Information card for entry 4348912

Structure parameters

• Formula: C55 H41 Dy N2 O6
• Calculated formula: C55 H41 Dy N2 O6
• SMILES: c1ccccc1C1=CC(c2ccccc2)=[O][Dy]234([n]5ccccc5c5cccc[n]25)(O1)(OC(=CC(c1ccccc1)=[O]3)c1ccccc1)[O]=C(c1ccccc1)C=C(c1ccccc1)O4
• Title of publication: Azacyclo-auxiliary ligand-tuned SMMs of dibenzoylmethane Dy(iii) complexes
• Authors of publication: Dong, Yanping; Yan, Pengfei; Zou, Xiaoyan; Li, Guangming
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 827
• a: 13.365 ± 0.0005 Å
• b: 22.5332 ± 0.0007 Å
• c: 16.1797 ± 0.0006 Å
• α: 90°
• β: 109.799 ± 0.005°
• γ: 90°
• Cell volume: 4584.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0377
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No