Information card for entry 2206693

Structure parameters

• Common name: glycine magnesium nitrate tetrahydrate
• Chemical name: catena-Poly[[[tetraaquamagnesium(II)]-μ-glycine-κ^2^O:O'] dinitrate]
• Formula: C2 H13 Mg N3 O12
• Calculated formula: C2 H13 Mg N3 O12
• SMILES: [Mg](OC(=O)C[NH3+])([OH2])([OH2])([OH2])([OH2])[O]=C(O[Mg]([OH2])([OH2])([OH2])[OH2])C[NH3+].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[tetraaquamagnesium(II)]-μ-glycine-κ^2^<i>O</i>:<i>O</i>'] dinitrate]
• Authors of publication: Michel Fleck; Ladislav Bohatý
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1887 - m1889
• a: 9.23 ± 0.002 Å
• b: 6.779 ± 0.001 Å
• c: 19.052 ± 0.004 Å
• α: 90°
• β: 96.57 ± 0.03°
• γ: 90°
• Cell volume: 1184.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes