Information card for entry 7034865

Structure parameters

• Formula: C22 H42 F3 N3 O4 S Si
• Calculated formula: C22 H42 F3 N3 O4 S Si
• Title of publication: Frustrated N-heterocyclic carbene-silylium ion Lewis pairs.
• Authors of publication: Silva Valverde, Miguel F.; Theuergarten, Eileen; Bannenberg, Thomas; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9400 - 9408
• a: 18.8522 ± 0.0004 Å
• b: 20.4483 ± 0.0003 Å
• c: 15.2041 ± 0.0003 Å
• α: 90°
• β: 110.952 ± 0.002°
• γ: 90°
• Cell volume: 5473.58 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No