Information card for entry 7709071

Structure parameters

• Formula: C46 H39 Cl Dy N7 O7
• Calculated formula: C46 H39 Cl Dy N7 O7
• SMILES: [Dy]1234(Oc5ccccc5C=[N]1O)(Oc1ccccc1C=[N]2O)([n]1cccc2c1c1[n]3cccc1cc2)[n]1cccc2ccc3ccc[n]4c3c12.[Cl-].Oc1ccccc1/C=N/O.OC
• 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: 13.5337 ± 0.0019 Å
• b: 18.459 ± 0.003 Å
• c: 18.405 ± 0.002 Å
• α: 90°
• β: 111.693 ± 0.009°
• γ: 90°
• Cell volume: 4272.3 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0326
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No