Information card for entry 8106789

Structure parameters

• Formula: C16 H16 F6 N3 P
• Calculated formula: C16 H16 F6 N3 P
• Title of publication: Crystal structure of 1-benzyl-3-(4-methylpyridin-2-yl)-1H-imidazol-3-ium hexafluorophosphate, C16H16F6N3P
• Authors of publication: Wang, Zhi-Qiang; Wang, Wen-Hui; Ren, Yun-Lai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 75 - 76
• a: 8.6414 ± 0.0008 Å
• b: 20.755 ± 0.002 Å
• c: 10.1157 ± 0.0008 Å
• α: 90°
• β: 104.686 ± 0.009°
• γ: 90°
• Cell volume: 1755 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.0698
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No