Information card for entry 4349107

Structure parameters

• Formula: C12 H24 Cl Dy N2 O16
• Calculated formula: C12 H24 Cl Dy N2 O16
• SMILES: C1C[O]2[Dy]345678([O]1CC[O]4CC[O]3CC[O]5CC[O]6CC2)(ON(=O)=[O]7)ON(=[O]8)=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: 24.3304 ± 0.0018 Å
• b: 10.8059 ± 0.0008 Å
• c: 8.3756 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2202 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No