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Information card for entry 1100080
Preview
| Coordinates | 1100080.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Chemical name | Magnesium sulfate(IV) 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 | Neutron Diffraction Refinement of Magnesium Sulfite Hexahydrate, MgSO~3~.(H~2~O)~6~ |
| Authors of publication | Anderson, L.; Lindquist, O. |
| Journal of publication | Acta Crystallographica, Section C: Crystal Structure Communications |
| Year of publication | 1984 |
| Journal volume | 40 |
| Journal issue | 4 |
| Pages of publication | 584 - 586 |
| a | 5.933 ± 0.002 Å |
| b | 5.933 ± 0.002 Å |
| c | 5.933 ± 0.002 Å |
| α | 96.28 ± 0.02° |
| β | 96.28 ± 0.02° |
| γ | 96.28 ± 0.02° |
| Cell volume | 204.8 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 | 0.036 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184397 (current) | 2016-07-12 | cif/1/10/ Correcting the '_atom_site_attached_hydrogens' values. Oxygen atoms 'O2' and 'O3' were both marked as having two attached hydrogens even though coordinates for these hydrogens were given explicitly. The number of attached hydrogens was changed from '2' to '0' for these atoms. |
1100080.cif |
| 184215 | 2016-07-05 | cif/1/10/ Correcting the sign of the 'O2' atom z coordinate in entry 1100080 after consulting the original publication. |
1100080.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. |
1100080.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100080.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. |
1100080.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. |
1100080.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/' |
1100080.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100080.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. |
1100080.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) |
1100080.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.