Information card for entry 4511841

Structure parameters

• Formula: C7 H13 F6 N2 P
• Calculated formula: C7 H13 F6 N2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].n1(c[n+](cc1)C)CCC
• Title of publication: Generating Ionic Liquids from Ionic Solids: An Investigation of the Melting Behavior of Binary Mixtures of Ionic Liquids
• Authors of publication: Maximo, Guilherme J.; Santos, Ricardo J. B. N.; Brandão, Paula; Esperança, José M. S. S.; Costa, Mariana C.; Meirelles, Antonio J. A.; Freire, Mara G.; Coutinho, João A. P.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 4270
• a: 8.5236 ± 0.0014 Å
• b: 10.0435 ± 0.0017 Å
• c: 13.64 ± 0.003 Å
• α: 90°
• β: 106.075 ± 0.005°
• γ: 90°
• Cell volume: 1122 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No