Information card for entry 2019318

Structure parameters

• Common name: 2,2'-Biimidazole-3,3'-diium 2,5-dicarboxybenzene-1,4-dicarboxylate
• Chemical name: 2-(Imidazol-1-ium-2-yl)imidazol-1-ium 2,5-dicarboxybenzene-1,4-dicarboxylate
• Formula: C16 H12 N4 O8
• Calculated formula: C16 H12 N4 O8
• SMILES: c1c[nH+]c([nH]1)c1[nH]cc[nH+]1.O=C(O)c1cc(C(=O)[O-])c(C(=O)O)cc1C(=O)[O-]
• Title of publication: Two-dimensional hydrogen-bonded supramolecular networks in the compounds of benzene-1,2,4,5-tetracarboxylic acid (pyromellitic acid) with 2,2'-biimidazole and 4,4'-dimethyl-2,2'-bipyridine
• Authors of publication: Zhong, Kai-Long
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: 1537 - 1540
• a: 8.2246 ± 0.0016 Å
• b: 8.7495 ± 0.0017 Å
• c: 11.454 ± 0.002 Å
• α: 100.67 ± 0.03°
• β: 97.26 ± 0.03°
• γ: 94.68 ± 0.03°
• Cell volume: 798.8 ± 0.3 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 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: 0.0613
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No