Information card for entry 4072688

Structure parameters

• Formula: C7 H7 F6 N4 P
• Calculated formula: C7 H7 F6 N4 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].c1n(c[n+](c1)CC#N)CC#N
• Title of publication: Development of Nitrile-Functionalized Ionic Liquids for C−C Coupling Reactions: Implication of Carbene and Nanoparticle Catalysts
• Authors of publication: Fei, Zhaofu; Zhao, Dongbin; Pieraccini, Daniela; Ang, Wee Han; Geldbach, Tilmann J.; Scopelliti, Rosario; Chiappe, Cinzia; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1588
• a: 8.2759 ± 0.0013 Å
• b: 15.02 ± 0.004 Å
• c: 9.024 ± 0.002 Å
• α: 90°
• β: 104.332 ± 0.017°
• γ: 90°
• Cell volume: 1086.8 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1915
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No