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Information card for entry 1100081
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| Coordinates | 1100081.cif |
|---|---|
| External links | AMCSD |
| Chemical name | Magnesium sulfite hexahydrate |
|---|---|
| Formula | H12 Mg O9 S |
| Calculated formula | H12 Mg O9 S |
| SMILES | [Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)([O-])[O-] |
| Title of publication | Deformation density in magnesium sulfite hexahydrate. |
| Authors of publication | Bats, J W; Fuess, H; Elerman, Y |
| Journal of publication | Acta Crystallographica B (39,1983-) |
| Year of publication | 1986 |
| Journal volume | 42 |
| Pages of publication | 552 - 557 |
| a | 5.911 ± 0.001 Å |
| b | 5.911 ± 0.001 Å |
| c | 5.911 ± 0.001 Å |
| α | 96.25 ± 0.02° |
| β | 96.25 ± 0.02° |
| γ | 96.25 ± 0.02° |
| Cell volume | 202.6 Å3 |
| Number of distinct elements | 4 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :R |
| Hall space group symbol | P 3* |
| Residual factor for all reflections | 0.038 |
| 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. |
1100081.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1100081.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100081.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. |
1100081.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
1100081.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/' |
1100081.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100081.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. |
1100081.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) |
1100081.cif |
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Users of the data should acknowledge the original authors of the
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