Information card for entry 7701292

Structure parameters

• Formula: C96 H72 Cl18 Dy3 N21 O27
• Calculated formula: C96 H72 Cl18 Dy3 N21 O27
• 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: 23.3141 ± 0.0007 Å
• b: 18.7255 ± 0.0006 Å
• c: 26.6532 ± 0.0007 Å
• α: 90°
• β: 90.387 ± 0.001°
• γ: 90°
• Cell volume: 11635.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0966
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No