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Information card for entry 2020253
Preview
| Coordinates | 2020253.cif |
|---|---|
| Structure factors | 2020253.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-bis[μ~2~-4-(dimethylamino)pyridin-1-ium-1-acetate]-κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>] |
|---|---|
| Formula | C9 H12 Cd Cl2 N2 O2 |
| Calculated formula | C9 H12 Cd Cl2 N2 O2 |
| SMILES | [Cd]123(Cl)([Cl][Cd]45(Cl)([Cl]1)[O]([Cd]1([O]4C(C[n+]4ccc(N(C)C)cc4)=[O]1)(Cl)Cl)C(C[n+]1ccc(N(C)C)cc1)=[O]5)[O]=C(C[n+]1ccc(N(C)C)cc1)[O]2[Cd]1(Cl)(Cl)[O]=C(C[n+]2ccc(N(C)C)cc2)[O]31 |
| Title of publication | Two different one-dimensional Cd^II^ halide coordination polymers constructed through bridging carboxylate ligands |
| Authors of publication | Hou, Xue-Li; Wang, Hui-Ting |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| a | 10.273 ± 0.002 Å |
| b | 15.081 ± 0.003 Å |
| c | 7.7654 ± 0.0016 Å |
| α | 90° |
| β | 93.06 ± 0.03° |
| γ | 90° |
| Cell volume | 1201.4 ± 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 | 0.0328 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0584 |
| Weighted residual factors for all reflections included in the refinement | 0.0603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| 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 |
2020253.cif 2020253.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. |
2020253.cif 2020253.hkl |
| 169159 | 2015-10-15 | cif/ hkl/ Adding structures of 2020253, 2020254 via cif-deposit CGI script. |
2020253.cif 2020253.hkl |
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Users of the data should acknowledge the original authors of the
structural data.