Information card for entry 4349110

Structure parameters

• Formula: C16 H42 Cl4 Dy2 O30
• Calculated formula: C16 H42 Cl4 Dy2 O30
• SMILES: C1C[O]2CC[O]3CC[O]4CC[O]1[Dy]1234([OH2])([OH2])[OH][Dy]234([O]5CC[O]2CC[O]3CC[O]4CC5)([OH]1)([OH2])[OH2].[O-]Cl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-].[O-]Cl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-]
• 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: 8.6312 ± 0.0008 Å
• b: 19.9383 ± 0.0018 Å
• c: 11.2062 ± 0.001 Å
• α: 90°
• β: 111.576 ± 0.001°
• γ: 90°
• Cell volume: 1793.4 ± 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: 0.029
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No