Information card for entry 1573413

Structure parameters

• Chemical name: [Y(Cp''')(Cp*)(FPh)2][{Al[OC(CF3)3]3}2(F)]
• Formula: C60 H54 Al2 F57 O6 Si3 Y
• Calculated formula: C60 H54 Al2 F57 O6 Si3 Y
• 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: 16.6426 ± 0.0005 Å
• b: 16.7663 ± 0.0004 Å
• c: 18.4889 ± 0.0003 Å
• α: 105.461 ± 0.002°
• β: 104.692 ± 0.002°
• γ: 113.53 ± 0.003°
• Cell volume: 4163.3 ± 0.3 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.2566
• Weighted residual factors for all reflections included in the refinement: 0.2741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No