Information card for entry 2014017

Structure parameters

• Common name: Glycine lithium sulfate
• Formula: C2 H5 Li2 N O6 S
• Calculated formula: C2 H5 Li2 N O6 S
• SMILES: S(=O)(=O)([O-])[O-].[Li+].[Li+].C(=O)([O-])C[NH3+]
• Title of publication: Three novel non-centrosymmetric compounds of glycine: glycine lithium sulfate, glycine nickel dichloride dihydrate and glycine zinc sulfate trihydrate
• Authors of publication: Michel Fleck; Ladislav Bohatý
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m291 - m295
• a: 16.423 ± 0.003 Å
• b: 5.005 ± 0.001 Å
• c: 7.654 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 629.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.066
• 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: Yes