Information card for entry 7228759

Structure parameters

• Formula: C68 H50 Er2 F36 N6 O18
• Calculated formula: C68 H50 Er2 F36 N6 O18
• SMILES: C1(=CC(C(F)(F)F)=[O][Er]234(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)([n]2cccc(c2)COc2ccc(cc2)C2N(O[Er]356([n]7cccc(c7)COc7ccc(cc7)C7N(O4)C(C(N=7=O)(C)C)(C)C)(OC(=CC(C(F)(F)F)=[O]3)C(F)(F)F)([O]=C(C=C(C(F)(F)F)O5)C(F)(F)F)OC(=CC(=[O]6)C(F)(F)F)C(F)(F)F)C(C(=N2=O)(C)C)(C)C)O1)C(F)(F)F
• Title of publication: Syntheses, crystal structures, and magnetic properties of cyclic dimer Ln2L2 complexes constructed from (3-pyridinylmethoxy)phenyl-substituted nitronyl nitroxide ligands
• Authors of publication: Zhu, Mei; Li, Yang; Jia, Lingjie; Zhang, Li; Zhang, Wei
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 59
• Pages of publication: 36895
• a: 13.387 ± 0.003 Å
• b: 17.241 ± 0.003 Å
• c: 22.063 ± 0.007 Å
• α: 90°
• β: 124 ± 0.02°
• γ: 90°
• Cell volume: 4222 ± 2 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• 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: 0.067
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0704
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No