Information card for entry 1573410

Structure parameters

• Chemical name: [Dy{OC(CF3)3}2(FPh)5][{Al[OC(CF3)3]3}2(F)]
• Formula: C62 H25 Al2 Dy F78 O8
• Calculated formula: C62 H25 Al2 Dy F78 O8
• Title of publication: A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.
• Authors of publication: Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 2
• Pages of publication: 610 - 620
• a: 21.7517 ± 0.0007 Å
• b: 20.9203 ± 0.0007 Å
• c: 18.7796 ± 0.0005 Å
• α: 90°
• β: 93.564 ± 0.003°
• γ: 90°
• Cell volume: 8529.2 ± 0.5 ų
• Cell temperature: 103 ± 5 K
• Ambient diffraction temperature: 103 ± 5 K
• Number of distinct elements: 6
• 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: 0.1512
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2111
• Weighted residual factors for all reflections included in the refinement: 0.2544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No