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Information card for entry 2106451
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| Coordinates | 2106451.cif |
|---|
| Chemical name | Na H C2 O4 (H2 O) |
|---|---|
| Formula | C2 H3 Na O5 |
| Calculated formula | C2 H3 Na O5 |
| SMILES | C(=O)(C(=O)[O-])O.[Na+].O |
| Title of publication | Hydrogen bond studies. CX. A neutron diffraction and deformation electron density study of sodium hydrogen oxalate monohydrate, Na H C2 O4 (H2 O) |
| Authors of publication | Tellgren, R.; Thomas, J.O.; Olovsson, I. |
| Journal of publication | Acta Crystallographica B (24,1968-38,1982) |
| Year of publication | 1977 |
| Journal volume | 33 |
| Pages of publication | 3500 - 3504 |
| a | 6.5032 Å |
| b | 6.6728 Å |
| c | 5.6982 Å |
| α | 85.036° |
| β | 109.997° |
| γ | 105.016° |
| Cell volume | 224.428 Å3 |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
2106451.cif |
| 150042 | 2015-07-13 | cif/ Adding structures of 2106451 via cif-deposit CGI script. |
2106451.cif |
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Users of the data should acknowledge the original authors of the
structural data.