Information card for entry 2200324

Structure parameters

• Chemical name: Octaaquabis[dihydrogen 1,2,4,5-benzenetetracarboxylate(2-)]dissodium(I)zinc(II) dihydrate
• Formula: C20 H28 Na2 O26 Zn
• Calculated formula: C20 H28 Na2 O26 Zn
• SMILES: c1c(C(=O)[O-])c(cc(c1C(=O)[O-])C(=O)O)C(=O)O.[Na+].[OH2][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.c1c(C(=O)[O-])c(cc(c1C(=O)[O-])C(=O)O)C(=O)O.[Na+].O.O
• Title of publication: Octaaquabis[dihydrogen 1,2,4,5-benzenetetracarboxylate(2‒)]disodium(I)zinc(II) dihydrate
• Authors of publication: Chuan-De Wu; Ding-Ming Wu; Can-Zhong Lu; Jin-Shun Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: m253 - m255
• a: 7.2861 ± 0.0015 Å
• b: 20.179 ± 0.004 Å
• c: 10.453 ± 0.002 Å
• α: 90°
• β: 103.47 ± 0.03°
• γ: 90°
• Cell volume: 1494.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes