Information card for entry 7234198

Structure parameters

• Formula: C44 H39 Dy F9 N3 O7 S
• Calculated formula: C44 H39 Dy F9 N3 O7 S
• Title of publication: Exploiting single-molecule magnets of beta-diketone dysprosium complexes with C3v symmetry: suppression of quantum tunneling of magnetization
• Authors of publication: Yanping Dong; Pengfei Yan; Xiaoyan Zou; Tianqi Liu; Guangming Li
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 4407 - 4415
• a: 12.2553 ± 0.0006 Å
• b: 13.2445 ± 0.0006 Å
• c: 15.0997 ± 0.0007 Å
• α: 94.56 ± 0.004°
• β: 93.878 ± 0.004°
• γ: 109.954 ± 0.004°
• Cell volume: 2284.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No