Information card for entry 2101020

Structure parameters

• Formula: C8 H13 Ca Na2 O13
• Calculated formula: C8 H12 Ca Na2 O13
• SMILES: [C@H](O[C@@H](C(=O)[O-])CC(=O)[O-])(C(=O)[O-])[C@H](C(=O)[O-])O.[Na+].[Na+].[Ca+2].O.O.O.[C@@H](O[C@H](C(=O)[O-])CC(=O)[O-])(C(=O)[O-])[C@@H](C(=O)[O-])O.[Na+].[Na+].[Ca+2].O.O.O
• Title of publication: Structure of disodium monocalcium tartrate monosuccinate trihydrate, Na~2~(CaTMS).3H~2~O
• Authors of publication: Emge, T. J.; Oliver, J. D.; Connor, D. S.; Thoman, S. M.; Jason, M. E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 675 - 679
• a: 7.989 ± 0.001 Å
• b: 16.543 ± 0.002 Å
• c: 11.416 ± 0.001 Å
• α: 90°
• β: 106.48 ± 0.01°
• γ: 90°
• Cell volume: 1446.8 ± 0.3 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No