Information card for entry 4349726

Structure parameters

• Formula: C45 H39 Dy N12 O5 S4
• Calculated formula: C45 H39 Dy N12 O5 S4
• Title of publication: [2 + 2] Photochemical modulation of the Dy(iii) single-molecule magnet: opposite influence on the energy barrier and relaxation time
• Authors of publication: Wang, Long-Fei; Qiu, Jiang-Zhen; Chen, Yan-Cong; Liu, Jun-Liang; Li, Quan-Wen; Jia, Jian-Hua; Tong, Ming-Liang
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 1311
• a: 10.4132 ± 0.0007 Å
• b: 12.4976 ± 0.0007 Å
• c: 19.8741 ± 0.0012 Å
• α: 92.846 ± 0.002°
• β: 98.463 ± 0.002°
• γ: 109.273 ± 0.002°
• Cell volume: 2401.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.99 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: 0.0481
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No