Information card for entry 7130199

Structure parameters

• Formula: C72 H72 B Dy F2 N6 O3
• Calculated formula: C72 H72 B Dy F2 N6 O3
• SMILES: [Dy]12345(F)(F)([N]6=Cc7[n]1c(C=[N]3[C@@H]([C@H]([N]2=Cc1[n]5c(ccc1)C=[N]4[C@@H]([C@H]6c1ccccc1C)c1c(cccc1)C)c1ccccc1C)c1ccccc1C)ccc7)[OH2].c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.OC.OC
• Title of publication: Terminal fluoride coordinated air-stable chiral dysprosium single-ion magnets
• Authors of publication: Wu, Jinjiang; Wang, Guo-Lu; Zhu, Zhenhua; Zhao, Chen; Li, Xiao-Lei; Zhang, Yi-Quan; Tang, Jinkui
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 16.7039 ± 0.0004 Å
• b: 23.7837 ± 0.0007 Å
• c: 20.8546 ± 0.0006 Å
• α: 90°
• β: 96.142 ± 0.001°
• γ: 90°
• Cell volume: 8237.6 ± 0.4 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No