Information card for entry 4349625

Structure parameters

• Formula: C48 H38 F12 Gd2 O14 S4
• Calculated formula: C48 H38 F12 Gd2 O14 S4
• SMILES: C[O]1[Gd]2345(OC(=CC(c6cccs6)=[O]2)C(F)(F)F)([O]=C(c2cccs2)C=C(O5)C(F)(F)F)[O](C)c2cccc5c2[O]3[Gd]237([O]5C)([O](C)c5cccc1c5[O]42)(OC(=CC(c1sccc1)=[O]3)C(F)(F)F)[O]=C(c1sccc1)C=C(O7)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: 10.9212 ± 0.0006 Å
• b: 11.0906 ± 0.0006 Å
• c: 13.0365 ± 0.0005 Å
• α: 71.247 ± 0.004°
• β: 76.901 ± 0.004°
• γ: 67.048 ± 0.005°
• Cell volume: 1367.5 ± 0.13 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: 0.0605
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No