Information card for entry 7717076

Structure parameters

• Formula: C28 H42 Dy I2 N3 O
• Calculated formula: C28 H42 Dy I2 N3 O
• Title of publication: Enhancing magnetic properties of Dy(III) single-molecule magnets in octahedral coordination symmetry by tuning the equatorial ligands
• Authors of publication: Peng, Xiao-Han; Shang, Tao; Zheng, Jieyu; Liu, Ming; Zheng, Qi; Guo, Fu-Sheng
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 9.1597 ± 0.0006 Å
• b: 18.4547 ± 0.0012 Å
• c: 19.0883 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3226.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No