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Information card for entry 2020081
Preview
| Coordinates | 2020081.cif |
|---|---|
| Structure factors | 2020081.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181870 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020081.cif 2020081.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2020081.cif 2020081.hkl |
| 153311 | 2015-08-09 | cif/ hkl/ Adding structures of 2020080, 2020081 via cif-deposit CGI script. |
2020081.cif 2020081.hkl |
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Users of the data should acknowledge the original authors of the
structural data.