Information card for entry 7716433

Structure parameters

• Formula: C37 H86 B42 N4
• Calculated formula: C37 H86 B42 N4
• 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: 10.4445 ± 0.0003 Å
• b: 11.4808 ± 0.0004 Å
• c: 14.0816 ± 0.0005 Å
• α: 67.709 ± 0.003°
• β: 86.457 ± 0.003°
• γ: 76.241 ± 0.003°
• Cell volume: 1516.76 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0901
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2164
• Weighted residual factors for all reflections included in the refinement: 0.2324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No