Information card for entry 4079980

Structure parameters

• Formula: C20 H6 B F12 N
• Calculated formula: C20 H6 B F12 N
• Title of publication: Comparative Lewis Acidity in Fluoroarylboranes: B(o-HC6F4)3, B(p-HC6F4)3, and B(C6F5)3
• Authors of publication: Morgan, Matthew M.; Marwitz, Adam J. V.; Piers, Warren E.; Parvez, Masood
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 317
• a: 10.9156 ± 0.0003 Å
• b: 9.1901 ± 0.0004 Å
• c: 19.1747 ± 0.0008 Å
• α: 90°
• β: 92.328 ± 0.002°
• γ: 90°
• Cell volume: 1921.93 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1054
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No