Information card for entry 2203539

Structure parameters

• Chemical name: Potassium trihydrogen 1,2,4,5-benzenetetracarboxylate trihydrate
• Formula: C10 H11 K O11
• Calculated formula: C10 H11 K O11
• SMILES: [K+].O=C(O)c1c(cc(c(c1)C(=O)O)C(=O)O)C(=O)[O-].O.O.O
• Title of publication: Potassium trihydrogen 1,2,4,5-benzenetetracarboxylate trihydrate
• Authors of publication: Wang, Chunrong; Chen, Xiaojuan; Huang, Changcang; Zhang, Hanhui; Lian, Zhaoxun; Xiao, GuangCan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m641 - m643
• a: 7.5703 ± 0.0003 Å
• b: 19.5133 ± 0.0013 Å
• c: 9.7623 ± 0.0007 Å
• α: 90°
• β: 111.273 ± 0.004°
• γ: 90°
• Cell volume: 1343.84 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0454
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes