Information card for entry 7034863

Structure parameters

• Formula: C52 H33 B2 F30 N5 Si
• Calculated formula: C52 H33 B2 F30 N5 Si
• SMILES: [Si](=C1N(C(=C(N1C(C)(C)C)C)C)C(C)(C)C)(C)(C)C.[B]([N]#N=N[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(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
• 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: 10.5595 ± 0.0006 Å
• b: 14.6325 ± 0.0008 Å
• c: 18.5185 ± 0.001 Å
• α: 97.231 ± 0.004°
• β: 94.146 ± 0.004°
• γ: 110.557 ± 0.006°
• Cell volume: 2636.8 ± 0.3 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: 0.0523
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No