Information card for entry 7709925

Structure parameters

• Formula: C32 H18 Cl8 Dy N7 O9
• Calculated formula: C32 H18 Cl8 Dy N7 O9
• Title of publication: Reversible on-off switching of Dy(III) single-molecule magnets via single-crystal-to-single-crystal transformation
• Authors of publication: Xi, Jing; Cen, Peipei; Guo, Yan; Li, Yuzhu; Qin, Yuanyuan; Zhang, Yi-Quan; Song, Weiming; Liu, Xiangyu
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.0086 ± 0.0005 Å
• b: 16.5773 ± 0.0007 Å
• c: 20.2262 ± 0.001 Å
• α: 90°
• β: 95.797 ± 0.004°
• γ: 90°
• Cell volume: 4005.8 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No