Information card for entry 7716432

Structure parameters

• Formula: C14 H31 B21 Br N
• Calculated formula: C14 H31 B21 Br N
• Title of publication: Reactivity study of Lewis superacidic carborane-based analogue of 9-bromo-9-borafluorene towards Lewis bases
• Authors of publication: Xiang, Libo; Matler, Alexander; Tan, Leibo; Ye, Qing
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 7.326 ± 0.002 Å
• b: 12.897 ± 0.004 Å
• c: 14.448 ± 0.004 Å
• α: 76.466 ± 0.009°
• β: 85.047 ± 0.01°
• γ: 89.247 ± 0.009°
• Cell volume: 1322.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No