Information card for entry 7719128

Structure parameters

• Formula: C H5 As F6 O3 S
• Calculated formula: C H5 As F6 O3 S
• Title of publication: Shrinking of C-S bonds of organosulfonic acids in superacidic media-investigation of the protonation of methanesulfonic acid and benzenesulfonic acid and their limits.
• Authors of publication: Bockmair, Valentin; Xu, Tong; Hollenwäger, Dirk; Kornath, Andreas J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 32
• Pages of publication: 12169 - 12179
• a: 5.1803 ± 0.0002 Å
• b: 8.1972 ± 0.0004 Å
• c: 9.2449 ± 0.0005 Å
• α: 89.865 ± 0.004°
• β: 81.005 ± 0.004°
• γ: 87.83 ± 0.004°
• Cell volume: 387.47 ± 0.03 ų
• Cell temperature: 112 ± 2 K
• Ambient diffraction temperature: 112 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No