Information card for entry 1551411

Structure parameters

• Common name: DyGd2N@Ih(7)-C80/NiOEP/2C6H6
• Formula: C128 H56 Dy Gd2 N5 Ni
• Calculated formula: C128 H56 Dy Gd2 N5 Ni
• Title of publication: Mixed dysprosium-lanthanide nitride clusterfullerenes DyM₂N@C₈₀-I_h and Dy₂MN@C₈₀-I_h (M = Gd, Er, Tm, and Lu): synthesis, molecular structure, and quantum motion of the endohedral nitrogen atom.
• Authors of publication: Schlesier, C.; Liu, F.; Dubrovin, V.; Spree, L.; Büchner, B; Avdoshenko, S. M.; Popov, A. A.
• Journal of publication: Nanoscale
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 27
• Pages of publication: 13139 - 13153
• a: 25.23 ± 0.005 Å
• b: 15.05 ± 0.003 Å
• c: 39.41 ± 0.008 Å
• α: 90°
• β: 95.27 ± 0.03°
• γ: 90°
• Cell volume: 14901 ± 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: 0.1198
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.2057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.89429 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No