Information card for entry 2235403

Structure parameters

• Chemical name: Poly[[hexa-μ-aqua-diaquabis(μ~4~-dihydrogen benzene-1,2,4,5-tetracarboxylato)magnesium(II)disodium] dihydrate]
• Formula: C20 H28 Mg Na2 O26
• Calculated formula: C20 H28 Mg Na2 O26
• SMILES: c1c(c(cc(c1C(=O)O)C(=O)[O-])C(=O)[O-])C(=O)O.[Na+].[Na+].[OH2][Mg]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.c1c(c(cc(c1C(=O)O)C(=O)[O-])C(=O)[O-])C(=O)O.O.O
• Title of publication: Poly[[hexa-μ-aqua-diaquabis(μ~4~-dihydrogen benzene-1,2,4,5-tetracarboxylato)magnesiumdisodium] dihydrate]
• Authors of publication: Zhao, Dan; Liang, Peng; Li, Yan-Feng; Qiu, Sen; Ren, Jun-Ran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m902
• a: 7.3335 ± 0.0013 Å
• b: 20.155 ± 0.004 Å
• c: 10.445 ± 0.0018 Å
• α: 90°
• β: 103.325 ± 0.003°
• γ: 90°
• Cell volume: 1502.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes