Information card for entry 2242020

Structure parameters

• Chemical name: Sodium pentapotassium dichloride bis(dithionate)
• Formula: Cl2 K5 Na O12 S4
• Calculated formula: Cl2 K5 Na O12 S4
• SMILES: [O-]S(=O)(=O)S(=O)(=O)[O-].[Na+].[O-]S(S(=O)(=O)[O-])(=O)=O.[K+].[K+].[K+].[K+].[K+].[Cl-].[Cl-]
• Title of publication: An unexpected oxidation: NaK~5~Cl~2~(S~2~O~6~)~2~ revisited
• Authors of publication: Harrison, William T. A.; Plater, M. John
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 188 - 191
• a: 12.0421 ± 0.0001 Å
• b: 12.0421 ± 0.0001 Å
• c: 11.3925 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1652.05 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0162
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes