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Information card for entry 2021191
Preview
| Coordinates | 2021191.cif |
|---|---|
| Structure factors | 2021191.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[potassium [tetraaqua(μ-5-sulfobenzene-1,3-dicarboxylato)zinc(II)]] |
|---|---|
| Formula | C8 H11 K O11 S Zn |
| Calculated formula | C8 H11 K O11 S Zn |
| Title of publication | Synthesis, crystal structure and topological analysis of a three-dimensional polymeric network based on zinc(II), potassium and 5-sulfobenzene-1,3-dicarboxylate (SIP) |
| Authors of publication | Silva, Flávia H.; Franco, Chris H. J.; Corrêa, Charlane C.; Diniz, Renata |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 8 |
| a | 6.7891 ± 0.0001 Å |
| b | 16.7667 ± 0.0002 Å |
| c | 11.7793 ± 0.0001 Å |
| α | 90° |
| β | 90.752 ± 0.001° |
| γ | 90° |
| Cell volume | 1340.73 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0313 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for all reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.0645 |
| Goodness-of-fit parameter for all reflections | 1.03 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209288 (current) | 2018-07-27 | cif/ hkl/ Adding structures of 2021191 via cif-deposit CGI script. |
2021191.cif 2021191.hkl |
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Users of the data should acknowledge the original authors of the
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