Information card for entry 2214218

Structure parameters

• Chemical name: Diaquabis(quinoline-2-carboxylato-κ^2^N,O)magnesium(II) dihydrate methanol disolvate
• Formula: C22 H28 Mg N2 O10
• Calculated formula: C22 H28 Mg N2 O10
• SMILES: c12ccccc1ccc([n]21)C(=O)O[Mg]12(OC(=O)c1ccc3c(cccc3)[n]12)([OH2])[OH2].O.OC.O.OC
• Title of publication: Diaquabis(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)magnesium(II) dihydrate methanol disolvate
• Authors of publication: Xi-Shi Tai; Jie Yin; Ming-Yang Hao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1850 - m1850
• a: 7.129 ± 0.003 Å
• b: 9.038 ± 0.003 Å
• c: 10.846 ± 0.004 Å
• α: 75.677 ± 0.005°
• β: 74.138 ± 0.005°
• γ: 70.16 ± 0.005°
• Cell volume: 623 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No