Information card for entry 2204124

Structure parameters

• Chemical name: catena-poly[[tris(1H-imidazole-κN^3^)cadmium(II)]-μ-benzene-1,4-dioxyacetato- κ^3^O,O':O'']
• Formula: C19 H20 Cd N6 O6
• Calculated formula: C19 H20 Cd N6 O6
• SMILES: [Cd]1([n]2c[nH]cc2)([n]2c[nH]cc2)([n]2c[nH]cc2)(OC(=[O]1)COc1ccc(cc1)OCC(=O)[O-])OC(=O)COc1ccc(cc1)OCC1=[O][Cd](O1)([n]1c[nH]cc1)([n]1c[nH]cc1)[n]1c[nH]cc1
• Title of publication: A one-dimensional chain Cd^II^ polymer: <i>catena</i>-poly[[tris(1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium(II)]-μ-benzene-1,4-dioxyacetato-κ^3^<i>O,O</i>':<i>O</i>'']
• Authors of publication: Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1308 - m1310
• a: 7.7036 ± 0.0015 Å
• b: 9.962 ± 0.002 Å
• c: 14.548 ± 0.003 Å
• α: 82.6 ± 0.03°
• β: 78.23 ± 0.03°
• γ: 82.77 ± 0.03°
• Cell volume: 1078.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes