Information card for entry 2204780

Structure parameters

• Chemical name: Chloro{2-[(5-nitrosalicylidene)aminoethyl]-1H-benzimidazole}copper(II)
• Formula: C16 H13 Cl Cu N4 O3
• Calculated formula: C16 H13 Cl Cu N4 O3
• SMILES: [Cu]12(Cl)Oc3c(C=[N]2CCc2[n]1c1ccccc1[nH]2)cc(N(=O)=O)cc3
• Title of publication: Chloro{2-[(5-nitrosalicylidene)aminoethyl]-1<i>H</i>-benzimidazole}copper(II)
• Authors of publication: Xiao-Hang, Qiu; Hong-Yan, Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1855 - m1856
• a: 8.047 ± 0.003 Å
• b: 14.384 ± 0.005 Å
• c: 14.386 ± 0.005 Å
• α: 90°
• β: 98.311 ± 0.005°
• γ: 90°
• Cell volume: 1647.7 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes