Information card for entry 4314189

Structure parameters

• Formula: C22.5 H17 Cl Cu2 F6 N2 O6
• Calculated formula: C22.5 H17 Cl Cu2 F6 N2 O6
• SMILES: [Cu]123[N]4CCN3C(=O)c3c([O]1[Cu]15(OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)[O]2c2c(C=4)cccc2[O]1C)cccc3.ClCCl
• Title of publication: Synthesis and Magnetic Properties of Heterometal Cyclic Tetranuclear Complexes [CuIILMII(hfac)]2 (MII= Zn, Cu, Ni, Co, Fe, Mn; H3L = 1-(2-Hydroxybenzamido)-2-((2-hydroxy-3-methoxybenzylidene)amino)ethane; Hhfac = Hexafluoroacetylacetone)
• Authors of publication: Shutaro Osa; Yukinari Sunatsuki; Yoko Yamamoto; Masaaki Nakamura; Tomoshige Shimamoto; Naohide Matsumoto; Nazzareno Re
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5507 - 5512
• a: 17.488 ± 0.006 Å
• b: 10.551 ± 0.008 Å
• c: 15.329 ± 0.004 Å
• α: 90°
• β: 108.71 ± 0.02°
• γ: 90°
• Cell volume: 2679 ± 2 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.903
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No