Information card for entry 2230901

Structure parameters

• Chemical name: <i>catena</i>-Poly[[chloridocadmium(II)]bis{μ-1-[(2-ethyl-1<i>H</i>- imidazol-1-yl)methyl]-1<i>H</i>-benzotriazole}[chloridocadmium(II)]di- μ-chlorido]
• Formula: C12 H13 Cd Cl2 N5
• Calculated formula: C12 H13 Cd Cl2 N5
• SMILES: [Cd]12(Cl)([Cl][Cd]3(Cl)([Cl]2)[n]2nn(c4c2cccc4)Cn2cc[n](c2CC)[Cd](Cl)(Cl)[n]2nn(c4c2cccc4)Cn2cc[n]3c2CC)[n]2nn(c3c2cccc3)Cn2cc[n](c2CC)[Cd](Cl)(Cl)[n]2nn(c3c2cccc3)Cn2cc[n]1c2CC
• Title of publication: <i>catena</i>-Poly[[chloridocadmium(II)]bis{μ-1-[(2-ethyl-1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzotriazole}[chloridocadmium(II)]di-μ-chlorido]
• Authors of publication: Wang, Xia; Shi, Xian-Ju; Yang, Huai-Xia; Feng, Hu; Liu, Pan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m846
• a: 7.6055 ± 0.0006 Å
• b: 9.7027 ± 0.0011 Å
• c: 10.3144 ± 0.001 Å
• α: 74.431 ± 0.009°
• β: 81.609 ± 0.007°
• γ: 87.72 ± 0.008°
• Cell volume: 725.36 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes