Information card for entry 7713405

Structure parameters

• Formula: C89 H84 B2 Cl6 Dy N7 O2
• Calculated formula: C87 H80 B2 Cl2 Dy N7 O2
• SMILES: [Dy]123456([n]7ccccc7C[N]6(Cc6[n]1cccc6)Cc1[n]5c(ccc1)C[N]3(Cc1[n]4cccc1)Cc1[n]2cccc1)Oc1ccc(OC)cc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 13.155 ± 0.003 Å
• b: 14.354 ± 0.003 Å
• c: 24.759 ± 0.006 Å
• α: 106.34 ± 0.013°
• β: 90.908 ± 0.012°
• γ: 115.959 ± 0.011°
• Cell volume: 3981 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0415
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0375
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No