Information card for entry 1557028

Structure parameters

• Formula: C52 H26 Al2 Ca F68 O7
• Calculated formula: C52 H26 Al2 Ca F68 O7
• Title of publication: Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.
• Authors of publication: Schorpp, Marcel; Krossing, Ingo
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 2068 - 2076
• a: 17.765 ± 0.006 Å
• b: 20.654 ± 0.007 Å
• c: 20.031 ± 0.008 Å
• α: 90°
• β: 93.018 ± 0.014°
• γ: 90°
• Cell volume: 7340 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No