Information card for entry 2230933

Structure parameters

• Chemical name: Bis(tetramethylammonium) thiosulfate tetrahydrate
• Formula: C8 H32 N2 O7 S2
• Calculated formula: C8 H32 N2 O7 S2
• SMILES: S(=O)(=O)([S])[O-].O.O.O.O.[N+](C)(C)(C)C.[N+](C)(C)(C)C
• Title of publication: Bis(tetramethylammonium) thiosulfate tetrahydrate
• Authors of publication: Yang, Yun-Xia; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1664
• a: 8.1869 ± 0.0001 Å
• b: 15.4342 ± 0.0002 Å
• c: 14.0867 ± 0.0002 Å
• α: 90°
• β: 94.074 ± 0.001°
• γ: 90°
• Cell volume: 1775.47 ± 0.04 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes