Information card for entry 7704641

Structure parameters

• Formula: C40 H46 Cl2 Dy2 N4 O13
• Calculated formula: C40 H46 Cl2 Dy2 N4 O13
• SMILES: [Dy]123456([O]7[Dy]89([O]1c1c(cccc1[O]8C)C[N]6=Cc1c(O3)cc(Cl)cc1)(Oc1cc(Cl)ccc1C=[N]9Cc1c7c([O]2C)ccc1)([O]=C(O4)C)OC(=O)C)ON(=O)=[O]5.[NH+](CC)(CC)CC
• Title of publication: Designing asymmetric Dy₂ single-molecule magnets with two-step relaxation processes by the modification of the coordination environments of Dy(iii) ions.
• Authors of publication: Huang, Yuan; Li, Jia-Xin; Ge, Yu; Zhang, Xia-Mei; Xu, Yang; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-Lei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 26
• Pages of publication: 8976 - 8984
• a: 9.9104 ± 0.0005 Å
• b: 13.649 ± 0.0007 Å
• c: 17.3574 ± 0.0009 Å
• α: 99.61 ± 0.002°
• β: 106.439 ± 0.002°
• γ: 94.958 ± 0.002°
• Cell volume: 2198 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No