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Information card for entry 2106075
Preview
| Coordinates | 2106075.cif |
|---|
| Chemical name | Ca (S O3) (H2 O)4 |
|---|---|
| Formula | Ca H8 O7 S |
| Calculated formula | Ca O7 S |
| SMILES | [Ca]123([OH2])([OH2])([OH2])([OH2])[O]4[Ca]56([OH2])([OH2])([OH2])([OH2])[O]1S1=[O]2[Ca]2([OH2])([OH2])([OH2])([OH2])([O]15)[O]3S4=[O]26.S(=O)([O-])[O-] |
| Title of publication | How to avoid unneccessarily low symmetry in crystal structure determinations |
| Authors of publication | Baur, W.H.; Tillmanns, E. |
| Journal of publication | Acta Crystallographica B (39,1983-) |
| Year of publication | 1986 |
| Journal volume | 42 |
| Pages of publication | 95 - 111 |
| a | 11.192 Å |
| b | 11.192 Å |
| c | 28.36 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3076.47 Å3 |
| Number of distinct elements | 4 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| 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. |
2106075.cif |
| 141239 | 2015-07-08 | cif/ Adding structures of 2106075 via cif-deposit CGI script. |
2106075.cif |
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Users of the data should acknowledge the original authors of the
structural data.