Information card for entry 4349478

Structure parameters

• Formula: C64 H72 Dy Li N4 O4
• Calculated formula: C64 H72 Dy Li N4 O4
• SMILES: c1(ccccc1)N(c1ccccc1)[Dy](N(c1ccccc1)c1ccccc1)(N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Magnetic relaxations in four-coordinate Dy(iii) complexes: effects of anionic surroundings and short Dy‒O bonds
• Authors of publication: Yu, Ke-Xin; Ding, You-Song; Han, Tian; Leng, Ji-Dong; Zheng, Yan-Zhen
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 1028
• a: 17.2073 ± 0.0011 Å
• b: 15.8244 ± 0.001 Å
• c: 20.0712 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5465.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No