Information card for entry 4310704

Structure parameters

• Formula: C8 H12 F6 N3 P
• Calculated formula: C8 H12 F6 N3 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].n1(cc[n+](c1)CCCC#N)C
• Title of publication: Synthesis and Characterization of Ionic Liquids Incorporating the Nitrile Functionality
• Authors of publication: Dongbin Zhao; Zhaofu Fei; Rosario Scopelliti; Paul J. Dyson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2197 - 2205
• a: 8.022 ± 0.004 Å
• b: 8.161 ± 0.005 Å
• c: 9.46 ± 0.002 Å
• α: 88.12 ± 0.03°
• β: 87.01 ± 0.03°
• γ: 74.95 ± 0.05°
• Cell volume: 597.1 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No