Information card for entry 4125103

Structure parameters

• Formula: C12 H15 B F4 N2 O
• Calculated formula: C12 H15 B F4 N2 O
• SMILES: O(c1ccc(c2n(C)cc[n+]2C)cc1)C.[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: 11.6467 ± 0.0009 Å
• b: 10.9394 ± 0.0005 Å
• c: 11.9902 ± 0.0009 Å
• α: 90°
• β: 117.808 ± 0.009°
• γ: 90°
• Cell volume: 1351.23 ± 0.19 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• 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: 0.0862
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No