Information card for entry 4117745

Structure parameters

• Chemical name: (1,1,1,3,3,3-hexa-tert-butyltrisilane-2-yl-2-ylium 1,3,4,5-tetramthylimidazole-2,2-diyl)- tetrakis[4-(tert-butyldimethylsilyl)-2,3,5,6-tetrafluorophenyl]borate
• Formula: C94 H138.5 B F18.5 N2 Si7
• Calculated formula: C94 H138.5 B F18.5 N2 Si7
• Title of publication: An Isolable NHC-Stabilized Silylene Radical Cation: Synthesis and Structural Characterization
• Authors of publication: Hiroaki Tanaka; Masaaki Ichinohe; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 5540 - 5543
• a: 15.26 ± 0.002 Å
• b: 16.593 ± 0.002 Å
• c: 20.617 ± 0.003 Å
• α: 98.25 ± 0.001°
• β: 96.718 ± 0.002°
• γ: 90.447 ± 0.002°
• Cell volume: 5129.3 ± 1.2 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.093
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2283
• Weighted residual factors for all reflections included in the refinement: 0.245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No