Information card for entry 2216350

Structure parameters

• Chemical name: Tetraaquadiglycinemagnesium(II) hexaaquamagnesium(II) bis(sulfate)
• Formula: C4 H30 Mg2 N2 O22 S2
• Calculated formula: C4 H30 Mg2 N2 O22 S2
• SMILES: C(=O)(C[NH3+])O[Mg]([OH2])([OH2])([OH2])([OH2])OC(C[NH3+])=O.[O-]S(=O)(=O)[O-].[OH2][Mg]([OH2])([OH2])([OH2])([OH2])[OH2].[O-]S(=O)(=O)[O-]
• Title of publication: Tetraaquadiglycinemagnesium(II) hexaaquamagnesium(II) bis(sulfate)
• Authors of publication: K. Elayaraja; S. Prakash Parthiban; S. Ramalingom; G. Bocelli; S. Narayana Kalkura
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2901 - m2902
• a: 5.988 ± 0.003 Å
• b: 6.783 ± 0.002 Å
• c: 13.391 ± 0.002 Å
• α: 85.39 ± 0.02°
• β: 82.87 ± 0.02°
• γ: 82.88 ± 0.02°
• Cell volume: 534.4 ± 0.3 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: 0.0659
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes