Information card for entry 4349633

Structure parameters

• Formula: C56 H42 Dy2 F12 O14
• Calculated formula: C56 H42 Dy2 F12 O14
• SMILES: C[O]1c2cccc3c2[O]2[Dy]4561(OC(C(F)(F)F)=CC(=[O]4)c1ccccc1)([O](c1cccc4c1[O]5[Dy]152([O]3C)([O]=C(C=C(O5)C(F)(F)F)c2ccccc2)([O]4C)OC(C(F)(F)F)=CC(=[O]1)c1ccccc1)C)[O]=C(C=C(O6)C(F)(F)F)c1ccccc1
• 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: 9.7688 ± 0.0006 Å
• b: 12.7894 ± 0.0008 Å
• c: 13.0685 ± 0.0008 Å
• α: 113.112 ± 0.006°
• β: 105.241 ± 0.005°
• γ: 99.434 ± 0.005°
• Cell volume: 1381.69 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No