Information card for entry 4310701

Structure parameters

• Formula: C9 H14 F6 N3 P
• Calculated formula: C9 H14 F6 N3 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].n1(cc[n+](c1C)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: 8.6472 ± 0.0017 Å
• b: 8.9312 ± 0.0013 Å
• c: 9.616 ± 0.002 Å
• α: 74.891 ± 0.015°
• β: 65.92 ± 0.02°
• γ: 78.351 ± 0.014°
• Cell volume: 650.7 ± 0.2 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: 0.057
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No