Information card for entry 7129520

Structure parameters

• Chemical name: Dy4
• Formula: C68 H76 Dy4 N12 O18 S4
• Calculated formula: C68 H74 Dy4 N12 O17.996 S4
• Title of publication: Toroidal versus centripetal arrangement of magnetic moment in a Dy4 tetrahedron
• Authors of publication: Yang, Qianqian; Ungur, Liviu; Chibotaru, Liviu; Tang, Jinkui
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 18.9036 ± 0.0009 Å
• b: 22.8201 ± 0.0011 Å
• c: 18.1253 ± 0.0009 Å
• α: 90°
• β: 90.263 ± 0.001°
• γ: 90°
• Cell volume: 7818.8 ± 0.7 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• 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: 0.055
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No