Information card for entry 7117736

Structure parameters

• Formula: C2 H5.94 B11 Br5.06 Cs F3 O3 S
• Calculated formula: C2 H5.942 B11 Br5.058 Cs F3 O3 S
• Title of publication: Triflyloxy-substituted carboranes as useful weakly coordinating anions
• Authors of publication: Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14034
• a: 11.355 ± 0.002 Å
• b: 27.735 ± 0.006 Å
• c: 13.353 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4205.3 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No