Information card for entry 2020275

Structure parameters

• Chemical name: <i>catena</i>-Poly[zinc(II)-bis{μ-2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole}-κ^2^<i>N</i>^3^:<i>N</i>^3'^;<i>N</i>^3'^:<i>N</i>^3^-zinc(II)-bis(μ-benzene-1,2-dicarboxylato)-κ^2^<i>O</i>^1^:<i>O</i>^2^;κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^]
• Formula: C38 H28 N8 O8 Zn2
• Calculated formula: C38 H28 N8 O8 Zn2
• SMILES: [Zn]12([n]3c([nH]c4ccccc34)Cn3c[n](cc3)[Zn]3([n]4c([nH]c5ccccc45)Cn4c[n]2cc4)OC(=O)c2ccccc2C(=O)O[Zn]([n]2c([nH]c4ccccc24)Cn2cncc2)OC(=O)c2c(C(=O)O3)cccc2)OC(=O)c2ccccc2C(=O)O[Zn]([n]2c([nH]c3ccccc23)Cn2cncc2)OC(=O)c2c(C(=O)O1)cccc2
• Title of publication: A new one-dimensional Zn^II^ coordination polymer based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole and benzene-1,2-dicarboxylate
• Authors of publication: Huang, Qiu-Ying; Liu, Wei; Yang, Yi; Meng, Xiang-Ru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• a: 9.681 ± 0.0019 Å
• b: 10.257 ± 0.002 Å
• c: 18.424 ± 0.004 Å
• α: 99.16 ± 0.03°
• β: 101.87 ± 0.03°
• γ: 94.06 ± 0.03°
• Cell volume: 1757.3 ± 0.7 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: 0.0654
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes