Information card for entry 2213983

Structure parameters

• Chemical name: ({[2-(1H-Benzimidazol-2-yl)ethyl]iminomethyl}phenolato)chloridocopper(II)
• Formula: C16 H14 Cl Cu N3 O
• Calculated formula: C16 H14 Cl Cu N3 O
• SMILES: [Cu]12(Cl)Oc3ccccc3C=[N]1CCc1[nH]c3ccccc3[n]21
• Title of publication: ({[2-(1<i>H</i>-Benzimidazol-2-yl)ethyl]iminomethyl}phenolato)chloridocopper(II)
• Authors of publication: Xu-Yan Ma; Xin-Dian Dong; Yan-Ping Li; Zhi-Gang Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1729 - m1729
• a: 8.009 ± 0.003 Å
• b: 9.303 ± 0.003 Å
• c: 10.192 ± 0.003 Å
• α: 87.815 ± 0.004°
• β: 87.548 ± 0.004°
• γ: 82.267 ± 0.004°
• Cell volume: 751.4 ± 0.4 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes