Information card for entry 7711803

Structure parameters

• Formula: C22 H28 Cl3 Dy N6 O4
• Calculated formula: C20 H22 Cl3 Dy N6 O3
• SMILES: [Dy]123(Cl)(Cl)(Oc4c(N)cc(N(=O)=O)cc4Cl)[n]4c(C[NH]3CC[NH]1Cc1[n]2cccc1)cccc4
• Title of publication: Effects of strong coordination bonds at the axial or equatorial positions on magnetic relaxation for pentagonal bipyramidal dysprosium(III) single-ion magnets.
• Authors of publication: Li, Min; Han, Jiayi; Wu, Haipeng; Du, Yi-En; Liu, Yufang; Chen, Yongqiang; Chen, Sanping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 44
• Pages of publication: 16964 - 16972
• a: 9.6107 ± 0.0018 Å
• b: 22.067 ± 0.004 Å
• c: 13.874 ± 0.003 Å
• α: 90°
• β: 107.554 ± 0.003°
• γ: 90°
• Cell volume: 2805.4 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1156
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No