Information card for entry 4106770

Structure parameters

• Formula: C25 H8 B Cl15
• Calculated formula: C25 H8 B Cl15
• 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: 8.9324 ± 0.0002 Å
• b: 13.3079 ± 0.0002 Å
• c: 13.4168 ± 0.0003 Å
• α: 96.8119 ± 0.0007°
• β: 99.4211 ± 0.0008°
• γ: 90.0255 ± 0.0009°
• Cell volume: 1561.94 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9641
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No