Information card for entry 7714453

Structure parameters

• Formula: C20 H24 Dy N9 O10
• Calculated formula: C20 H24 Dy N9 O10
• SMILES: [Dy]1234567([n]8c9C=[N]5CCC[N]3=Cc3[n]1c(C=[N]2CCC[N]4=Cc8ccc9)ccc3)(ON(=[O]6)=O)ON(=[O]7)=O.O=N(=O)[O-].O
• Title of publication: Influence of Symmetry on the Magneto-Optical Properties of a Bifunctional Macrocyclic DyIII Complex
• Authors of publication: Gil, Yolimar; de Santana, Ricardo Costa; Vega, Andres; Aravena, Daniel; Spodine, Evgenia
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.4207 ± 0.0018 Å
• b: 18.561 ± 0.003 Å
• c: 11.3906 ± 0.0015 Å
• α: 90°
• β: 112.65 ± 0.002°
• γ: 90°
• Cell volume: 2618.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0267
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No