Information card for entry 7717000

Structure parameters

• Formula: C51 H54 B Cl2 Dy N6 O4
• Calculated formula: C51 H54 B Cl2 Dy N6 O4
• 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: 10.4067 ± 0.0005 Å
• b: 14.5674 ± 0.0007 Å
• c: 16.9951 ± 0.0009 Å
• α: 75.868 ± 0.002°
• β: 81.87 ± 0.002°
• γ: 79.324 ± 0.002°
• Cell volume: 2442.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 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: 0.0475
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No