Information card for entry 4348915

Structure parameters

• Formula: C63 H43 Dy N4 O6
• Calculated formula: C63 H43 Dy N4 O6
• SMILES: [Dy]1234(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)([O]=C(C=C(O3)c1ccccc1)c1ccccc1)[n]1c2c3[n]4cccc3c3c(c2ccc1)nc1c(n3)cccc1
• 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: 12.188 ± 0.005 Å
• b: 22.423 ± 0.005 Å
• c: 41.216 ± 0.005 Å
• α: 90°
• β: 100.394 ± 0.009°
• γ: 90°
• Cell volume: 11079 ± 5 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: 0.1121
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No