Information card for entry 7017327

Structure parameters

• Formula: C49 H71 B31 Cl2
• Calculated formula: C49 H71 B31 Cl2
• SMILES: B(c1c(cc([C]2345[C]678(c9ccccc9)[BH]9%103[BH]3%112[BH]2%129[BH]9%133[BH]34%11[BH]4%11%13[BH]%13%129[BH]6%102[BH]8%11%13[BH]5734)cc1C)C)(c1c(cc([C]2345[C]678(c9ccccc9)[BH]9%103[BH]3%112[BH]2%129[BH]9%133[BH]34%11[BH]4%11%13[BH]%13%129[BH]6%102[BH]8%11%13[BH]5734)cc1C)C)c1c(cc([C]2345[C]678(c9ccccc9)[BH]9%103[BH]3%112[BH]2%129[BH]9%133[BH]34%11[BH]4%11%13[BH]%13%129[BH]6%102[BH]8%11%13[BH]5734)cc1C)C.C(Cl)Cl
• Title of publication: A highly Lewis acidic triarylborane bearing peripheral o-carborane cages.
• Authors of publication: Lee, Kang Mun; Huh, Jung Oh; Kim, Taewon; Do, Youngkyu; Lee, Min Hyung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11758 - 11764
• a: 19.882 ± 0.002 Å
• b: 14.7429 ± 0.0016 Å
• c: 23.618 ± 0.003 Å
• α: 90°
• β: 111.808 ± 0.006°
• γ: 90°
• Cell volume: 6427.4 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.233
• Weighted residual factors for all reflections included in the refinement: 0.2606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No