Information card for entry 4349632

Structure parameters

• Formula: C48 H38 Dy2 F12 O14 S4
• Calculated formula: C48 H38 Dy2 F12 O14 S4
• SMILES: C(F)(F)(F)C1=CC(c2sccc2)=[O][Dy]2345(O1)([O](c1c6c(ccc1)[O](C)[Dy]178([O](c9c(c(ccc9)[O]2C)[O]31)C)([O]46)([O]=C(c1sccc1)C=C(C(F)(F)F)O8)OC(=CC(c1sccc1)=[O]7)C(F)(F)F)C)OC(=CC(c1sccc1)=[O]5)C(F)(F)F
• 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: 10.9116 ± 0.0004 Å
• b: 11.0698 ± 0.0005 Å
• c: 13.023 ± 0.0005 Å
• α: 71.207 ± 0.004°
• β: 76.793 ± 0.003°
• γ: 67.239 ± 0.004°
• Cell volume: 1363.46 ± 0.11 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: 0.0504
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No