Information card for entry 4106771

Structure parameters

• Formula: C18 B Cl5 F10
• Calculated formula: C18 B Cl5 F10
• SMILES: B(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Separating Electrophilicity and Lewis Acidity: The Synthesis, Characterization, and Electrochemistry of the Electron Deficient Tris(aryl)boranes B(C6F5)3-n(C6Cl5)n (n= 1-3)
• Authors of publication: Andrew E. Ashley; Thomas J. Herrington; Gregory G. Wildgoose; Hasna Zaher; Amber L. Thompson; Nicholas H. Rees; Tobias Krämer; Dermot O'Hare
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 14727 - 14740
• a: 9.3745 ± 0.0002 Å
• b: 14.6816 ± 0.0003 Å
• c: 14.5635 ± 0.0004 Å
• α: 90°
• β: 90.3251 ± 0.001°
• γ: 90°
• Cell volume: 2004.38 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0653
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections: 0.114
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9445
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No