Information card for entry 2017589

Structure parameters

• Chemical name: Imidazolium hydrogen 2,3,5,6-tetrafluoroterephthalate
• Formula: C11 H6 F4 N2 O4
• Calculated formula: C11 H6 F4 N2 O4
• SMILES: Fc1c(c(F)c(F)c(c1F)C(=O)O)C(=O)[O-].[nH]1c[nH+]cc1
• Title of publication: Three-dimensional supramolecular architecture in imidazolium hydrogen 2,3,5,6-tetrafluoroterephthalate
• Authors of publication: Yu, Li-Li; Cheng, Mei-Ling; Liu, Qi; Zhang, Zhi-Hui; Chen, Qun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o179 - o181
• a: 9.716 ± 0.003 Å
• b: 7.229 ± 0.003 Å
• c: 17.406 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1222.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes