Information card for entry 4340853

Structure parameters

• Formula: C43 H26 Dy F9 N2 O6
• Calculated formula: C43 H26 Dy F9 N2 O6
• SMILES: C(C1C2=C(c3ccccc3C2)O[Dy]234([n]5ccccc5c5cccc[n]25)([O]=1)([O]=C(C(F)(F)F)C1=C(c2ccccc2C1)O3)[O]=C(C(F)(F)F)C1=C(c2ccccc2C1)O4)(F)(F)F
• Title of publication: Local Coordination Geometry Perturbed β-Diketone Dysprosium Single-Ion Magnets.
• Authors of publication: Zhu, Jing; Wang, Changzheng; Luan, Fang; Liu, Tianqi; Yan, Pengfei; Li, Guangming
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 8895 - 8901
• a: 11.0539 ± 0.0004 Å
• b: 9.1328 ± 0.0003 Å
• c: 19.8252 ± 0.0008 Å
• α: 90°
• β: 95.412 ± 0.003°
• γ: 90°
• Cell volume: 1992.49 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No