Information card for entry 7200489

Structure parameters

• Common name: 1-(2,3,4,5,6-pentafluorobenzyl)-3-benzylimidazolium bromide
• Chemical name: 1-(2,3,4,5,6-pentafluorobenzyl)-3-benzylimidazolium bromide
• Formula: C17 H12 Br F5 N2
• Calculated formula: C17 H12 Br F5 N2
• SMILES: [Br-].Fc1c(C[n+]2cn(cc2)Cc2ccccc2)c(F)c(F)c(F)c1F
• Title of publication: Bottom-up design and construction of a non-centrosymmetric network through π–π stacking interactions
• Authors of publication: Serrano-Becerra, J. M.; Hernández-Ortega, S.; Morales-Morales, D.; Valdés-Martínez, J.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 226 - 228
• a: 6.4341 ± 0.0012 Å
• b: 7.3046 ± 0.0014 Å
• c: 8.8257 ± 0.0017 Å
• α: 85.98 ± 0.004°
• β: 88.527 ± 0.004°
• γ: 83.187 ± 0.004°
• Cell volume: 410.79 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No