Information card for entry 2216752

Structure parameters

• Chemical name: Sodium benzenesulfonothioate
• Formula: C6 H5 Na O2 S2
• Calculated formula: C6 H5 Na O2 S2
• Title of publication: Sodium benzenesulfonothioate
• Authors of publication: Rothenberger, Alexander; Langer, Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3093 - m3093
• a: 9.5579 ± 0.001 Å
• b: 7.0127 ± 0.0008 Å
• c: 24.231 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1624.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Cell measurement pressure: 100 kPa
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes