Information card for entry 4349106

Structure parameters

• Formula: C36 H44 B Dy N2 O12
• Calculated formula: C36 H44 B Dy N2 O12
• SMILES: [Dy]1234567(ON(=O)=[O]1)(ON(=[O]3)=O)[O]1CC[O]4CC[O]2CC[O]5CC[O]6CC[O]7CC1.c1cccc(c1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 13.063 ± 0.001 Å
• b: 14.8712 ± 0.0011 Å
• c: 18.7622 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3644.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No