Information card for entry 2234200

Structure parameters

• Chemical name: 2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium tetrafluoroborate‒2-trifluoromethyl-1<i>H</i>-benzimidazole‒water (1/1/1)
• Formula: C16 H13 B F10 N4 O
• Calculated formula: C16 H13 B F10 N4 O
• Title of publication: 2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium tetrafluoroborate‒2-trifluoromethyl-1<i>H</i>-benzimidazole‒water (1/1/1)
• Authors of publication: Liu, Ming-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1076
• a: 8.7897 ± 0.0018 Å
• b: 10.947 ± 0.002 Å
• c: 11.458 ± 0.002 Å
• α: 92.48 ± 0.03°
• β: 96.59 ± 0.03°
• γ: 113.34 ± 0.03°
• Cell volume: 1000.8 ± 0.4 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: 0.1329
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes