Information card for entry 2217854

Structure parameters

• Common name: Rochelle salt
• Chemical name: Potassium sodium (2R,3R)-tartrate tetrahydrate
• Formula: C4 H12 K Na O10
• Calculated formula: C4 H12 K Na O10
• SMILES: [K+].[Na+].[O-]C(=O)[C@H](O)[C@@H](O)C(=O)[O-].O.O.O.O
• Title of publication: Potassium sodium (2<i>R</i>,3<i>R</i>)-tartrate tetrahydrate: the paraelectric phase of Rochelle salt at 105 K
• Authors of publication: Görbitz, Carl Henrik; Sagstuen, Einar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m507 - m508
• a: 11.7859 ± 0.0006 Å
• b: 14.1972 ± 0.0007 Å
• c: 6.1875 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1035.33 ± 0.09 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes