Information card for entry 2103460

Structure parameters

• Chemical name: ammonium persulphate-d8
• Formula: H8 N2 O8 S2
• Calculated formula: H8 N2 O8 S2
• SMILES: [NH4+].[NH4+].S(=O)(=O)([O-])OOS(=O)(=O)[O-]
• Title of publication: Location of the H atoms in ammonium persulphate by deuteron NMR. Verification by X-ray diffraction
• Authors of publication: Schmidt, Thorsten; Schmitt, Heike; Zimmermann, Herbert; Haeberlen, Ulrich; Lalowicz, Zdzisław T.; Olejniczak, Zbigniew; Oeser, Thomas
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: 760 - 769
• a: 6.134 ± 0.0002 Å
• b: 7.9324 ± 0.0003 Å
• c: 7.7541 ± 0.0003 Å
• α: 90°
• β: 94.966 ± 0.001°
• γ: 90°
• Cell volume: 375.88 ± 0.02 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 K
• Number of distinct elements: 4
• 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: 0.028
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes