Information card for entry 2001995

Structure parameters

• Common name: sodium thiosulphate 2/3-hydrate
• Formula: H Na2 O4 S2
• Calculated formula: H1.33333 Na2 O3.66667 S2
• SMILES: [Na+].[Na+].S(=S)(=O)([O-])[O-].O
• Title of publication: Structure of a new sodium thiosulfate hydrate
• Authors of publication: Hesse, W.; Leutner, B.; Böhn, K.-H.; Walker, N. P. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 363 - 365
• a: 27.558 ± 0.005 Å
• b: 5.55 ± 0.002 Å
• c: 20.855 ± 0.003 Å
• α: 90°
• β: 108.79 ± 0.01°
• γ: 90°
• Cell volume: 3019.7 ± 1.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for all reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.0699
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.114
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No