Information card for entry 4349479

Structure parameters

• Formula: C73 H63 Dy Li N O4
• Calculated formula: C73 H63 Dy Li N O4
• SMILES: [Dy]1([O](C(c2ccccc2)(c2ccccc2)c2ccccc2)[Li]([O]1C(c1ccccc1)(c1ccccc1)c1ccccc1)[O]1CCCC1)(N(c1ccccc1)c1ccccc1)OC(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 17.1728 ± 0.0013 Å
• b: 18.0592 ± 0.0013 Å
• c: 19.3313 ± 0.0014 Å
• α: 90°
• β: 95.064 ± 0.001°
• γ: 90°
• Cell volume: 5971.8 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No