Information card for entry 2312617

Structure parameters

• Common name: Calcium (2<i>R</i>,3<i>R</i>)-tartrate tetrahydrate
• Chemical name: Poly[[diaqua[μ~4~-(2<i>R</i>,3<i>R</i>)-2,3-dihydroxybutanedioato]calcium(II)] dihydrate]
• Formula: C4 H12 Ca O10
• Calculated formula: C4 H12 Ca O10
• Title of publication: Revisiting a natural wine salt: calcium (2R,3R)-tartrate tetrahydrate.
• Authors of publication: Polo, Alvaro; Soriano, Alejandro; Rodríguez, Ricardo; Macías, Ramón; García-Orduña, Pilar; Sanz Miguel, Pablo J.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 10
• a: 9.1587 ± 0.0004 Å
• b: 9.5551 ± 0.0004 Å
• c: 10.5041 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 919.24 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 for all reflections: 0.0138
• Residual factor for significantly intense reflections: 0.0137
• Weighted residual factors for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No