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Information card for entry 2300373
Preview
| Coordinates | 2300373.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Sulfuric_acid_octahydrate |
|---|---|
| Formula | H18 O12 S |
| Calculated formula | O12 S |
| SMILES | S(=O)(=O)(O)[O-].[OH2][H][OH2].O.O.O.O.O.O |
| Title of publication | Structure and thermal expansion of sulfuric acid octahydrate |
| Authors of publication | Maynard-Casely, Helen E.; Brand, Helen E. A.; Wallwork, Kia S. |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2012 |
| Journal volume | 45 |
| Journal issue | 6 |
| Pages of publication | 1198 - 1207 |
| a | 7.44247 ± 0.00011 Å |
| b | 7.445 ± 0.0001 Å |
| c | 26.1168 ± 0.0003 Å |
| α | 90° |
| β | 125.043 ± 0.0007° |
| γ | 90° |
| Cell volume | 1184.78 ± 0.03 Å3 |
| Cell temperature | 80 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor R(I) for significantly intense reflections | 7.462 |
| Goodness-of-fit parameter for all reflections | 9.113 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.989536 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176809 (current) | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2300373.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2300373.cif |
| 71101 | 2013-01-18 | cif/ Adding structures of 2300373 via cif-deposit CGI script. |
2300373.cif |
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Users of the data should acknowledge the original authors of the
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