Information card for entry 7124277

Structure parameters

• Common name: Lu3N@Ih(7)-C80/NiOEP/2C6H6
• Formula: C128 H56 Lu3 N5 Ni
• Calculated formula: C128 H56 Lu2.9988 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: 14.78 ± 0.003 Å
• b: 15.48 ± 0.003 Å
• c: 17.86 ± 0.004 Å
• α: 81.2 ± 0.03°
• β: 74.11 ± 0.03°
• γ: 86.2 ± 0.03°
• Cell volume: 3882.6 ± 1.5 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.219
• Residual factor for significantly intense reflections: 0.1576
• Weighted residual factors for significantly intense reflections: 0.3972
• Weighted residual factors for all reflections included in the refinement: 0.4704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.694
• Diffraction radiation wavelength: 0.89429 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No