Information card for entry 7113534

Structure parameters

• Formula: C8 H12 F6 N2 P
• Calculated formula: C8 H12 F6 N2 P
• Title of publication: Liquid clathrate formation in ionic liquid‒aromatic mixtures
• Authors of publication: Holbrey, John D.; Reichert, W. Matthew; Nieuwenhuyzen, Mark; Sheppard, Oonagh; Hardacre, Christopher; Rogers, Robin D.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 476 - 477
• a: 6.3616 ± 0.0008 Å
• b: 11.7383 ± 0.0014 Å
• c: 15.9061 ± 0.0019 Å
• α: 90°
• β: 98.002 ± 0.002°
• γ: 90°
• Cell volume: 1176.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.6867 Å
• Diffraction radiation type: Synchrotron
• Duplicate of: 7103989
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No