Information card for entry 4348913

Structure parameters

• Formula: C57 H41 Dy N2 O6
• Calculated formula: C57 H41 Dy N2 O6
• SMILES: [Dy]1234([n]5cccc6ccc7ccc[n]1c7c56)(OC(=CC(c1ccccc1)=[O]2)c1ccccc1)(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: 30.1199 ± 0.0009 Å
• b: 19.6717 ± 0.0007 Å
• c: 19.7248 ± 0.0005 Å
• α: 90°
• β: 97.169 ± 0.003°
• γ: 90°
• Cell volume: 11595.8 ± 0.6 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: 0.0987
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No