Information card for entry 7709069

Structure parameters

• Formula: C31 H26 Dy N5 O6
• Calculated formula: C31 H26 Dy N5 O6
• SMILES: [Dy]1234(Oc5ccccc5C=[N]1O)(Oc1ccccc1C=[N]2O)(Oc1ccccc1C=[N]3O)[n]1ccccc1c1[n]4cccc1
• Title of publication: Slow relaxations of Dy(III) single-ion magnets dominated by simultaneous binding of chelating ligands in low-symmetry ligand-fields
• Authors of publication: Dong, Hui-Ming; Liu, Zhong-Yi; Tang, Hui-Min; Yang, En-Cui; Zhang, Yi-Quan; Zhao, Xiao-Jun
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.249 ± 0.002 Å
• b: 10.84 ± 0.003 Å
• c: 14.915 ± 0.003 Å
• α: 90.353 ± 0.005°
• β: 105.031 ± 0.005°
• γ: 111.198 ± 0.004°
• Cell volume: 1482.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No