Information card for entry 2206646

Structure parameters

• Chemical name: catena-poly[[bis(1H-imidazole-κN^3^)zinc(II)]-μ-5-nitrobenzene- 1,3-dicarboxylato-κ^2^O^1^:O^3^]
• Formula: C14 H11 N5 O6 Zn
• Calculated formula: C14 H11 N5 O6 Zn
• SMILES: [Zn]([n]1c[nH]cc1)([n]1cc[nH]c1)(OC(=O)c1cc(cc(c1)N(=O)=O)C(=O)[O-])OC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O[Zn]([n]1c[nH]cc1)[n]1cc[nH]c1
• Title of publication: A one-dimensional herring-bone coordination polymer, <i>catena</i>-poly[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)]-μ-5-nitrobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]
• Authors of publication: Zhang, Hong-Tao; Li, Yi-Zhi; Xu, Li; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1727 - m1729
• a: 9.5225 ± 0.0016 Å
• b: 8.6825 ± 0.0015 Å
• c: 19.21 ± 0.003 Å
• α: 90°
• β: 99.91 ± 0.03°
• γ: 90°
• Cell volume: 1564.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes