Information card for entry 4349352

Structure parameters

• Formula: C12 B F27 O3
• Calculated formula: C12 B F27 O3
• SMILES: B(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
• Title of publication: Synthesis, Characterization, and Properties of Weakly Coordinating Anions Based on tris-Perfluoro-tert-Butoxyborane.
• Authors of publication: LeBlanc, Francis A.; Decken, Andreas; Cameron, T. Stanley; Passmore, Jack; Rautiainen, J. Mikko; Whidden, Thomas K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 974 - 983
• a: 16.712 ± 0.002 Å
• b: 6.8568 ± 0.0009 Å
• c: 18.657 ± 0.002 Å
• α: 90°
• β: 91.358 ± 0.002°
• γ: 90°
• Cell volume: 2137.3 ± 0.4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• 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: 0.0795
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No