Information card for entry 7719127

Structure parameters

• Formula: C H4 O3 S
• Calculated formula: C H4 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: 8.392 ± 0.0011 Å
• b: 5.8234 ± 0.0007 Å
• c: 8.2047 ± 0.0008 Å
• α: 90°
• β: 106.214 ± 0.012°
• γ: 90°
• Cell volume: 385.02 ± 0.08 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 4
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No