Information card for entry 4511843

Structure parameters

• Formula: C9 H14 F6 N P
• Calculated formula: C9 H14 F6 N P
• SMILES: [n+]1(cc(ccc1)C)CCC.[P](F)(F)(F)(F)(F)[F-]
• 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: 8.8517 ± 0.0005 Å
• b: 9.1524 ± 0.0005 Å
• c: 9.2668 ± 0.0005 Å
• α: 63.953 ± 0.002°
• β: 64.555 ± 0.002°
• γ: 85.076 ± 0.002°
• Cell volume: 604.15 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No