Information card for entry 4129070

Structure parameters

• Formula: C65 H79 Al F7 Li2 N4 O8
• Calculated formula: C65 H78.944 Al F7 Li2 N4 O8
• Title of publication: Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.
• Authors of publication: Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 15.5499 ± 0.0002 Å
• b: 18.1193 ± 0.0003 Å
• c: 22.071 ± 0.0003 Å
• α: 90°
• β: 96.3437 ± 0.0012°
• γ: 90°
• Cell volume: 6180.5 ± 0.16 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 7
• 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: 0.0695
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No