Information card for entry 4312998

Structure parameters

• Formula: C27 H17 Cu F12 Gd N2 O8
• Calculated formula: C27 H17 Cu F12 Gd N2 O8
• SMILES: [Gd]12345(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)[O]2[Cu]46[N](=Cc7cccc([O]3C)c27)CCN6C(c2c([O]14)cccc2)=[O][Gd]1234(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)[O]2[Cu]46[N](=Cc7cccc([O]3C)c27)CCN6C(c2c([O]14)cccc2)=[O]5
• Title of publication: Nature of Copper(II)-Lanthanide(III) Magnetic Interactions and Generation of a Large Magnetic Moment with Magnetic Anisotropy of 3d-4f Cyclic Cylindrical Tetranuclear Complexes [CuIILLnIII(hfac)2]2, (H3L= 1-(2-Hydroxybenzamido)-2-(2-hydroxy-3-methoxybenzylideneamino)ethane and Hhfac = Hexafluoroacetylacetone, LnIII= Eu, Gd, Tb, Dy)
• Authors of publication: Takafumi Kido; Yuichi Ikuta; Yukinari Sunatsuki; Yoshihiro Ogawa; Naohide Matsumoto; Nazzareno Re
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 398 - 408
• a: 11.055 ± 0.005 Å
• b: 16.172 ± 0.004 Å
• c: 10.284 ± 0.003 Å
• α: 105.96 ± 0.02°
• β: 114.61 ± 0.02°
• γ: 80.47 ± 0.03°
• Cell volume: 1604.4 ± 1 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 4.802
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No