Information card for entry 2204696

Structure parameters

• Common name: Poly[[bis(1H-imidazole-κN^3^)cadmium(II)]-μ~3~-benzene-1,3-dioxyacetato]
• Chemical name: poly[[bis(1H-imidazole-κN^3^)cadmium(II)]-μ~3~-m-phenylenebis(oxyacetato)]
• Formula: C16 H16 Cd N4 O6
• Calculated formula: C16 H16 Cd N4 O6
• SMILES: [Cd]1([n]2c[nH]cc2)([n]2c[nH]cc2)([O]=C(O1)COc1cccc(OCC(=O)[O-])c1)OC(=O)COc1cccc(OCC2=[O][Cd]([n]3c[nH]cc3)([n]3c[nH]cc3)O2)c1
• Title of publication: Poly[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium(II)]-μ~3~-benzene-1,3-dioxyacetato]
• 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: 12
• Pages of publication: m1878 - m1880
• a: 9.4084 ± 0.0019 Å
• b: 10.062 ± 0.002 Å
• c: 11.13 ± 0.002 Å
• α: 108.46 ± 0.03°
• β: 111.04 ± 0.03°
• γ: 95.46 ± 0.03°
• Cell volume: 906.5 ± 0.5 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: 0.03
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes