Information card for entry 1573408

Structure parameters

• Chemical name: [Y(Cp*)(FPh)6][{Al[OC(CF3)3]3}2(F)]
• Formula: C206 H123 Al8 F233 O24 Y2
• Calculated formula: C206 H123 Al8 F233 O24 Y2
• 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: 18.06498 ± 0.0001 Å
• b: 19.02813 ± 0.00013 Å
• c: 39.8336 ± 0.0002 Å
• α: 90°
• β: 94.9425 ± 0.0005°
• γ: 90°
• Cell volume: 13641.6 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1243
• Residual factor for significantly intense reflections: 0.1186
• Weighted residual factors for significantly intense reflections: 0.3773
• Weighted residual factors for all reflections included in the refinement: 0.3889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.919
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No