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Information card for entry 2241849
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| Coordinates | 2241849.cif |
|---|---|
| Structure factors | 2241849.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | glycine zinc sulfate pentahydrate |
|---|---|
| Chemical name | Hexaaquazinc(II) tetraaqua-diglycine zinc(II) bissulfate |
| Formula | C4 H30 N2 O22 S2 Zn2 |
| Calculated formula | C4 H30 N2 O22 S2 Zn2 |
| SMILES | C(=O)(C[NH3+])O[Zn]([OH2])([OH2])([OH2])([OH2])OC(=O)C[NH3+].[O-]S(=O)(=O)[O-].[OH2][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].[O-]S(=O)(=O)[O-] |
| Title of publication | Glycine zinc sulfate pentahydrate, redetermination at 10K from time-of-flight neutron Laue diffraction |
| Authors of publication | Fortes, A. Dominic; Howard, Christopher M.; Wood, Ian G.; Gutmann, Matthias J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 10 |
| Pages of publication | 1438 - 1445 |
| a | 5.9601 ± 0.0015 Å |
| b | 6.767 ± 0.0017 Å |
| c | 13.112 ± 0.004 Å |
| α | 84.955 ± 0.018° |
| β | 83.25 ± 0.02° |
| γ | 83.042 ± 0.019° |
| Cell volume | 519.8 ± 0.2 Å3 |
| Cell temperature | 10 ± 2 K |
| Ambient diffraction temperature | 10 ± 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 | 0.0892 |
| Residual factor for significantly intense reflections | 0.0892 |
| Weighted residual factors for significantly intense reflections | 0.2456 |
| Weighted residual factors for all reflections included in the refinement | 0.2456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241849.cif 2241849.hkl |
| 186607 | 2016-09-17 | cif/ hkl/ Adding structures of 2241849 via cif-deposit CGI script. |
2241849.cif 2241849.hkl |
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Users of the data should acknowledge the original authors of the
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