Information card for entry 7017260

Structure parameters

• Common name: Sodium p-toluenethiosulfonate
• Formula: C7 H7 Na O2 S2
• Calculated formula: C7 H7 Na O2 S2
• Title of publication: Sodium thiosulfonate salts: Molecular and supramolecular structural features and solution radiolytic properties.
• Authors of publication: Fischmann, Adam J.; Spiccia, Leone
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12310 - 12319
• a: 7.2976 ± 0.0005 Å
• b: 9.6537 ± 0.0007 Å
• c: 12.7994 ± 0.001 Å
• α: 90°
• β: 94.058 ± 0.004°
• γ: 90°
• Cell volume: 899.44 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No