Information card for entry 2019561

Structure parameters

• Chemical name: Poly[μ~3~-benzotriazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^-copper(I)]
• Formula: C6 H4 Cu N3
• Calculated formula: C6 H4 Cu N3
• Title of publication: A copper(I) coordination polymer incorporation the corrosion inhibitor 1<i>H</i>-benzotriazole: poly[μ~3~-benzotriazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^-copper(I)]
• Authors of publication: Liu, Jian-Jun; Li, Zuo-Yin; Yuan, Xiong; Wang, Yao; Huang, Chang-Cang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: 599 - 602
• a: 19.116 ± 0.004 Å
• b: 11.968 ± 0.002 Å
• c: 11.139 ± 0.002 Å
• α: 90°
• β: 107.7 ± 0.03°
• γ: 90°
• Cell volume: 2427.7 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes