Information card for entry 7048913

Structure parameters

• Formula: C56.2 H50.4 B Cl2.4 F10 O2 P
• Calculated formula: C56.2 H50.4 B Cl2.4 F10 O2 P
• Title of publication: Reversible O-H bond activation by an intramolecular frustrated Lewis pair.
• Authors of publication: Vasko, Petra; Fuentes, M Ángeles; Hicks, Jamie; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 2896 - 2899
• a: 20.681 ± 0.004 Å
• b: 20.544 ± 0.004 Å
• c: 25.33 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10762 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No