Information card for entry 1552958

Structure parameters

• Common name: Rochelle Salt
• Chemical name: Potassium sodium tartrate tetrahydrate
• Formula: C4 H12 K Na O10
• Calculated formula: C4 H12 K Na O10
• SMILES: C(=O)([C@@H]([C@H](C(=O)[O-])O)O)[O-].[Na+].O.[K+].O.O.O
• Title of publication: 3D Printed Micrometer-Scale Polymer Mounts for Single Crystal Analysis.
• Authors of publication: Macdonald, Niall P.; Bunton, Grace L.; Park, Ah Young; Breadmore, Michael C.; Kilah, Nathan L.
• Journal of publication: Analytical chemistry
• Year of publication: 2017
• Journal volume: 89
• Journal issue: 8
• Pages of publication: 4405 - 4408
• a: 11.7708 ± 0.0004 Å
• b: 14.2037 ± 0.0005 Å
• c: 6.1841 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1033.91 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0185
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No