Information card for entry 4349626

Structure parameters

• Formula: C48 H38 F12 O14 S4 Y2
• Calculated formula: C48 H38 F12 O14 S4 Y2
• SMILES: c1c(C2=[O][Y]3456([O](c7cccc8c7[O]3[Y]379([O]8C)([O](c8cccc(c8[O]63)[O]5C)C)(OC(=CC(c3cccs3)=[O]7)C(F)(F)F)OC(=CC(c3sccc3)=[O]9)C(F)(F)F)C)(OC(=C2)C(F)(F)F)OC(=CC(c2sccc2)=[O]4)C(F)(F)F)scc1
• 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: 10.9144 ± 0.0007 Å
• b: 11.052 ± 0.0009 Å
• c: 13.0251 ± 0.0012 Å
• α: 71.071 ± 0.008°
• β: 76.611 ± 0.007°
• γ: 67.152 ± 0.007°
• Cell volume: 1359.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No