ritson, Roland C.; Piascik, Adam D.; Pápai, Imre; Ashley, Andrew E.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 7573 - 7583
• a: 9.7228 ± 0.0002 Å
• b: 15.7107 ± 0.0004 Å
• c: 14.334 ± 0.0003 Å
• α: 90°
• β: 92.744 ± 0.002°
• γ: 90°
• Cell volume: 2187.04 ± 0.09 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0428
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No