Information card for entry 2201717

Structure parameters

• Chemical name: Imidazolium trihydrogen 1,2,4,5-benzenetetracarboxylate
• Formula: C13 H10 N2 O8
• Calculated formula: C13 H10 N2 O8
• SMILES: OC(=O)c1c(cc(c(c1)C(=O)[O-])C(=O)O)C(=O)O.c1[nH+]cc[nH]1
• Title of publication: Imidazolium trihydrogen-1,2,4,5-benzenetetracarboxylate
• Authors of publication: Yan-Qiong Sun; Jie Zhang; Guo-Yu Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1100 - o1102
• a: 7.6045 ± 0.0012 Å
• b: 9.6885 ± 0.0015 Å
• c: 9.7991 ± 0.0016 Å
• α: 88.804 ± 0.002°
• β: 69.069 ± 0.002°
• γ: 72.853 ± 0.002°
• Cell volume: 641.46 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes