Information card for entry 2216359

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis(1H-benzimidazole-κN^3^)copper(II)]-μ- 3-(4-carboxylatophenoxy)propionato-κ^2^<i>O</i>:<i>O</i>'] <i>N</i>,<i>N</i>-dimethylformamide solvate pentahydrate]
• Formula: C27 H37 Cu N5 O11
• Calculated formula: C27 H37 Cu N5 O11
• SMILES: [Cu](OC(=O)CCOc1ccc(cc1)C(=O)[O-])([n]1c[nH]c2c1cccc2)([n]1c[nH]c2c1cccc2)OC(=O)c1ccc(OCCC(=O)O[Cu]([n]2c[nH]c3c2cccc3)[n]2c[nH]c3c2cccc3)cc1.O=CN(C)C.O.O.O.O.O.O=CN(C)C.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)copper(II)]-μ-3-(4-carboxylatophenoxy)propionato-κ^2^<i>O</i>:<i>O</i>'] <i>N</i>,<i>N</i>-dimethylformamide solvate pentahydrate]
• Authors of publication: Li-Li Kong; Shan Gao; Li-Hua Huo; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3153 - m3153
• a: 12.179 ± 0.002 Å
• b: 15.898 ± 0.002 Å
• c: 16.42 ± 0.002 Å
• α: 90°
• β: 102.834 ± 0.004°
• γ: 90°
• Cell volume: 3099.8 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes