Information card for entry 2228098

Structure parameters

• Chemical name: Bis(μ-pyridine-2,4-dicarboxylato)- κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^2^;κ^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^2^- bis[triaquamagnesium(II)]
• Formula: C14 H18 Mg2 N2 O14
• Calculated formula: C14 H18 Mg2 N2 O14
• SMILES: c1(cc(C(=O)[O-])ccn1)C(=O)[O]1[Mg]([OH2])([OH2])([O]2C(=O)c3cc(C(=O)[O-])cc[n]3[Mg]12([OH2])([OH2])[OH2])[OH2]
• Title of publication: Bis(μ-pyridine-2,4-dicarboxylato)-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^2^;κ^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^2^-bis[triaquamagnesium(II)]
• Authors of publication: Zhang, Qing-Fu; Han, Dan-Dan; Pang, Jian-Dong; Meng, Ning-Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1067
• a: 7.9221 ± 0.0008 Å
• b: 12.0951 ± 0.0012 Å
• c: 20.2989 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1945 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes