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Information card for entry 2020275
Preview
| Coordinates | 2020275.cif |
|---|---|
| Structure factors | 2020275.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181872 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/02 |
2020275.cif 2020275.hkl |
| 169771 | 2015-10-28 | cif/ hkl/ Adding structures of 2020275 via cif-deposit CGI script. |
2020275.cif 2020275.hkl |
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Users of the data should acknowledge the original authors of the
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