Information card for entry 2014019

Structure parameters

• Common name: Glycine zinc sulfate trihydrate
• Formula: C2 H11 N O9 S Zn
• Calculated formula: C2 H11 N O9 S Zn
• SMILES: [Zn](OS(=O)(=O)[O-])(OC(=O)C[NH3+])([OH2])([OH2])([OH2])[O]=C(O[Zn](OS(=O)(=O)[O-])([OH2])([OH2])[OH2])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: 8.44 ± 0.002 Å
• b: 8.278 ± 0.002 Å
• c: 12.521 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 874.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No