Information card for entry 4500165

Structure parameters

• Common name: Dilithium meso-tartrate
• Formula: C4 H4 Li2 O6
• Calculated formula: C4 H4 Li2 O6
• Title of publication: Structural Diversity and Energetics in Anhydrous Lithium Tartrates: Experimental and Computational Studies of Novel Chiral Polymorphs and Their Racemic and Meso Analogues
• Authors of publication: Yeung, Hamish H.-M.; Kosa, Monica; Parrinello, Michele; Forster, Paul M.; Cheetham, Anthony K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 221
• a: 6.0522 ± 0.0009 Å
• b: 5.3351 ± 0.0008 Å
• c: 9.8636 ± 0.0014 Å
• α: 90°
• β: 100.474 ± 0.009°
• γ: 90°
• Cell volume: 313.18 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.1059
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No