Information card for entry 2225807

Structure parameters

• Chemical name: 1-{2-[2-(1<i>H</i>-Benzimidazol-1-yl)ethoxy]ethyl}-1<i>H</i>- benzimidazol-3-ium hexafluorophosphate
• Formula: C18 H19 F6 N4 O P
• Calculated formula: C18 H19 F6 N4 O P
• Title of publication: 1-{2-[2-(1<i>H</i>-Benzimidazol-1-yl)ethoxy]ethyl}-1<i>H</i>-benzimidazol-3-ium hexafluorophosphate
• Authors of publication: Sun, Sheng-Fu; Xu, Jin; Qin, Da-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1171
• a: 10.5347 ± 0.0018 Å
• b: 13.771 ± 0.002 Å
• c: 13.353 ± 0.002 Å
• α: 90°
• β: 92.507 ± 0.002°
• γ: 90°
• Cell volume: 1935.3 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes