Information card for entry 2018238

Structure parameters

• Common name: Magnesium FDA
• Chemical name: Hexaaquamagnesium(ii) (2,5-furandicarboxylate)
• Formula: C6 H14 Mg O11
• Calculated formula: C6 H14 Mg O11
• SMILES: [Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].o1c(C(=O)[O-])ccc1C(=O)[O-]
• Title of publication: Magnesium and nickel(II) furan-2,5-dicarboxylate
• Authors of publication: Schau-Magnussen, Magnus; Gorbanev, Yury Y.; Kegnæs, Søren; Riisager, Anders
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m327 - m330
• a: 6.6577 ± 0.0017 Å
• b: 18.1234 ± 0.0003 Å
• c: 18.579 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2241.7 ± 0.7 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 4
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes