Information card for entry 2016646

Structure parameters

• Chemical name: bis(4-methylimidazolium) terephthalate
• Formula: C16 H18 N4 O4
• Calculated formula: C16 H18 N4 O4
• SMILES: c1(C(=O)[O-])ccc(cc1)C(=O)[O-].c1c(C)[nH]c[nH+]1.c1c(C)[nH]c[nH+]1
• Title of publication: Two three-dimensional networks in the binary molecular adducts 4-methylimidazolium hydrogen terephthalate and bis(4-methylimidazolium) terephthalate
• Authors of publication: Meng, Xiang-Gao; Lin, Zhi-Dong; Li, Ai-Min
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o322 - o325
• a: 10.7759 ± 0.0007 Å
• b: 7.5608 ± 0.0005 Å
• c: 10.3254 ± 0.0007 Å
• α: 90°
• β: 103.454 ± 0.001°
• γ: 90°
• Cell volume: 818.17 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes