Information card for entry 7709123

Structure parameters

• Formula: C51 H36 Dy I3 N6 O12
• Calculated formula: C51 H36 Dy I3 N6 O12
• SMILES: [Dy]123(Oc4c(/C=[NH+]/c5ccc(I)cc5)c5c(cc4)cccc5)([O]=N(=O)O1)(Oc1c(/C=[NH+]/c4ccc(I)cc4)c4c(cc1)cccc4)(Oc1c(c4ccccc4cc1)/C=[NH+]/c1ccc(I)cc1)(ON(=[O]3)=O)ON(=O)=[O]2
• Title of publication: Four mononuclear dysprosium complexes with neutral Schiff-base ligands: syntheses, crystal structures and slow magnetic relaxation behavior
• Authors of publication: Yang, Hui; Liu, Shan-Shan; Meng, Yin-Shan; Zhang, Yi-Quan; Pu, Lin; Wang, Xincheng; Lin, Shijing
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 16.6705 ± 0.0005 Å
• b: 19.3672 ± 0.0005 Å
• c: 17.533 ± 0.0007 Å
• α: 90°
• β: 116.048 ± 0.004°
• γ: 90°
• Cell volume: 5085.7 ± 0.3 ų
• Cell temperature: 285 ± 16 K
• Ambient diffraction temperature: 285 ± 16 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: 0.0852
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.2039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0368
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No