Information card for entry 4129072

Structure parameters

• Formula: C50 H89 Al Li2 N4 O11
• Calculated formula: C50 H88.6445 Al Li2 N4 O11
• 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: 12.157 ± 0.002 Å
• b: 23.544 ± 0.005 Å
• c: 39.927 ± 0.008 Å
• α: 90°
• β: 98.21 ± 0.03°
• γ: 90°
• Cell volume: 11311 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2215
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No