Information card for entry 4349111

Structure parameters

• Formula: C20 H39 Cl3 Dy N O21
• Calculated formula: C20 H39 Cl3 Dy N O21
• SMILES: [Dy]1234567([O]8CC[O]3CC[O]2CC[O]1CC8)[O]1CC[O]4CC[O]5CC[O]6CC[O]7CC1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC
• Title of publication: Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes
• Authors of publication: Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 798
• a: 19.7259 ± 0.0006 Å
• b: 17.2456 ± 0.0006 Å
• c: 29.085 ± 0.0009 Å
• α: 90°
• β: 107.194 ± 0.001°
• γ: 90°
• Cell volume: 9452.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0385
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0731
• 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