Information card for entry 7057980

Structure parameters

• Formula: C43 H40 Dy F3 N4 O7
• Calculated formula: C43 H40 Dy F3 N4 O7
• Title of publication: Designing a mononuclear DyIII single-molecule magnet (SMM) by using a N,O,N,O-based multichelating Schiff base ligand and a β-diketonate ligand
• Authors of publication: Zhang, Sheng; Mo, Wenjiao; Yin, Bing; Lü, Xingqiang; Zhang, Jiangwei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 454
• a: 10.9674 ± 0.0008 Å
• b: 11.0167 ± 0.0015 Å
• c: 33.215 ± 0.003 Å
• α: 90°
• β: 95.602 ± 0.009°
• γ: 90°
• Cell volume: 3994 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0845
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No