Information card for entry 2205888

Structure parameters

• Chemical name: Poly[[dimethanolmagnesium(II)]-μ-p-phenylenedioxydiacetato]
• Formula: C12 H16 Mg O8
• Calculated formula: C12 H16 Mg O8
• SMILES: C(=O)(COc1ccc(cc1)OCC(=O)[O-])[O-].[Mg+2].OC.OC
• Title of publication: Poly[[dimethanolmagnesium(II)]-μ-<i>p</i>-phenylenedioxydiacetato]: a three-dimensional magnesium(II) coordination polymer
• Authors of publication: Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1117 - m1119
• a: 12.07 ± 0.002 Å
• b: 7.7088 ± 0.0015 Å
• c: 7.3332 ± 0.0015 Å
• α: 90°
• β: 91.42 ± 0.03°
• γ: 90°
• Cell volume: 682.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes