Information card for entry 2241849

Structure parameters

• Common name: glycine zinc sulfate pentahydrate
• Chemical name: Hexaaquazinc(II) tetraaqua-diglycine zinc(II) bissulfate
• Formula: C4 H30 N2 O22 S2 Zn2
• Calculated formula: C4 H30 N2 O22 S2 Zn2
• SMILES: C(=O)(C[NH3+])O[Zn]([OH2])([OH2])([OH2])([OH2])OC(=O)C[NH3+].[O-]S(=O)(=O)[O-].[OH2][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].[O-]S(=O)(=O)[O-]
• Title of publication: Glycine zinc sulfate pentahydrate, redetermination at 10K from time-of-flight neutron Laue diffraction
• Authors of publication: Fortes, A. Dominic; Howard, Christopher M.; Wood, Ian G.; Gutmann, Matthias J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 1438 - 1445
• a: 5.9601 ± 0.0015 Å
• b: 6.767 ± 0.0017 Å
• c: 13.112 ± 0.004 Å
• α: 84.955 ± 0.018°
• β: 83.25 ± 0.02°
• γ: 83.042 ± 0.019°
• Cell volume: 519.8 ± 0.2 ų
• Cell temperature: 10 ± 2 K
• Ambient diffraction temperature: 10 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2456
• Weighted residual factors for all reflections included in the refinement: 0.2456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes