Information card for entry 4106509

Structure parameters

• Formula: C23 H26.86 B11 Cl6.14 F2 Si
• Calculated formula: C23 H26.8639 B11 Cl6.1361 F2 Si
• SMILES: [Si]1([F]c2c(c3c1c(ccc3)c1c(cccc1C)C)c(F)ccc2)(C)C.[CH]1234[BH]567[B]89%10(Cl)[B]%11%125(Cl)[B]5%13%14(Cl)[B]%15%16%17(Cl)[B]%188(Cl)([BH]3%16([BH]2%13%15[BH]16%115)[B]479%18Cl)[B]%10%12%14%17Cl.[Si]1([F]c2c(c3c1c(ccc3)c1c(cccc1C)C)c(F)ccc2)(C)C.[CH]1234[BH]567[B]89%10(Cl)[B]%11%125(Cl)[B]5%13%14(Cl)[B]%15%16%17(Cl)[B]%188(Cl)([BH]3%16([BH]2%13%15[BH]16%115)[BH]479%18)[B]%10%12%14%17Cl.[Si]1([F]c2c(c3c1c(ccc3)c1c(cccc1C)C)c(F)ccc2)(C)C.[CH]1234[BH]567[B]89%10(Cl)[B]%11%125(Cl)[B]5%13%14(Cl)[B]%15%16%17(Cl)[B]%188(Cl)([BH]3%16([BH]2%13%15[BH]16%115)[BH]479%18)[B]%10%12%14%17Cl.[Si]1([F]c2c(c3c1c(ccc3)c1c(cccc1C)C)c(F)ccc2)(C)C.[CH]1234[BH]567[B]89%10(Cl)[B]%11%125(Cl)[B]5%13%14(Cl)[B]%15%16%17(Cl)[B]%188(Cl)([BH]3%16([BH]2%13%15[BH]16%115)[BH]479%18)[B]%10%12%14%17Cl.[Si]1([F]c2c(c3c1c(ccc3)c1c(cccc1C)C)c(F)ccc2)(C)C.[CH]1234[BH]567[B]89%10(Cl)[B]%11%125(Cl)[B]5%13%14(Cl)[B]%15%16%17(Cl)[B]%188(Cl)([BH]3%16([BH]2%13%15[BH]16%115)[BH]479%18)[B]%10%12%14%17Cl.[Si]1([F]c2c(c3c1c(ccc3)c1c(cccc1C)C)c(F)ccc2)(C)C.[CH]1234[BH]567[B]89%10(Cl)[B]%11%125(Cl)[B]5%13%14(Cl)[B]%15%16%17(Cl)[B]%188(Cl)([BH]3%16([BH]2%13%15[BH]16%115)[BH]479%18)[B]%10%12%14%17Cl.[Si]1([F]c2c(c3c1c(ccc3)c1c(cccc1C)C)c(F)ccc2)(C)C.[CH]1234[BH]567[B]89%10(Cl)[B]%11%125(Cl)[B]5%13%14(Cl)[B]%15%16%17(Cl)[B]%188(Cl)([BH]3%16([BH]2%13%15[BH]16%115)[BH]479%18)[B]%10%12%14%17Cl
• Title of publication: Competition between π-Arene and Lone-Pair Halogen Coordination of Silylium Ions?
• Authors of publication: Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 11844 - 11846
• a: 11.54215 ± 0.00011 Å
• b: 14.69775 ± 0.00017 Å
• c: 19.3449 ± 0.0002 Å
• α: 90°
• β: 94.908 ± 0.001°
• γ: 90°
• Cell volume: 3269.71 ± 0.06 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 6
• 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: 0.0376
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No