Information card for entry 3500039

Structure parameters

• Formula: C4 H5 Ca O6
• Calculated formula: C4 Ca O6
• SMILES: [O-]C(=O)[C@H](O)[C@@H](O)C(=O)[O-].[Ca+2]
• Title of publication: Calcium tartrate anhydrous form I
• Authors of publication: Armel Le Bail
• Journal of publication: Personal communication to COD
• Year of publication: 2016
• a: 6.86394 Å
• b: 7.76619 Å
• c: 12.06935 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 643.377 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor R(I) for significantly intense reflections: 10.2796
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: X-ray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes