Information card for entry 1569843

Structure parameters

• Formula: C16 H36 F6 O4 P2
• Calculated formula: C16 H36 F6 O4 P2
• SMILES: [P+](CCCOC)(CCCOC)(CCCOC)CCCOC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Room temperature ionic liquids with two symmetric ions.
• Authors of publication: Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 37
• Pages of publication: 10340 - 10346
• a: 9.6155 ± 0.0002 Å
• b: 15.4439 ± 0.0004 Å
• c: 15.4444 ± 0.0004 Å
• α: 90°
• β: 93.615 ± 0.001°
• γ: 90°
• Cell volume: 2288.94 ± 0.1 ų
• Cell temperature: 154 ± 2 K
• Ambient diffraction temperature: 154 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No