Information card for entry 7124280

Structure parameters

• Common name: Ho2LuN@Ih(7)-C80/NiOEP/2C6H6
• Formula: C128 H56 Ho2 Lu N5 Ni
• Calculated formula: C128 H56 Ho1.9998 Lu0.9994 N5 Ni
• Title of publication: Molecular Spinning Top: Visualizing the Dynamics of M3N@C80 with Variable Temperature Single Crystal X-ray Diffraction
• Authors of publication: Liu, Fupin; Spree, Lukas
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 14.81 ± 0.003 Å
• b: 15.5 ± 0.003 Å
• c: 17.94 ± 0.004 Å
• α: 81.15 ± 0.03°
• β: 73.94 ± 0.03°
• γ: 86.15 ± 0.03°
• Cell volume: 3909.1 ± 1.5 ų
• Cell temperature: 280 ± 2 K
• Ambient diffraction temperature: 280 ± 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: 0.181
• Residual factor for significantly intense reflections: 0.1462
• Weighted residual factors for significantly intense reflections: 0.418
• Weighted residual factors for all reflections included in the refinement: 0.4549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.868
• Diffraction radiation wavelength: 0.89429 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No