Information card for entry 7061827

Structure parameters

• Formula: C28 H28 Dy N3 O11 Zn
• Calculated formula: C28 H28 Dy N3 O11 Zn
• SMILES: [Dy]123456([O]7[Zn]89([O]1c1c([O]3C)cc(cc1C=[N]9c1c([N]8=Cc3c7c([O]2C)cc(c3)C)cccc1)C)[O]=C(O4)C)([O]=N(=O)O5)[O]=C(O6)C
• Title of publication: Influence of bridging and chelating co-ligands on the distinct single-molecule magnetic behaviours in ZnDy complexes
• Authors of publication: Panja, Anangamohan; Jagličić, Zvonko; Herchel, Radovan; Brandão, Paula; Jana, Narayan Ch.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 39
• Pages of publication: 18751 - 18763
• a: 13.183 ± 0.004 Å
• b: 14.076 ± 0.004 Å
• c: 15.695 ± 0.006 Å
• α: 90°
• β: 95.718 ± 0.014°
• γ: 90°
• Cell volume: 2897.9 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0278
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No