Information card for entry 7701289

Structure parameters

• Formula: C14 H18 Cl3 Dy N4
• Calculated formula: C14 H18 Cl3 Dy N4
• Title of publication: Fine-tuning the type of equatorial donor atom in pentagonal bipyramidal Dy(III) complexes to enhance single-molecule magnet properties
• Authors of publication: Wu, Haipeng; Li, Min; Yin, Bing; Xia, Zhengqiang; Ke, Hongshan; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Sheng-li
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 11.8991 ± 0.0012 Å
• b: 9.1987 ± 0.0009 Å
• c: 16.9903 ± 0.0017 Å
• α: 90°
• β: 90.659 ± 0.002°
• γ: 90°
• Cell volume: 1859.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0363
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No