Information card for entry 7129800

Structure parameters

• Formula: C44 H32 B F20 N
• Calculated formula: C44 H32 B F20 N
• SMILES: [N+]1(=CC(CC1(C)C)(C)C)c1c(cccc1C(C)C)C(C)C.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis and redox activity of carbene-coordinated group 13 metal radicals
• Authors of publication: Li, Bin; Geoghegan, Blaise; Weinert, Hanns Micha; Wölper, Christoph; Cutsail III, George; Schulz, Stephan
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 14.3008 ± 0.0019 Å
• b: 14.7881 ± 0.0019 Å
• c: 19.075 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4034 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No