Information card for entry 1542450

Structure parameters

• Formula: C33 H34 Dy F3 N12 O11 S
• Calculated formula: C33 H30 Dy F3 N12 O11 S
• Title of publication: Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets
• Authors of publication: Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 3632
• a: 20.791 ± 0.002 Å
• b: 18.7611 ± 0.0018 Å
• c: 13.6144 ± 0.0014 Å
• α: 90°
• β: 129.032 ± 0.002°
• γ: 90°
• Cell volume: 4125.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No