Information card for entry 4349629

Structure parameters

• Formula: C74 H62 Dy2 F12 O18
• Calculated formula: C74 H62 Dy2 F12 O18
• SMILES: C1(=[O][Dy]2345(OC(=C1)C(F)(F)F)(OC(C(F)(F)F)=CC(=[O]5)c1ccc5ccccc5c1)([OH]C)[O](c1cccc5[O](C)[Dy]678([O](c9cccc([O]4C)c9[O]26)C)([O]3c15)([O]=C(C=C(C(F)(F)F)O7)c1ccc2ccccc2c1)([O]=C(C=C(O8)C(F)(F)F)c1ccc2ccccc2c1)[OH]C)C)c1ccc2ccccc2c1.O.O
• 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: 10.4693 ± 0.0005 Å
• b: 14.2053 ± 0.0008 Å
• c: 14.5234 ± 0.0007 Å
• α: 105.513 ± 0.005°
• β: 101.95 ± 0.004°
• γ: 111.582 ± 0.005°
• Cell volume: 1819.4 ± 0.2 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: 0.0579
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No