Information card for entry 7230467

Structure parameters

• Common name: DySc2N@Ih(7)-C80/Ni(OEP)/1.28Toluene/0.72Benzene
• Chemical name: DySc2N@Ih(7)-C80/Ni(OEP)-P-1
• Formula: C129.29 H58.28 Dy N5 Ni Sc2
• Calculated formula: C129.284 H58.284 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: 14.57 ± 0.003 Å
• b: 14.68 ± 0.003 Å
• c: 20.28 ± 0.004 Å
• α: 83.73 ± 0.03°
• β: 84.16 ± 0.03°
• γ: 60.6 ± 0.03°
• Cell volume: 3750.6 ± 1.7 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: 0.1579
• Residual factor for significantly intense reflections: 0.1548
• Weighted residual factors for significantly intense reflections: 0.4272
• Weighted residual factors for all reflections included in the refinement: 0.4295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.896 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No