Information card for entry 2215586

Structure parameters

• Chemical name: Bisimidazolium terephthalate
• Formula: C14 H14 N4 O4
• Calculated formula: C14 H14 N4 O4
• SMILES: c1(C(=O)[O-])ccc(cc1)C(=O)[O-].c1c[nH]c[nH+]1.c1c[nH]c[nH+]1
• Title of publication: Bisimidazolium terephthalate
• Authors of publication: Tian, Zhi-gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4067 - o4067
• a: 9.6288 ± 0.0006 Å
• b: 8.3351 ± 0.0006 Å
• c: 9.8244 ± 0.0006 Å
• α: 90°
• β: 113.854 ± 0.001°
• γ: 90°
• Cell volume: 721.12 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes