Information card for entry 7705584

Structure parameters

• Formula: C50 H28 Dy F9 N4 O6 S3
• Calculated formula: C50 H28 Dy F9 N4 O6 S3
• SMILES: c1ccc(cc1)c1c(c2ccccc2)nc2c(c3ccc[n]4c3c3c2ccc[n]3[Dy]2354(OC(=CC(C(F)(F)F)=[O]2)c2cccs2)(OC(c2cccs2)=CC(C(F)(F)F)=[O]3)[O]=C(C=C(c2cccs2)O5)C(F)(F)F)n1
• Title of publication: Structurally modulated single-ion magnets of mononuclear β-diketone dysprosium(III) complexes.
• Authors of publication: Kong, Ming; Feng, Xin; Li, Jing; Hu, Zhao-Bo; Wang, Jia; Song, Xiao-Jiao; Jing, Zhao-Yang; Zhang, Yi-Quan; Song, You
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 42
• Pages of publication: 14931 - 14940
• a: 10.1831 ± 0.0012 Å
• b: 22.233 ± 0.003 Å
• c: 21.689 ± 0.003 Å
• α: 90°
• β: 101.119 ± 0.005°
• γ: 90°
• Cell volume: 4818.2 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0659
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No