Information card for entry 7043147

Structure parameters

• Formula: C74 H50 Ca Cl6 Er2 N8 O8
• Calculated formula: C74 H50 Ca Cl6 Er2 N8 O8
• Title of publication: Strictly linear trinuclear Dy-Ca/Mg-Dy single-molecule magnets: the impact of long-range f-f ferromagnetic interactions on suppressing quantum tunnelling of magnetization leading to slow magnetic relaxation
• Authors of publication: Zhang, Wan-Ying; Tian, Yong-Mei; Li, Hongfeng; Chen, Peng; Zhang, Yiquan; Yan, Pengfei; Sun, Wenbin
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 29.7835 ± 0.0016 Å
• b: 23.1277 ± 0.0018 Å
• c: 10.3592 ± 0.0006 Å
• α: 90°
• β: 92.992 ± 0.005°
• γ: 90°
• Cell volume: 7125.9 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.243
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No