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Information card for entry 2240629
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| Coordinates | 2240629.cif |
|---|---|
| Structure factors | 2240629.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Dimethylammonium hydrogen oxalate hemi(oxalic acid) |
|---|---|
| Formula | C10 H20 N2 O12 |
| Calculated formula | C10 H20 N2 O12 |
| SMILES | C(=O)(C(=O)O)[O-].C(=O)(O)C(=O)O.C[NH2+]C.C(=O)(C(=O)O)[O-].C[NH2+]C |
| Title of publication | Crystal structure of dimethylammonium hydrogen oxalate hemi(oxalic acid) |
| Authors of publication | Diallo, Waly; Gueye, Ndongo; Crochet, Aurélien; Plasseraud, Laurent; Cattey, Hélène |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | 473 - 475 |
| a | 5.6519 ± 0.0003 Å |
| b | 7.5809 ± 0.0004 Å |
| c | 10.31 ± 0.0006 Å |
| α | 75.467 ± 0.002° |
| β | 88.12 ± 0.002° |
| γ | 69.487 ± 0.002° |
| Cell volume | 399.76 ± 0.04 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0322 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.0751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
2240629.cif 2240629.hkl |
| 219800 | 2019-10-28 | cif/2 Fixing Z values and formulae |
2240629.cif 2240629.hkl |
| 181906 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240629.cif 2240629.hkl |
| 136420 | 2015-05-13 | cif/ hkl/ Adding structures of 2240629 via cif-deposit CGI script. |
2240629.cif 2240629.hkl |
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Users of the data should acknowledge the original authors of the
structural data.