Information card for entry 4302678

Structure parameters

• Formula: C66 H58 Cl6 Cu3 N24 O29
• Calculated formula: C66 H48 Cl6 Cu3 N24 O29
• SMILES: c12N3c4nc5N6c7cccc[n]7[Cu]7([n]8c(cccc8)N(c8nc(nc(n8)N8c9[n]([Cu]([n]1cccc2)([OH2])([n]1c3cccc1)[n]1c8cccc1)cccc9)N1c2cccc[n]2[Cu]2([n]3c(N(c(n5)n4)c4cccc[n]24)cccc3)([n]2c1cccc2)[OH2])c1[n]7cccc1)([n]1c6cccc1)[OH2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O
• Title of publication: Low-Dimensional Copper(II) Complexes with the Trinucleating Ligand 2,4,6-Tris(di-2-pyridylamine)-1,3,5-triazine: Synthesis, Crystal Structures, and Magnetic Properties
• Authors of publication: Consuelo Yuste; Laura Cañadillas-Delgado; Ana Labrador; Fernando S. Delgado; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6630 - 6640
• a: 15.793 ± 0.003 Å
• b: 19.766 ± 0.003 Å
• c: 27.921 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8716 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: C 2 c b
• Hall space group symbol: C -2ac 2
• Residual factor for all reflections: 0.1494
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No