Information card for entry 1565248

Structure parameters

• Formula: C22 H20 Br4 Cl3 Dy N2 O3
• Calculated formula: C22 H20 Br4 Cl3 Dy N2 O3
• SMILES: [Dy](Cl)(Cl)(Cl)([O]=c1c2[nH]c(C)ccc2c(Br)cc1Br)([O]=c1c2[nH]c(C)ccc2c(Br)cc1Br)[OH]CC
• Title of publication: Investigation of magneto-structural relation based on a series of mononuclear dysprosium single-ion magnets with high Oh symmetry
• Authors of publication: Yin, Xiuju; Li, Shixiong; Liao, Beiling
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 504
• Pages of publication: 119451
• a: 10.46 ± 0.006 Å
• b: 7.275 ± 0.004 Å
• c: 36.7 ± 0.02 Å
• α: 90°
• β: 91.994 ± 0.008°
• γ: 90°
• Cell volume: 2791 ± 3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No