Information card for entry 2019466

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaqua[5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^]lead(II)]-μ-5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylato-κ^3^<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^2^] dihydrate]
• Formula: C20 H20 N6 O12 Pb
• Calculated formula: C20 H20 N6 O12 Pb
• SMILES: [Pb]12([OH2])([OH2])([n]3c(c4cccnc4)[nH]c(c3C(=O)O1)C(=O)O)[n]1c([nH]c(c1C(O2)=O)C(=O)O)c1ccc[n](c1)[Pb]12([OH2])([OH2])([n]3c(c4cccnc4)[nH]c(c3C(=O)O1)C(=O)O)[n]1c([nH]c(c1C(O2)=O)C(=O)O)c1cccnc1.O.O.O.O
• Title of publication: A one-dimensional lead(II) coordination polymer with terminal and bridging 5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylate ligands
• Authors of publication: Guo, Lei; Li, Jia-Qun; Xie, Yu-Ting; Lu, Chu-Qin; Wu, Jian-Zhong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: 428 - 431
• a: 7.1384 ± 0.0019 Å
• b: 18.424 ± 0.005 Å
• c: 17.907 ± 0.005 Å
• α: 90°
• β: 90.984 ± 0.003°
• γ: 90°
• Cell volume: 2354.7 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes