Information card for entry 2225126

Structure parameters

• Chemical name: poly[aqua(μ~4~-hydrogen tartrato)sodium]
• Formula: C4 H7 Na O7
• Calculated formula: C4 H7 Na O7
• SMILES: [Na+].OC(=O)[C@@H](O)[C@H](O)C(=O)[O-].O.[Na+].OC(=O)[C@H](O)[C@@H](O)C(=O)[O-].O
• Title of publication: Monoclinic polymorph of poly[aqua(μ~4~-hydrogen tartrato)sodium]
• Authors of publication: Al-Dajani, Mohammad T. M.; Abdallah, Hassan H.; Mohamed, Nornisah; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m138 - m139
• a: 8.9723 ± 0.0002 Å
• b: 7.1457 ± 0.0001 Å
• c: 12.0186 ± 0.0002 Å
• α: 90°
• β: 119.571 ± 0.001°
• γ: 90°
• Cell volume: 670.18 ± 0.02 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes