Information card for entry 7716430

Structure parameters

• Formula: C22 H35 B21 Br P
• Calculated formula: C22 H35 B21 Br P
• SMILES: [B]1(Br)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[C]2345[C]678([C]9%10%11%12[C]%13%14%151[BH]1%169[BH]9%17%10[BH]%10%18%12[BH]%12%11%13[BH]%11%13%14[BH]%14%10%12[BH]%10%12%13[BH]%151%11[BH]%169%10[BH]%17%18%14%12)[BH]192[BH]2%106[BH]6%118[BH]837[BH]375[BH]541[BH]192[BH]2%106[BH]%1183[BH]7512
• 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 (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 28
• Pages of publication: 11655 - 11658
• a: 22.582 ± 0.005 Å
• b: 18.782 ± 0.003 Å
• c: 16.656 ± 0.006 Å
• α: 90°
• β: 117.637 ± 0.012°
• γ: 90°
• Cell volume: 6258 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0518
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No