Information card for entry 1565247

Structure parameters

• Formula: C21 H18 Br4 Cl3 Dy N2 O3
• Calculated formula: C21 H18 Br4 Cl3 Dy N2 O3
• SMILES: [Dy](Cl)([O]=c1c2[nH]c(ccc2c(Br)cc1Br)C)([O]=c1c2[nH]c(ccc2c(Br)cc1Br)C)(Cl)(Cl)[OH]C
• 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: 7.206 ± 0.003 Å
• b: 18.089 ± 0.008 Å
• c: 21.259 ± 0.009 Å
• α: 90°
• β: 104.489 ± 0.013°
• γ: 90°
• Cell volume: 2683 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1632
• Residual factor for significantly intense reflections: 0.1215
• Weighted residual factors for significantly intense reflections: 0.2754
• Weighted residual factors for all reflections included in the refinement: 0.2922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No