Information card for entry 1514606

Structure parameters

• Formula: C8 H15 F6 N2 P
• Calculated formula: C8 H15 F6 N2 P
• SMILES: [F-][P](F)(F)(F)(F)F.CCCC[n+]1ccn(c1)C
• Title of publication: Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]
• Authors of publication: Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 1270
• a: 8.8215 ± 0.0008 Å
• b: 9.0796 ± 0.0009 Å
• c: 9.0381 ± 0.0008 Å
• α: 96.671 ± 0.007°
• β: 114.768 ± 0.006°
• γ: 103.071 ± 0.007°
• Cell volume: 621.82 ± 0.11 ų
• Cell temperature: 263 ± 2 K
• Ambient diffraction temperature: 263 ± 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: 0.0759
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No