Information card for entry 4072691

Structure parameters

• Formula: C11 H15 F6 N4 P
• Calculated formula: C11 H15 F6 N4 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].n1(c[n+](cc1)CCCC#N)CCCC#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: 8.2657 ± 0.0008 Å
• b: 8.9473 ± 0.0006 Å
• c: 10.602 ± 0.001 Å
• α: 105.391 ± 0.008°
• β: 93.605 ± 0.008°
• γ: 94.706 ± 0.007°
• Cell volume: 750.48 ± 0.12 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: 0.0506
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No