Information card for entry 4125106

Structure parameters

• Formula: C11 H13 B F4 N2
• Calculated formula: C11 H13 B F4 N2
• SMILES: n1(C)c([n+](C)cc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: New Insights Into the Role of Imidazolium-Based Promoters for the Electroreduction of CO2 on a Silver Electrode.
• Authors of publication: Lau, Genevieve P. S.; Schreier, Marcel; Vasilyev, Dmitry; Scopelliti, Rosario; Grätzel, Michael; Dyson, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 25
• Pages of publication: 7820 - 7823
• a: 10.153 ± 0.002 Å
• b: 10.7563 ± 0.0017 Å
• c: 12.182 ± 0.0019 Å
• α: 88.021 ± 0.013°
• β: 65.88 ± 0.019°
• γ: 85.439 ± 0.016°
• Cell volume: 1210.4 ± 0.4 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: 0.2269
• Residual factor for significantly intense reflections: 0.1784
• Weighted residual factors for significantly intense reflections: 0.4191
• Weighted residual factors for all reflections included in the refinement: 0.4608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.316
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No