Information card for entry 4349634

Structure parameters

• Formula: C72 H50 Dy2 F12 O14
• Calculated formula: C72 H50 Dy2 F12 O14
• SMILES: C[O]1c2cccc3c2[O]2[Dy]456([O]3C)(OC(C(F)(F)F)=CC(=[O]4)c3cc4ccccc4cc3)([O]=C(C=C(C(F)(F)F)O5)c3cc4ccccc4cc3)[O](C)c3cccc4c3[O]6[Dy]3512([O]4C)(OC(C(F)(F)F)=CC(=[O]3)c1cc2ccccc2cc1)[O]=C(C=C(C(F)(F)F)O5)c1cc2ccccc2cc1
• Title of publication: Complementation and joint contribution of appropriate intramolecular coupling and local ion symmetry to improve magnetic relaxation in a series of dinuclear Dy2 single-molecule magnets
• Authors of publication: Tu, Hao-Ran; Sun, Wen-Bin; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Zhang, Wan-Ying; Zhang, Yi-Quan; Yan, Peng-Fei
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 499
• a: 26.2297 ± 0.0006 Å
• b: 14.2596 ± 0.0003 Å
• c: 18.5801 ± 0.0005 Å
• α: 90°
• β: 105.255 ± 0.003°
• γ: 90°
• Cell volume: 6704.6 ± 0.3 ų
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No