Information card for entry 2015033

Structure parameters

• Common name: Glycine magnesium(II) dichloride tetrahydrate
• Chemical name: catena-Poly[[[tetraaquamagnesium(II)]-μ-glycine] dichloride]
• Formula: C2 H13 Cl2 Mg N O6
• Calculated formula: C2 H13 Cl2 Mg N O6
• SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Mg]([OH2])([OH2])([OH2])([OH2])OC(C[NH3+])=[O][Mg](OC(=O)C[NH3+])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Two novel glycine metal halogenides: <i>catena</i>-poly[[[diaquanickel(II)]-di-μ-glycine] dibromide] and <i>catena</i>-poly[[[tetraaquamagnesium(II)]-μ-glycine] dichloride]
• Authors of publication: Michel Fleck; Ladislav Bohatý
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m412 - m416
• a: 10.587 ± 0.002 Å
• b: 12.899 ± 0.003 Å
• c: 7.714 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1053.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes