Information card for entry 2014330

Structure parameters

• Common name: glycin cobalt sulphate pentahydrate
• Chemical name: hexaaquacobalt(II) tetraaquadiglycinatocobalt(II) sulfate
• Formula: C4 H30 Co2 N2 O22 S2
• Calculated formula: C4 H30 Co2 N2 O22 S2
• SMILES: C(=O)(C[NH3+])O[Co]([OH2])([OH2])(OC(=O)C[NH3+])([OH2])[OH2].S(=O)(=O)([O-])[O-].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-]
• Title of publication: Compounds of glycine with metal sulfates and thiosulfates: glycine cobalt sulfate pentahydrate, glycine sodium thiosulfate dihydrate and glycine potassium thiosulfate
• Authors of publication: Michel Fleck; Ladislav Bohatý
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m22 - m26
• a: 5.97 ± 0.001 Å
• b: 6.775 ± 0.001 Å
• c: 13.335 ± 0.003 Å
• α: 85.23 ± 0.03°
• β: 83.31 ± 0.03°
• γ: 83.22 ± 0.03°
• Cell volume: 530.62 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0216
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No