Information card for entry 7230466

Structure parameters

• Common name: DySc2N@Ih(7)-C80/Ni(OEP)/2(C6H6)
• Chemical name: DySc2N@Ih(7)-C80/Ni(OEP in C2/c
• Formula: C125 H53 Dy N5 Ni Sc2
• Calculated formula: C125 H53 Dy N5 Ni Sc2
• Title of publication: Magnetization relaxation in the single-ion magnet DySc₂N@C₈₀: quantum tunneling, magnetic dilution, and unconventional temperature dependence.
• Authors of publication: Krylov, D. S.; Liu, F.; Brandenburg, A.; Spree, L.; Bon, V.; Kaskel, S.; Wolter, A. U. B.; Büchner, B; Avdoshenko, S. M.; Popov, A. A.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 17
• Pages of publication: 11656 - 11672
• a: 25.19 ± 0.005 Å
• b: 15.05 ± 0.003 Å
• c: 39.49 ± 0.008 Å
• α: 90°
• β: 95.46 ± 0.03°
• γ: 90°
• Cell volume: 14903 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1702
• Residual factor for significantly intense reflections: 0.1131
• Weighted residual factors for significantly intense reflections: 0.3181
• Weighted residual factors for all reflections included in the refinement: 0.3667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.896 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No