Information card for entry 2228444

Structure parameters

• Chemical name: Hexaaquamagnesium(II) bis(pyridinium-2,6-dicarboxylate)
• Formula: C14 H20 Mg N2 O14
• Calculated formula: C14 H20 Mg N2 O14
• SMILES: c1cc(C(=O)[O-])[nH+]c(c1)C(=O)[O-].[OH2][Mg]([OH2])([OH2])[OH2].O.c1cc(C(=O)[O-])[nH+]c(c1)C(=O)[O-].O
• Title of publication: Hexaaquamagnesium(II) bis(pyridinium-2,6-dicarboxylate)
• Authors of publication: Pasdar, Hoda; Heidari, Sanaz; Aghabozorg, Hossein; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1581
• a: 13.432 ± 0.003 Å
• b: 11.108 ± 0.002 Å
• c: 6.5845 ± 0.0013 Å
• α: 90°
• β: 92.79 ± 0.03°
• γ: 90°
• Cell volume: 981.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes