Information card for entry 7717002

Structure parameters

• Formula: C60 H54 B Cl8 Dy N8 O6
• Calculated formula: C60 H54 B Cl8 Dy N8 O6
• Title of publication: Modulation of the magnetic properties of mononuclear Dy(III) complexes by tuning the coordination geometry and local symmetry
• Authors of publication: Zhou, Xuejuan; Qin, Huiliang; Zeng, Zhaopeng; Luo, S. C.; Yang, Tao; Cen, Peipei; Liu, Xiangyu
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 12.429 ± 0.005 Å
• b: 16.344 ± 0.006 Å
• c: 30.943 ± 0.01 Å
• α: 90°
• β: 93.964 ± 0.012°
• γ: 90°
• Cell volume: 6271 ± 4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No