Information card for entry 7123527

Structure parameters

• Chemical name: cyclo-[Al(C6F5)2N(C6H5)C(C6H11)OAl(C6F5)2N(C6H5)C(C6H11)O]*tol
• Formula: C57 H18 Al2 F30 N2 O2
• Calculated formula: C57 H18 Al2 F30 N2 O2
• Title of publication: Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair
• Authors of publication: Mehta, Meera; Goicoechea, Jose M.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.8016 ± 0.0003 Å
• b: 14.1317 ± 0.0003 Å
• c: 17.4036 ± 0.0005 Å
• α: 78.018 ± 0.002°
• β: 75.621 ± 0.002°
• γ: 80.479 ± 0.002°
• Cell volume: 2730.41 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1156
• Residual factor for significantly intense reflections: 0.1082
• Weighted residual factors for significantly intense reflections: 0.4124
• Weighted residual factors for all reflections included in the refinement: 0.4219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.999
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No