Information card for entry 7709924

Structure parameters

• Formula: C14 H12 Cl5 Dy N4
• Calculated formula: C14 H12 Cl5 Dy N4
• SMILES: [Dy]123(Cl)(Cl)(Cl)[n]4ccc(Cl)cc4C=[N]1CC[N]2=Cc1[n]3ccc(Cl)c1
• 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: 7.1296 ± 0.0004 Å
• b: 21.1133 ± 0.0015 Å
• c: 13.1118 ± 0.0009 Å
• α: 90°
• β: 91.917 ± 0.006°
• γ: 90°
• Cell volume: 1972.6 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No