Information card for entry 1514602

Structure parameters

• Formula: C8 H15 F6 N2 P
• Calculated formula: C8 H15 F6 N2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].n1(c[n+](cc1)C)CCCC
• 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: 9.3855 ± 0.0003 Å
• b: 9.7769 ± 0.0003 Å
• c: 26.717 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2451.58 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No