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Information card for entry 2242018
Preview
| Coordinates | 2242018.cif |
|---|---|
| Structure factors | 2242018.hkl |
| Original IUCr paper | HTML |
| Chemical name | bis(4-carboxy-1<i>H</i>-imidazol-3-ium) tetrachloridozincate bis(1<i>H</i>-imidazol-3-ium-4-carboxylato) monohydrate |
|---|---|
| Formula | C16 H20 Cl4 N8 O9 Zn |
| Calculated formula | C16 H20 Cl4 N8 O9 Zn |
| Title of publication | Structural characterization of two tetrachloridozincate salts of 4-carboxy-1<i>H</i>-imidazol-3-ium: a salt hydrate and a co-crystal salt hydrate |
| Authors of publication | Martens, Sean J.; Geiger, David K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 162 - 167 |
| a | 6.9369 ± 0.0019 Å |
| b | 6.9624 ± 0.0015 Å |
| c | 28.483 ± 0.008 Å |
| α | 89.524 ± 0.009° |
| β | 85.622 ± 0.009° |
| γ | 71.202 ± 0.008° |
| Cell volume | 1298.3 ± 0.6 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.072 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1235 |
| Weighted residual factors for all reflections included in the refinement | 0.1345 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190483 (current) | 2017-01-14 | cif/ hkl/ Adding structures of 2242017, 2242018 via cif-deposit CGI script. |
2242018.cif 2242018.hkl |
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Users of the data should acknowledge the original authors of the
structural data.