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Information card for entry 8000224
Preview
| Coordinates | 8000224.cif |
|---|
| Chemical name | Ca (S O3) (H2 O)4 |
|---|---|
| Formula | Ca H8 O7 S |
| Calculated formula | Ca O6.99993 S |
| SMILES | [Ca]123([OH2])([OH2])([OH2])([OH2])[O]4S(=[O]15)[O]1[Ca]46([OH2])([OH2])([OH2])([OH2])[O]4S([O]26)=[O]3[Ca]145([OH2])([OH2])([OH2])[OH2].S(=O)([O-])[O-] |
| Title of publication | The crystal structure of calcium sulfite tetrahydrate |
| Authors of publication | Matsuno, T.; Ogura, H.; Takayanagi, H.; Furuhata, K.; Koishi, M. |
| Journal of publication | Chemistry Letters |
| Year of publication | 1983 |
| Journal volume | 1983 |
| Pages of publication | 459 - 462 |
| a | 19.384 Å |
| b | 11.192 Å |
| c | 11.449 Å |
| α | 90° |
| β | 124.34° |
| γ | 90° |
| Cell volume | 2050.9 Å3 |
| 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 |
| 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. |
8000224.cif |
| 162249 | 2015-10-09 | cif/ Adding structures of 8000224 via cif-deposit CGI script. |
8000224.cif |
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Users of the data should acknowledge the original authors of the
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