Information card for entry 2021188

Structure parameters

• Chemical name: Poly[[aqua[μ~3~-4-carboxy-1-(4-carboxylatobenzyl)-2-propyl-1<i>H</i>-imidazole-5-carboxylato-κ^5^<i>O</i>^1^<i>O</i>^1'^:<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^5^][μ~4~-1-(4-carboxylatobenzyl)-2-propyl-1<i>H</i>-imidazole-4-carboxylato-κ^7^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^4'^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^]cadmium(II)] monohydrate]
• Formula: C31 H32 Cd2 N4 O12
• Calculated formula: C31 H32 Cd2 N4 O12
• Title of publication: A two-dimensional cadmium(II) coordination polymer constructed from 4-carboxy-1-(4-carboxylatobenzyl)-2-propyl-1<i>H</i>-imidazole-5-carboxylate and 1-(4-carboxylatobenzyl)-2-propyl-1<i>H</i>-imidazole-4-carboxylate ligands
• Authors of publication: Li, Fenfang; Zhu, Miaoli; Lu, Liping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 8
• a: 11.2716 ± 0.0005 Å
• b: 26.9672 ± 0.0011 Å
• c: 11.3809 ± 0.0005 Å
• α: 90°
• β: 109.986 ± 0.001°
• γ: 90°
• Cell volume: 3251 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0587
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes