Information card for entry 2014366

Structure parameters

• Common name: BMIMPF6
• Chemical name: 1-butyl-3-methylimidazolium hexafluorophosphate
• Formula: C8 H15 F6 N2 P
• Calculated formula: C8 H15 F6 N2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].n1(C)c[n+](cc1)CCCC
• Title of publication: Crystallographic view of fluidic structures for room-temperature ionic liquids: 1-butyl-3-methylimidazolium hexafluorophosphate
• Authors of publication: Dibrov, Sergey M.; Kochi, Jay K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o19 - o21
• a: 8.7549 ± 0.0012 Å
• b: 8.9042 ± 0.0012 Å
• c: 9.0128 ± 0.0013 Å
• α: 95.81 ± 0.003°
• β: 114.955 ± 0.002°
• γ: 103.061 ± 0.003°
• Cell volume: 604.96 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes