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Information card for entry 7224087
Preview
| Coordinates | 7224087.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | zinc maleate tetrahydrate |
|---|---|
| Chemical name | Tetra-aqua-bis(hydrogen maleato)-zinc(ii) |
| Formula | C8 H14 O12 Zn |
| Calculated formula | C8 H14 O12 Zn |
| SMILES | [OH2][Zn]([OH2])([OH2])([OH2])(OC(=O)/C=C\C(=O)O)OC(=O)/C=C\C(=O)O |
| Title of publication | The crucial role of water in shaping low-barrier hydrogen bonds. |
| Authors of publication | Ruggiero, Michael T.; Korter, Timothy M. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 7 |
| Pages of publication | 5521 - 5528 |
| a | 5.1749 ± 0.0002 Å |
| b | 7.2736 ± 0.0003 Å |
| c | 9.1901 ± 0.0004 Å |
| α | 108.304 ± 0.002° |
| β | 105.213 ± 0.002° |
| γ | 92.434 ± 0.002° |
| Cell volume | 313.95 ± 0.02 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.029 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0616 |
| Weighted residual factors for all reflections included in the refinement | 0.063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224087.cif |
| 177935 | 2016-03-05 | cif/ Updating files of 7224087, 7224088, 7224089, 7224090, 7224091 Original log message: Adding full bibliography for 7224087--7224091.cif. |
7224087.cif |
| 175407 | 2016-02-02 | cif/ Adding structures of 7224087, 7224088, 7224089, 7224090, 7224091 via cif-deposit CGI script. |
7224087.cif |
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Users of the data should acknowledge the original authors of the
structural data.