Information card for entry 2213506

Structure parameters

• Chemical name: Triaqua(pyridine-2,6-dicarboxylato)magnesium(II) dihydrate
• Formula: C7 H13 Mg N O9
• Calculated formula: C7 H13 Mg N O9
• SMILES: [Mg]12([n]3c(C(=O)O1)cccc3C(=O)O2)([OH2])([OH2])[OH2].O.O
• Title of publication: Triaqua(pyridine-2,6-dicarboxylato)magnesium(II) dihydrate
• Authors of publication: Aghabozorg, Hossein; Ghasemikhah, Pouya; Ghadermazi, Mohammad; Soleimannejad, Janet; Adams, Harry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1487 - m1489
• a: 8.9229 ± 0.0007 Å
• b: 9.9459 ± 0.0008 Å
• c: 13.2508 ± 0.001 Å
• α: 90°
• β: 97.383 ± 0.004°
• γ: 90°
• Cell volume: 1166.21 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0295
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes