Information card for entry 2013721

Structure parameters

• Chemical name: hexaaquamagnesium(II) benzene-1,2,4,5-tetracarboxylate(2-)
• Formula: C10 H16 Mg O14
• Calculated formula: C10 H16 Mg O14
• SMILES: c1c(c(cc(c1C(=O)O)C(=O)[O-])C(=O)O)C(=O)[O-].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Group 2 metal salts of pyromellitic acid: [Mg(H~2~O)~6~](C~10~H~4~O~8~) and [Ba(C~10~H~4~O~8~)(H~2~O)~5~]
• Authors of publication: Dale, Sophie H.; Elsegood, Mark R. J.; Kainth, Sarita
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m505 - m508
• a: 6.447 ± 0.003 Å
• b: 9.942 ± 0.004 Å
• c: 6.455 ± 0.003 Å
• α: 90°
• β: 115.148 ± 0.007°
• γ: 90°
• Cell volume: 374.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 10
• Hermann-Mauguin space group symbol: P 1 2/m 1
• Hall space group symbol: -P 2y
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No