Information card for entry 7043148

Structure parameters

• Formula: C74 H50 Cl6 Er2 Mg N8 O8
• Calculated formula: C74 H50 Cl6 Er2 Mg N8 O8
• SMILES: c12cccc3ccc[n](c13)[Er]13456(O2)[O](c2cccc7ccc[n]4c27)[Mg]24([O]7c8cccc9ccc[n](c89)[Er]89%107([n]7cccc%11cccc(c7%11)O8)([n]7cccc8cccc([O]29)c78)[n]2cccc7cccc([O]4%10)c27)([O]5c2cccc4ccc[n]1c24)[O]6c1cccc2ccc[n]3c12.ClC(Cl)Cl.C(Cl)(Cl)Cl
• 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: 10.234 ± 0.0006 Å
• b: 11.6835 ± 0.0004 Å
• c: 15.1607 ± 0.0008 Å
• α: 91.236 ± 0.004°
• β: 102.557 ± 0.005°
• γ: 105.202 ± 0.004°
• Cell volume: 1701.52 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.271
• Weighted residual factors for all reflections included in the refinement: 0.2752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No