Information card for entry 2227191

Structure parameters

• Chemical name: Acetatochlorido[2,2'-(ethane-1,2-diyl)di-1<i>H</i>-benzimidazole]copper(II) monohydrate
• Formula: C18 H19 Cl Cu N4 O3
• Calculated formula: C18 H19 Cl Cu N4 O3
• SMILES: [Cu]12([n]4c5ccccc5[nH]c4CCc4[n]1c1ccccc1[nH]4)([O]=C(O2)C)Cl.O
• Title of publication: Acetatochlorido[2,2'-(ethane-1,2-diyl)di-1<i>H</i>-benzimidazole]copper(II) monohydrate
• Authors of publication: Li, Yu-xian; Yang, Huai-xia; Ding, Ya-nan; Meng, Xiang-ru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1155
• a: 14.796 ± 0.003 Å
• b: 8.5844 ± 0.0017 Å
• c: 15.162 ± 0.003 Å
• α: 90°
• β: 108.04 ± 0.03°
• γ: 90°
• Cell volume: 1831.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0477
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes