Information card for entry 2020081

Structure parameters

• Chemical name: Poly[[[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-iodobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] trihydrate]
• Formula: C18 H23 I N4 O7 Zn
• Calculated formula: C18 H23 I N4 O7 Zn
• Title of publication: Synthesis, structure and characterization of two new metal‒organic coordination polymers based on the ligand 5-iodobenzene-1,3-dicarboxylate
• Authors of publication: Zhang, Xu; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• a: 7.991 ± 0.0009 Å
• b: 17.8363 ± 0.0019 Å
• c: 18.2004 ± 0.0017 Å
• α: 90°
• β: 110.08 ± 0.004°
• γ: 90°
• Cell volume: 2436.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1309
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.2161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes