Information card for entry 7060156

Structure parameters

• Formula: C41 H52 Cl2 Dy2 N5 O16
• Calculated formula: C41 H52 Cl2 Dy2 N5 O16
• SMILES: [Dy]12345([O](c6c7[O]3[Dy]389([O]2c2c(cccc2[O]3CC)C[N]4=Cc2cc(Cl)ccc2O1)(Oc1c(C=[N]9Cc7ccc6)cc(Cl)cc1)([O]=N(=O)O8)[O]=CN(C)C)CC)(OCC)[O]=N(O5)=O.OCC.OCC
• Title of publication: Assembling two Dy2 single-molecule magnets with different energy barriers via fine-tuning the geometries of DyIII sites
• Authors of publication: Li, Dawei; Ding, Man-Man; Ge, Yu; Tello Yepes, David Felipe; Sun, Mingyuan; Najib, Muhammad Saleem; Li, Yahong; Zhang, Yi-Quan; Yao, Jin-lei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20634 - 20642
• a: 23.156 ± 0.0009 Å
• b: 12.3704 ± 0.0005 Å
• c: 16.9025 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4841.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No