Information card for entry 4349765

Structure parameters

• Chemical name: Dy2L4
• Formula: C48 H56 Dy2 N8 O15
• Calculated formula: C48 H56 Dy2 N8 O15
• SMILES: [Dy]123456([O](c7cccc8ccc([n]4c78)C)[Dy]478([O]2c2cccc9ccc([n]5c29)C)([O]3c2cccc3ccc([n]6c23)C)(ON(=[O]8)=O)(ON(=[O]4)=O)ON(=[O]7)=O)Oc3cccc2ccc([n]1c32)C.[NH+](CC)(CC)CC.OCC.O
• 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: 13.2768 ± 0.0004 Å
• b: 11.5328 ± 0.0003 Å
• c: 35.204 ± 0.0009 Å
• α: 90°
• β: 98.806 ± 0.001°
• γ: 90°
• Cell volume: 5326.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No