Information card for entry 7043948

Structure parameters

• Formula: C40 H42 Cu2 Gd N9 O13
• Calculated formula: C40 H42 Cu2 Gd N9 O13
• SMILES: c12ccccc1C(C)=[N]1[Cu]34([N]#CC)[O]2[Gd]2567([O]3c3c(C=[N]4CCC1)cccc3)(ON(=O)=[O]7)([O]=N(=O)O2)([O]1c2ccccc2C(C)=[N]2CCC[N]3=Cc4ccccc4[O]6[Cu]123[N]#CC)[O]=N(=O)O5
• Title of publication: Structural Variations in (CuL)2Ln Complexes of a Series of Lanthanide Ions with Salen-Type Unsymmetrical Schiff Base(H2L): The Dy and Tb Derivatives as Potential Single-Molecule Magnets
• Authors of publication: Mahapatra, Prithwish; Ghosh, Soumavo; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Drew, Michael G.B; Ghosh, Ashutosh
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 17.341 ± 0.003 Å
• b: 17.341 ± 0.003 Å
• c: 30.703 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9233 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2331
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No