Information card for entry 2222625

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[2-(2-pyridyl)-1<i>H</i>-benzimidazole]cadmium(II)]-μ- benzene-1,4-dicarboxylato]
• Formula: C20 H13 Cd N3 O4
• Calculated formula: C20 H13 Cd N3 O4
• SMILES: [Cd]123([n]4c(c5cccc[n]15)[nH]c1c4cccc1)([O]=C(c1ccc(cc1)C(=O)[O-])O2)[O]=C(c1ccc(C2=[O][Cd]4([n]5c(c6cccc[n]46)[nH]c4c5cccc4)O2)cc1)O3
• Title of publication: <i>catena</i>-Poly[[[2-(2-pyridyl)-1<i>H</i>-benzimidazole]cadmium(II)]-μ-benzene-1,4-dicarboxylato]
• Authors of publication: Liu, Hai-Yan; Zhao, Da-Wei; Sun, Hong-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m919
• a: 7.378 ± 0.005 Å
• b: 20.86 ± 0.005 Å
• c: 11.546 ± 0.005 Å
• α: 90 ± 0.005°
• β: 93.362 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1773.9 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0952
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.76
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes