Information card for entry 7228761

Structure parameters

• Formula: C68 H50 F36 Gd2 N6 O18
• Calculated formula: C68 H50 F36 Gd2 N6 O18
• SMILES: C(C1=CC(C(F)(F)F)=[O][Gd]234(O1)(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]1cccc(c1)COc1ccc(cc1)C1N(O[Gd]235([n]6cccc(c6)COc6ccc(cc6)C6N(C(C(N=6=O)(C)C)(C)C)O4)([O]=C(C=C(C(F)(F)F)O2)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)C(C(N=1=O)(C)C)(C)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: 13.433 ± 0.003 Å
• b: 17.289 ± 0.004 Å
• c: 18.334 ± 0.004 Å
• α: 90°
• β: 93.07 ± 0.03°
• γ: 90°
• Cell volume: 4251.8 ± 1.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0508
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No