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Information card for entry 2022313
Preview
| Coordinates | 2022313.cif |
|---|---|
| Structure factors | 2022313.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[aqua(μ~6~-benzene-1,2,4,5-tetracarboxylic acid-κ^8^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^5^:<i>O</i>^5'^)(μ-but-2-enedioato-κ^2^<i>O</i>^1^:<i>O</i>^4^)potassium(I)] |
|---|---|
| Formula | C14 H12 K2 O14 |
| Calculated formula | C14 H12 K2 O14 |
| SMILES | C(=O)(c1c(C(=O)O)cc(C(=O)O)c(c1)C(=O)O)O.C(=O)(/C=C/C(=O)[O-])[O-].[K+].O.[K+].O |
| Title of publication | Alkali and alkaline earth coordination polymers constructed from benzene-1,2,4,5-tetracarboxylic acid and flexible dicarboxylate acid ligands: syntheses, structures and spectroscopic and thermal properties |
| Authors of publication | Lifa, Said; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Merazig, Hocine |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 2 |
| Pages of publication | 90 - 99 |
| a | 8.3359 ± 0.0002 Å |
| b | 17.0987 ± 0.0005 Å |
| c | 6.5405 ± 0.0002 Å |
| α | 90° |
| β | 110.687 ± 0.002° |
| γ | 90° |
| Cell volume | 872.13 ± 0.04 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0527 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262769 (current) | 2021-03-05 | cif/ Updating files of 2022313, 2022314 Original log message: Adding full bibliography for 2022313--2022314.cif. |
2022313.cif 2022313.hkl |
| 260987 | 2021-01-15 | cif/ hkl/ Adding structures of 2022313, 2022314 via cif-deposit CGI script. |
2022313.cif 2022313.hkl |
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