Information card for entry 1557034

Structure parameters

• Formula: C66 H30 Al3 F89 O9 Sr
• Calculated formula: C66 H30 Al3 F89 O9 Sr
• 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: 13.5412 ± 0.0009 Å
• b: 25.3825 ± 0.0017 Å
• c: 27.3385 ± 0.0017 Å
• α: 90.017 ± 0.002°
• β: 90.111 ± 0.002°
• γ: 92.474 ± 0.002°
• Cell volume: 9387.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0746
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No