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Information card for entry 1100070
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| Coordinates | 1100070.cif |
|---|
| Chemical name | Magnesium thiosulfate hexahydrate |
|---|---|
| Formula | H12 Mg O9 S2 |
| Calculated formula | H12 Mg O9 S2 |
| SMILES | [Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=S)(=O)([O-])[O-] |
| Title of publication | Refinement of the structure of magnesium thiosulfate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~ |
| Authors of publication | Baggio, S; Amzel, L; Becka, L N |
| Journal of publication | Acta Crystallographica B (24,1968-38,1982) |
| Year of publication | 1969 |
| Journal volume | 25 |
| Pages of publication | 1650 - 2653 |
| a | 9.397 ± 0.01 Å |
| b | 14.555 ± 0.015 Å |
| c | 6.864 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 938.8 Å3 |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.06 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186542 (current) | 2016-09-13 | cif/ Reducing the number of attached hydrogens for O atoms since the hydrogen atoms in question are explicitly described in the coordinate block. |
1100070.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1100070.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100070.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
1100070.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
1100070.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100070.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
1100070.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
1100070.cif |
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Users of the data should acknowledge the original authors of the
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