Information card for entry 4508541

Structure parameters

• Formula: C5 H9 F6 N2 P
• Calculated formula: C5 H9 F6 N2 P
• Title of publication: Determination of Missing Crystal Structures in the 1-Alkyl-3-methylimidazolium Hexafluorophosphate Series: Implications on Structure‒Property Relationships
• Authors of publication: Endo, Takatsugu; Masu, Hyuma; Fujii, Kozo; Morita, Takeshi; Seki, Hiroko; Sen, Sabyasachi; Nishikawa, Keiko
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 5383
• a: 8.5772 ± 0.0002 Å
• b: 8.5772 ± 0.0002 Å
• c: 25.7819 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1896.73 ± 0.08 ų
• Cell temperature: 304 K
• Ambient diffraction temperature: 304 K
• Number of distinct elements: 5
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No