Information card for entry 4305938

Structure parameters

• Formula: C40 H30 Cl4 Cu2 N6 O4
• Calculated formula: C40 H30 Cl4 Cu2 N6 O4
• SMILES: c12O[Cu]34[N](=Cc2cccc1)c1cccc([N]2=Cc5c(O[Cu]62[N](=Cc2c(cccc2)O6)c2nc([N]3=Cc3c(O4)cccc3)ccc2)cccc5)n1.ClCCl.C(Cl)Cl
• Title of publication: Metal-Dependent Assembly of a Helical-[Co3L3] Cluster versus a Meso-[Cu2L2] Cluster with O,N,N',O'-Schiff Base Ligand: Structures and Magnetic Properties
• Authors of publication: Yuanyuan Pang; Shuxin Cui; Bo Li; Jingping Zhang; Yu Wang; Hong Zhang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10317 - 10324
• a: 15.9894 ± 0.0013 Å
• b: 14.3341 ± 0.0012 Å
• c: 18.1981 ± 0.0015 Å
• α: 90°
• β: 113.331 ± 0.001°
• γ: 90°
• Cell volume: 3829.8 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No