Information card for entry 2224872

Structure parameters

• Chemical name: 1-Methyl-3-(4-vinylbenzyl)imidazolium hexafluorophosphate
• Formula: C13 H15 F6 N2 P
• Calculated formula: C13 H15 F6 N2 P
• SMILES: Cn1cc[n+](c1)Cc1ccc(cc1)C=C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 1-Methyl-3-(4-vinylbenzyl)imidazolium hexafluorophosphate
• Authors of publication: Lu, Xiang-Yong; Sun, Jia-Feng; Zhang, Lin; Chen, Xue-Tai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o378
• a: 10.482 ± 0.002 Å
• b: 11.272 ± 0.003 Å
• c: 12.556 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1483.5 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1269
• 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