Information card for entry 7701291

Structure parameters

• Formula: C26 H22 Br4 Cl Dy N6 O6
• Calculated formula: C26 H22 Br4 Cl Dy N6 O6
• 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: 8.2337 ± 0.0008 Å
• b: 11.3866 ± 0.0008 Å
• c: 18.9912 ± 0.0014 Å
• α: 93.466 ± 0.006°
• β: 95.632 ± 0.007°
• γ: 110.499 ± 0.009°
• Cell volume: 1651.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.2434
• Weighted residual factors for all reflections included in the refinement: 0.2682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No