Information card for entry 7120284

Structure parameters

• Common name: Dy2ScN@Ih(7)-C80/Ni(OEP)/2(C6H6)
• Formula: C128 H56 Dy2 N5 Ni Sc
• Calculated formula: C128 H56 Dy2 N5 Ni Sc
• Title of publication: Record-high thermal barrier of the relaxation of magnetization in the nitride clusterfullerene Dy2ScN@C80-Ih
• Authors of publication: Krylov, Denis; Liu, Fupin; Avdoshenko, Stanislav; Spree, Lukas; Weise, Bruno; Waske, Anja; Wolter, A.; Buechner, Bernd; Popov, Alexey A.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 14.7 ± 0.003 Å
• b: 15.38 ± 0.003 Å
• c: 17.71 ± 0.004 Å
• α: 81.08 ± 0.03°
• β: 74.46 ± 0.03°
• γ: 86.41 ± 0.03°
• Cell volume: 3810 ± 1.5 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: 0.0992
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.2458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.896 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No