Information card for entry 7717001

Structure parameters

• Formula: C68 H69 Cl8 Dy2 F12 N16 O17 P2
• Calculated formula: C68 H69 Cl8 Dy2 F12 N16 O17 P2
• 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: 12.6622 ± 0.0007 Å
• b: 18.6466 ± 0.0012 Å
• c: 19.8147 ± 0.0013 Å
• α: 105.48 ± 0.002°
• β: 91.339 ± 0.002°
• γ: 103.205 ± 0.002°
• Cell volume: 4371.7 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No