Information card for entry 7106517

Structure parameters

• Formula: C56 H40 Dy F9 N2 O6
• Calculated formula: C56 H40 Dy F9 N2 O6
• SMILES: c1(ccccc1)[C@@H]1[C@@H](c2ccccc2)[NH2][Dy]234([NH2]1)([O]=C(C(F)(F)F)C=C(c1ccc5ccccc5c1)O2)([O]=C(C(F)(F)F)C=C(c1ccc2ccccc2c1)O3)OC(=CC(c1ccc2ccccc2c1)=[O]4)C(F)(F)F.c1(ccccc1)[C@H]1[C@H](c2ccccc2)[NH2][Dy]234([NH2]1)([O]=C(C(F)(F)F)C=C(c1ccc5ccccc5c1)O2)([O]=C(C(F)(F)F)C=C(c1ccc2ccccc2c1)O3)OC(=CC(c1ccc2ccccc2c1)=[O]4)C(F)(F)F
• Title of publication: Distinct magnetic dynamic behavior for two polymorphs of the same Dy(III) complex
• Authors of publication: Dong-Ping Li; Xiao-Peng Zhang; Tian-Wei Wang; Bin-Bin Ma; Cheng-Hui Li; Yi-Zhi Li; Xiao-Zeng You
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6867
• a: 9.7289 ± 0.0016 Å
• b: 13.557 ± 0.002 Å
• c: 20.495 ± 0.003 Å
• α: 73.683 ± 0.002°
• β: 77.666 ± 0.002°
• γ: 87.015 ± 0.003°
• Cell volume: 2534.3 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No