Information card for entry 2232254

Structure parameters

• Chemical name: 2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium perchlorate
• Formula: C8 H6 Cl F3 N2 O4
• Calculated formula: C8 H6 Cl F3 N2 O4
• SMILES: FC(F)(F)c1[nH]c2c([nH+]1)cccc2.Cl(=O)(=O)(=O)[O-]
• Title of publication: 2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium perchlorate
• Authors of publication: Liu, Ming-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2821
• a: 7.6274 ± 0.0015 Å
• b: 9.0614 ± 0.0018 Å
• c: 9.3838 ± 0.0019 Å
• α: 61.8 ± 0.03°
• β: 81.98 ± 0.03°
• γ: 75.85 ± 0.03°
• Cell volume: 554 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes