Information card for entry 7034427

Structure parameters

• Formula: C11 H4 B F18 N O3
• Calculated formula: C11 H3.9999 B F18 N O3
• Title of publication: From unsuccessful H2-activation with FLPs containing B(Ohfip)3 to a systematic evaluation of the Lewis acidity of 33 Lewis acids based on fluoride, chloride, hydride and methyl ion affinities.
• Authors of publication: Böhrer, Hannes; Trapp, Nils; Himmel, Daniel; Schleep, Mario; Krossing, Ingo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7489 - 7499
• a: 13.079 ± 0.002 Å
• b: 13.079 ± 0.002 Å
• c: 18.57 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2751 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No