Information card for entry 7711802

Structure parameters

• Formula: C21 H21 Cl2 Dy N5 O3
• Calculated formula: C20 H22 Cl2 Dy N6 O3
• SMILES: [Dy]123(Cl)(Cl)(Oc4ccc(cc4N)N(=O)=O)[n]4c(cccc4)C[NH]1CC[NH]2Cc1cccc[n]31
• 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: 9.6018 ± 0.0002 Å
• b: 21.7017 ± 0.0005 Å
• c: 13.7591 ± 0.0003 Å
• α: 90°
• β: 107.146 ± 0.002°
• γ: 90°
• Cell volume: 2739.64 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No