Information card for entry 7123640

Structure parameters

• Formula: C56 H104 Cl2 N4 O2 Y2
• Calculated formula: C56 H104 Cl2 N4 O2 Y2
• Title of publication: Dichlorido-bridged dinuclear Dy(III) single-molecule magnet with an effective energy barrier larger than 600 K
• Authors of publication: Han, Tian; Ding, Yousong; Li, Zi-Han; Yu, Ke-Xin; Zhai, Yuan-Qi; Chilton, Nicholas F.; Zheng, Yan-Zhen
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.0839 ± 0.0017 Å
• b: 11.5625 ± 0.0018 Å
• c: 13.8 ± 0.002 Å
• α: 108.736 ± 0.002°
• β: 105.79 ± 0.002°
• γ: 102.087 ± 0.002°
• Cell volume: 1523.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.054
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No