Information card for entry 4349766

Structure parameters

• Chemical name: Dy3L8
• Formula: C80 H64 Dy3 N9 O11
• Calculated formula: C80 H64 Dy3 N9 O11
• SMILES: [Dy]12345([O]([Dy]678([O]9[Dy]%10%11%12([O]6c6c%13[n]%12c(ccc%13ccc6)C)(Oc6c%12[n]%10c(ccc%12ccc6)C)([O]7c6c7[n]%11c(ccc7ccc6)C)[n]6c7c9cccc7ccc6C)([O]1c1cccc6c1[n]4c(C)cc6)([O]2c1c2[n]3c(ccc2ccc1)C)[O]=N(=O)O8)c1cccc2c1nc(cc2)C)Oc1cccc2c1[n]5c(C)cc2
• Title of publication: Construction of lanthanide single-molecule magnets with the “magnetic motif” [Dy(MQ)4]−
• Authors of publication: Lyu, Deng-Ping; Zheng, Jie-Yu; Li, Quan-Wen; Liu, Jun-Liang; Chen, Yan-Cong; Jia, Jian-Hua; Tong, Ming-Liang
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 1776
• a: 15.7278 ± 0.0005 Å
• b: 27.8929 ± 0.001 Å
• c: 15.8319 ± 0.0006 Å
• α: 90°
• β: 94.061 ± 0.001°
• γ: 90°
• Cell volume: 6927.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.033
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No