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Information card for entry 2020080
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| Coordinates | 2020080.cif |
|---|---|
| Structure factors | 2020080.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~3~-5-iodobenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)cobalt(II) |
|---|---|
| Formula | C18 H17 Co I N4 O4 |
| Calculated formula | C18 H17 Co I N4 O4 |
| 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 | 10.2561 ± 0.0018 Å |
| b | 17.088 ± 0.003 Å |
| c | 22.205 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3891.6 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0756 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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 |
2020080.cif 2020080.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. |
2020080.cif 2020080.hkl |
| 153311 | 2015-08-09 | cif/ hkl/ Adding structures of 2020080, 2020081 via cif-deposit CGI script. |
2020080.cif 2020080.hkl |
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Users of the data should acknowledge the original authors of the
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