Information card for entry 7130158

Structure parameters

• Formula: C116 H44 Dy1.97 N4 Ni O
• Calculated formula: C116 H44 Dy1.9671 N4 Ni O
• Title of publication: Metallofullerene single-molecule magnet Dy2O@C2v(5)-C80 with a strong antiferromagnetic Dy···Dy coupling
• Authors of publication: Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, Fupin; Avdoshenko, Stanislav; Chen, Ning; Popov, Alexey A.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 17.757 ± 0.004 Å
• b: 16.954 ± 0.003 Å
• c: 26.591 ± 0.005 Å
• α: 90°
• β: 107.35 ± 0.03°
• γ: 90°
• Cell volume: 7641 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1613
• Residual factor for significantly intense reflections: 0.1492
• Weighted residual factors for significantly intense reflections: 0.3365
• Weighted residual factors for all reflections included in the refinement: 0.3428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No