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Information card for entry 2020818
Preview
| Coordinates | 2020818.cif |
|---|---|
| Structure factors | 2020818.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Poly[aqua(μ~12~-benzene-1,2,4,5-tetracarboxylato)distrontium(II)] |
|---|---|
| Formula | C10 H4 O9 Sr2 |
| Calculated formula | C10 H4 O9 Sr2 |
| SMILES | [Sr+2].[Sr+2].[O-]C(=O)c1c(C(=O)[O-])cc(C(=O)[O-])c(c1)C(=O)[O-].O |
| Title of publication | A novel three-dimensional Sr^II^ coordination polymer based on benzene-1,2,4,5-tetracarboxylate: hydrothermal synthesis, crystal structure and spectroscopic and thermal studies |
| Authors of publication | Trifa, Chahrazed; Mokhtari, Samia; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 5 |
| Pages of publication | 369 - 375 |
| a | 8.1694 ± 0.0003 Å |
| b | 17.2478 ± 0.0005 Å |
| c | 7.7689 ± 0.0002 Å |
| α | 90° |
| β | 97.521 ± 0.001° |
| γ | 90° |
| Cell volume | 1085.25 ± 0.06 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0279 |
| Residual factor for significantly intense reflections | 0.0205 |
| Weighted residual factors for significantly intense reflections | 0.0478 |
| Weighted residual factors for all reflections included in the refinement | 0.0503 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199099 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2020818 via cif-deposit CGI script. |
2020818.cif 2020818.hkl |
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Users of the data should acknowledge the original authors of the
structural data.