Information card for entry 7119842

Structure parameters

• Formula: C32 H21 Dy F18 N2 O6
• Calculated formula: C32 H21 Dy F18 N2 O6
• SMILES: c12cccc[n]2[Dy]234([n]5c1cc1c(c5)[C@H]5C([C@@H](C1)C5)(C)C)(OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]3)C(F)(F)F)[O]=C(C(F)(F)F)C=C(C(F)(F)F)O4
• Title of publication: Enhanced single-ion magnetic and ferroelectric properties of mononuclear Dy(iii) enantiomeric pairs through the coordination role of chiral ligands.
• Authors of publication: Li, Xi-Li; Hu, Ming; Yin, Zhigang; Zhu, Cancan; Liu, Cai-Ming; Xiao, Hong-Ping; Fang, Shaoming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 28
• Pages of publication: 3998
• a: 12.3044 ± 0.0004 Å
• b: 13.4038 ± 0.0003 Å
• c: 13.5784 ± 0.0003 Å
• α: 79.486 ± 0.002°
• β: 65.17 ± 0.003°
• γ: 88.284 ± 0.002°
• Cell volume: 1995.55 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No