Information card for entry 4068958

Structure parameters

• Formula: C61 H50 B F15 N2 Si
• Calculated formula: C61 H50 B F15 N2 Si
• SMILES: [Si]12(N(C(=CC(=[N+]1c1c(cccc1C(C)C)C(C)C)C)C[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(cccc1C(C)C)C(C)C)C(=C2c1ccccc1)c1ccccc1
• Title of publication: From an N-Heterocyclic Silacyclopropene to Donor-Supported Silacyclopropenylium Cations
• Authors of publication: Yao, Shenglai; Xiong, Yun; van Wüllen, Christoph; Driess, Matthias
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1610
• a: 12.5629 ± 0.0006 Å
• b: 15.3822 ± 0.001 Å
• c: 18.1208 ± 0.001 Å
• α: 66.811 ± 0.006°
• β: 75.967 ± 0.004°
• γ: 75.193 ± 0.005°
• Cell volume: 3072.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1505
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No