Information card for entry 7038397

Structure parameters

• Formula: C52 H33 Dy F9 N2 O6
• Calculated formula: C52 H33 Dy F9 N2 O6
• SMILES: [Dy]1234(OC(=CC(=[O]1)c1cc5c(cc1)cccc5)C(F)(F)F)(OC(=CC(c1cc5ccccc5cc1)=[O]2)C(F)(F)F)([O]=C(c1ccc2c(c1)cccc2)C=C(O3)C(F)(F)F)[n]1c(cccc1)c1[n]4cccc1
• Title of publication: Dysprosium(iii) complexes with a square-antiprism configuration featuring mononuclear single-molecule magnetic behaviours based on different β-diketonate ligands and auxiliary ligands.
• Authors of publication: Zhang, Sheng; Ke, Hongshan; Shi, Quan; Zhang, Jangwei; Yang, Qi; Wei, Qing; Xie, Gang; Wang, Wenyuan; Yang, Desuo; Chen, Sanping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5310 - 5320
• a: 22.748 ± 0.006 Å
• b: 10.942 ± 0.003 Å
• c: 21.315 ± 0.005 Å
• α: 90°
• β: 108.438 ± 0.006°
• γ: 90°
• Cell volume: 5033 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1265
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No