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Information card for entry 1551061
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| Coordinates | 1551061.cif |
|---|---|
| Structure factors | 1551061.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Ethylammonium hydrogen oxalate–oxalic acid (2/1) |
|---|---|
| Formula | C10 H20 N2 O12 |
| Calculated formula | C10 H20 N2 O12 |
| SMILES | [NH3+]CC.C(=O)(C(=O)[O-])O.C(=O)(C(=O)O)O.[NH3+]CC.C(=O)(C(=O)[O-])O |
| Title of publication | Ethylammonium hydrogen oxalate–oxalic acid (2/1) |
| Authors of publication | Toure, Assane; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 5 |
| Pages of publication | x190635 |
| a | 21.1667 ± 0.0008 Å |
| b | 6.6243 ± 0.0003 Å |
| c | 11.3247 ± 0.0004 Å |
| α | 90° |
| β | 91.509 ± 0.002° |
| γ | 90° |
| Cell volume | 1587.34 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0333 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0706 |
| Weighted residual factors for all reflections included in the refinement | 0.0747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551061.cif 1551061.hkl |
| 215178 | 2019-05-15 | cif/ hkl/ Adding structures of 1551061 via cif-deposit CGI script. |
1551061.cif 1551061.hkl |
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Users of the data should acknowledge the original authors of the
structural data.