Information card for entry 7719129

Structure parameters

• Formula: C6 H7 As F8 O2 S
• Calculated formula: C6 H7 As F8 O2 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: 6.3849 ± 0.0005 Å
• b: 7.6714 ± 0.0005 Å
• c: 12.4126 ± 0.0011 Å
• α: 100.065 ± 0.006°
• β: 103.488 ± 0.007°
• γ: 93.533 ± 0.006°
• Cell volume: 578.78 ± 0.08 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: 0.1381
• Residual factor for significantly intense reflections: 0.1323
• Weighted residual factors for significantly intense reflections: 0.3509
• Weighted residual factors for all reflections included in the refinement: 0.3532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No