Information card for entry 2207786

Structure parameters

• Chemical name: N-Methylbenzimidazole N-methylbenzimidazolium hexafluorophosphate (1/1/1)
• Formula: C16 H17 F6 N4 P
• Calculated formula: C16 H17 F6 N4 P
• Title of publication: <i>N</i>-Methylbenzimidazole <i>N</i>-methylbenzimidazolium hexafluorophosphate
• Authors of publication: Kooijman, Huub; Velders, Aldrik H.; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o21 - o23
• a: 14.93 ± 0.004 Å
• b: 6.6524 ± 0.0012 Å
• c: 9.0261 ± 0.0012 Å
• α: 90°
• β: 90.214 ± 0.017°
• γ: 90°
• Cell volume: 896.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes