Information card for entry 2227162

Structure parameters

• Chemical name: Bis[2-(1<i>H</i>-benzimidazol-2-yl)benzoato]copper(II) dihydrate
• Formula: C28 H22 Cu N4 O6
• Calculated formula: C28 H22 Cu N4 O6
• SMILES: c12ccccc1[nH]c1c3ccccc3C(=O)O[Cu]3([n]21)[n]1c2ccccc2[nH]c1c1ccccc1C(=O)O3.O.O
• Title of publication: Bis[2-(1<i>H</i>-benzimidazol-2-yl)benzoato]copper(II) dihydrate
• Authors of publication: Wang, Jun; Dai, Chuntao; Zhao, Dongmei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1306 - m1307
• a: 11.6235 ± 0.0002 Å
• b: 7.692 ± 0.0002 Å
• c: 16.141 ± 0.0003 Å
• α: 90°
• β: 115.735 ± 0.001°
• γ: 90°
• Cell volume: 1299.99 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes