Information card for entry 2108566

Structure parameters

• Common name: Sodium Saccharinate 1.875-Hydrate
• Chemical name: Sodium Saccharinate 1.875-Hydrate
• Formula: C7 H7.75 N Na O4.875 S
• Calculated formula: C7 H7.57861 N Na O4.875 S
• Title of publication: On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace
• Authors of publication: Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 1
• a: 18.6212 ± 0.0001 Å
• b: 28.4622 ± 0.0002 Å
• c: 29.1642 ± 0.0002 Å
• α: 90°
• β: 93.4511 ± 0.0006°
• γ: 90°
• Cell volume: 15429 ± 0.17 ų
• Cell temperature: 95 K
• Ambient diffraction temperature: 95 K
• Number of distinct elements: 6
• 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: 0.0787
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for significantly intense reflections: 1.8
• Goodness-of-fit parameter for all reflections included in the refinement: 1.57
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56089 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes