Information card for entry 1557826

Structure parameters

• Chemical name: Dy2O@Cs(10528)-C72
• Formula: C120 H56 Dy2 N4 Ni O
• Calculated formula: C120 H56 Dy2 N4 Ni O
• Title of publication: Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy‒(μ2-O)‒Dy angle
• Authors of publication: Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, XinYe; Büchner, Bernd; Avdoshenko, Stanislav M.; Chen, Ning; Popov, Alexey A.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 18
• Pages of publication: 4766 - 4772
• a: 14.3857 ± 0.0007 Å
• b: 14.7255 ± 0.0006 Å
• c: 19.1301 ± 0.0009 Å
• α: 84.837 ± 0.002°
• β: 88.064 ± 0.002°
• γ: 61.889 ± 0.002°
• Cell volume: 3559.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 119.98 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: 0.1011
• Residual factor for significantly intense reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.2726
• Weighted residual factors for all reflections included in the refinement: 0.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No