Information card for entry 2229514

Structure parameters

• Chemical name: 2,4-Bis[(3-butylimidazol-3-ium-1-yl)methyl]-1,3,5-trimethylbenzene bis(hexafluorophosphate)
• Formula: C25 H38 F12 N4 P2
• Calculated formula: C25 H38 F12 N4 P2
• Title of publication: 2,4-Bis[(3-butylimidazol-3-ium-1-yl)methyl]-1,3,5-trimethylbenzene bis(hexafluorophosphate)
• Authors of publication: Haque, Rosenani A.; Salman, Abbas Washeel; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o562 - o563
• a: 12.3851 ± 0.0002 Å
• b: 19.6516 ± 0.0003 Å
• c: 12.7586 ± 0.0002 Å
• α: 90°
• β: 104.698 ± 0.001°
• γ: 90°
• Cell volume: 3003.66 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes