Information card for entry 2229095

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis[2-(2-pyridyl)-1-<i>H</i>-imidazole- κ^2^<i>N</i>^2^,<i>N</i>^3^]cadmium]-μ-benzene-1,3-dicarboxylato- κ^2^<i>O</i>^1^:<i>O</i>^3^]
• Formula: C24 H18 Cd N6 O4
• Calculated formula: C24 H18 Cd N6 O4
• SMILES: [Cd]12([n]3cc[nH]c3c3[n]1cccc3)([n]1cc[nH]c1c1[n]2cccc1)(OC(=O)c1cc(ccc1)C(=O)O[Cd]12([n]3cc[nH]c3c3[n]1cccc3)[n]1cc[nH]c1c1[n]2cccc1)OC(=O)c1cc(C(=O)[O-])ccc1
• Title of publication: <i>catena</i>-Poly[[bis[2-(2-pyridyl)-1-<i>H</i>-imidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]cadmium]-μ-benzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]
• Authors of publication: Li, Chun-Jiang; Lu, Jing-Mei; Tu, Fan; Chen, Jing-Ying; Li, Yu-Jia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m269 - m270
• a: 8.72 ± 0.005 Å
• b: 20.102 ± 0.004 Å
• c: 13.483 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2363.4 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes