Information card for entry 4134032

Structure parameters

• Formula: C50 H91 Dy3 N12 O59 P14
• Calculated formula: C50 H71 Dy3 N12 O59 P14
• Title of publication: Manipulating On/Off Single-Molecule Magnet Behavior in a Dy(III)-Based Photochromic Complex.
• Authors of publication: Ma, Yu-Juan; Hu, Ji-Xiang; Han, Song-De; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 15.0482 ± 0.0006 Å
• b: 17.691 ± 0.0007 Å
• c: 20.2396 ± 0.0008 Å
• α: 72.719 ± 0.002°
• β: 68.916 ± 0.002°
• γ: 65.729 ± 0.002°
• Cell volume: 4512 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.1277
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No