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Information card for entry 2105667
Preview
| Coordinates | 2105667.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C2 H6 O6 |
|---|---|
| Calculated formula | C2 H6 O6 |
| SMILES | OC(=O)C(=O)O.O.O |
| Title of publication | Charge Density Studies Using CCD Detectors: Oxalic Acid at 100 K Revisited |
| Authors of publication | Martin, A.; Pinkerton, A. A. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 471 - 477 |
| a | 6.1024 ± 0.0001 Å |
| b | 3.4973 ± 0.0001 Å |
| c | 11.9586 ± 0.0002 Å |
| α | 90° |
| β | 105.771 ± 0.001° |
| γ | 90° |
| Cell volume | 245.612 ± 0.009 Å3 |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278324 (current) | 2022-10-03 | cod/ Added an explicit space group symmetry operation list based on the provided space group symbols and updated space group information using the 'cif_filter' program. |
2105667.cif |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105667.cif |
| 90947 | 2013-11-21 | cif/2/10/ (saulius@koala.ibt.lt) Adding structures form the 'fr0004' CIF (1998 Acta Cryst B); the structures were rejected by the automated COD deposition pipeline because of missing thermal displacement parameters. |
2105667.cif |
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Users of the data should acknowledge the original authors of the
structural data.