Information card for entry 7712037

Structure parameters

• Formula: C66 H42 Dy2 F18 N4 O12
• Calculated formula: C66 H42 Dy2 F18 N4 O12
• SMILES: [Dy]123456([n]7cc(ccc7c7[n]1cc(cc7)C)C)[O]=C(C=C(O2)c1cc(ccc1)C1O[Dy]278([n]9c(c%10[n]2cc(cc%10)C)ccc(c9)C)([O]=C(C=1)C(F)(F)F)(OC(=CC(=[O]7)C(F)(F)F)c1cccc(C(=CC(=[O]3)C(F)(F)F)O4)c1)OC(c1cccc(C(O6)=CC(=[O]5)C(F)(F)F)c1)=CC(=[O]8)C(F)(F)F)C(F)(F)F
• Title of publication: Influence of ligand substitution and the solvent effect on the structures and magnetic properties of dinuclear Dy₂ supramolecular architectures constructed with the bis-β-diketonate-Dy₂ building block as a metalloligand.
• Authors of publication: Tang, Jiamin; Zhang, Sheng; Li, Linzhou; Yao, Linbin; Zhang, Ronghu; Yin, Bing; Zhang, Jiangwei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1366 - 1377
• a: 19.5484 ± 0.0006 Å
• b: 21.4427 ± 0.0006 Å
• c: 18.8657 ± 0.0007 Å
• α: 90°
• β: 118.708 ± 0.004°
• γ: 90°
• Cell volume: 6935.9 ± 0.5 ų
• Cell temperature: 293 ± 0.2 K
• Ambient diffraction temperature: 293 ± 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: 0.0746
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No