Information card for entry 4106510

Structure parameters

• Formula: C25 H31 B11 Cl8 Si
• Calculated formula: C25 H31 B11 Cl8 Si
• SMILES: [Si](c1c(cccc1c1c(cc(cc1C)Cl)C)c1c(cc(cc1C)Cl)C)(C)(C)[Cl][B]1234[B]567([B]89%10([B]%11%12%13([B]%141([B]258%11Cl)([BH]123[CH]358[BH]461[BH]793[BH]%10%125[BH]%13%1428)Cl)Cl)Cl)Cl
• 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: 9.47605 ± 0.00007 Å
• b: 18.88054 ± 0.00014 Å
• c: 20.51762 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3670.87 ± 0.05 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No