Information card for entry 7034426

Structure parameters

• Formula: C9 H3 B F18 O3
• Calculated formula: C9 H3 B F18 O3
• SMILES: FC(F)(F)C(C(F)(F)F)OB(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
• 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: 8.9234 ± 0.0011 Å
• b: 15.103 ± 0.002 Å
• c: 12.9733 ± 0.0017 Å
• α: 90°
• β: 105.342 ± 0.003°
• γ: 90°
• Cell volume: 1686.1 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0979
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0997
• 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