Information card for entry 2208282

Structure parameters

• Chemical name: μ-1,1'-Methylenedi-1H-imidazole-κ^2^N^3^:N^3'^-bis[aqua(pyridine-2,6- dicarboxylato)copper(II)] tetrahydrate
• Formula: C21 H26 Cu2 N6 O14
• Calculated formula: C21 H26 Cu2 N6 O14
• SMILES: c12C(=O)O[Cu]3([n]4ccn(Cn5cc[n](c5)[Cu]56([n]7c(C(=O)O6)cccc7C(=O)O5)[OH2])c4)([n]2c(ccc1)C(=O)O3)[OH2].O.O.O.O
• Title of publication: μ-1,1'-Methylenedi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^-bis[aqua(pyridine-2,6-dicarboxylato)copper(II)] tetrahydrate
• Authors of publication: Dong, Gui-Ying; Cui, Guang-Hua; Wang, Sheng-chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m606 - m607
• a: 35.376 ± 0.007 Å
• b: 5.1136 ± 0.001 Å
• c: 14.868 ± 0.003 Å
• α: 90°
• β: 99.15 ± 0.03°
• γ: 90°
• Cell volume: 2655.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes