Information card for entry 7713406

Structure parameters

• Formula: C87.85 H81.7 B2 Cl1.7 Dy N7 O
• Calculated formula: C87.85 H81.7 B2 Cl1.7 Dy N7 O
• Title of publication: Boosting mono-axial crystal field in stable high-coordinate Dy(III) single-ion magnets by substitution of phenoxy axial ligand
• Authors of publication: Zhang, Ben; Zhou, Yang; Dong, Chang; Xiang, Yi; Shi, Yanbo; Zhang, Chennan; Yuan, Aihua; Zheng, Shaojun; Li, Zhaoyang; Zhang, Yi-Quan; Yang, Yong; Chen, Lei
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 20.136 ± 0.008 Å
• b: 13.581 ± 0.005 Å
• c: 27.587 ± 0.011 Å
• α: 90°
• β: 91.308 ± 0.01°
• γ: 90°
• Cell volume: 7542 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0501
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No