Information card for entry 2019820

Structure parameters

• Chemical name: Poly[bis(μ~2~-5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato-κ^3^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^5^)copper(II)]
• Formula: C16 H18 Cu N4 O8
• Calculated formula: C16 H18 Cu N4 O8
• Title of publication: A two-dimensional copper(II) coordination polymer based on 2-propyl-1H-imidazole-4,5-dicarboxylic acid
• Authors of publication: Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Lian, Ping; Luo, Xu-Zhong
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 152
• a: 8.344 ± 0.002 Å
• b: 9.859 ± 0.002 Å
• c: 11.273 ± 0.003 Å
• α: 90°
• β: 91.493 ± 0.004°
• γ: 90°
• Cell volume: 927 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0302
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes