Information card for entry 4083139

Structure parameters

• Formula: C31 H22 B11 Cl11 D24 Si4
• Calculated formula: C31 H22 B11 Cl11 D24 Si4
• SMILES: [Si]12(C[Si]3(C[Si](C1)(C[Si](C2)(C3)C)C)C)[cH]1(c(c(c(c(c1[2H])[2H])C([2H])([2H])[2H])[2H])[2H])[2H].Cl[B]1234[CH]567[B]891(Cl)[B]1%105(Cl)[B]5%116(Cl)[B]627(Cl)[B]27%11(Cl)[B]%11%105(Cl)[B]591(Cl)[B]138(Cl)[B]462(Cl)[B]7%1151Cl.c1(c([2H])c([2H])c([2H])c([2H])c1[2H])C([2H])([2H])[2H].c1(c([2H])c([2H])c([2H])c([2H])c1[2H])C([2H])([2H])[2H]
• Title of publication: Synthesis and Structure of the First Bridgehead Silylium Ion
• Authors of publication: Wehmschulte, Rudolf J.; Laali, Kenneth K.; Borosky, Gabriela L.; Powell, Douglas R.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2146
• a: 10.56 ± 0.0006 Å
• b: 12.1947 ± 0.0007 Å
• c: 19.6336 ± 0.0011 Å
• α: 87.196 ± 0.002°
• β: 88.956 ± 0.002°
• γ: 73.794 ± 0.002°
• Cell volume: 2424.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No