Information card for entry 7708882

Structure parameters

• Formula: C30 H32 Cl Dy N4 O4
• Calculated formula: C30 H32 Cl Dy N4 O4
• SMILES: [Dy]12345(Cl)Oc6c(C[N]4(CC[N]3(Cc3[n]2cccc3)Cc2cccc(OC)c2O1)Cc1[n]5cccc1)cccc6OC
• Title of publication: Regulating the magnetic properties of seven-coordinated Dy(III) single-ion magnets through the effect of positional isomers on axial crystal-field.
• Authors of publication: Dong, Yubao; Zhu, Li; Yin, Bing; Zhu, Xinrui; Li, Dongfeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• a: 8.6071 ± 0.0013 Å
• b: 17.845 ± 0.003 Å
• c: 18.836 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2893.1 ± 0.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0162
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No