Information card for entry 4120092

Structure parameters

• Formula: C76 H38 B F32 N Si
• Calculated formula: C76 H38 B F32 N Si
• SMILES: [Si]1([N+]#CC)(c2c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)C2c3ccccc3C1c1c2cccc1.c1(c(c(c(c(c1F)F)F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1(c(c(c(c(c1F)F)F)F)F)F.c1(c(c(c(c(c1F)F)F)F)F)F
• Title of publication: Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes
• Authors of publication: Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10353 - 10361
• a: 10.2363 ± 0.0004 Å
• b: 18.2469 ± 0.0009 Å
• c: 19.157 ± 0.0009 Å
• α: 90.417 ± 0.003°
• β: 102.865 ± 0.003°
• γ: 105.219 ± 0.003°
• Cell volume: 3357.8 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.2057
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No