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Information card for entry 1010678
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Coordinates | 1010678.cif |
---|
Chemical name | Magnesium sulfate(IV) hexahydrate |
---|---|
Formula | H12 Mg O9 S |
SMILES | [Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)([O-])[O-] |
Title of publication | Crystallography of magnesium-sulphite, cobalt-sulphite and nickel- sulphite |
Authors of publication | Klasens, H A; Perdok, W G; Terpstra, P |
Journal of publication | Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) |
Year of publication | 1936 |
Journal volume | 94 |
Pages of publication | 1 - 6 |
a | 8.82 Å |
b | 8.82 Å |
c | 8.82 Å |
α | 96.33° |
β | 96.33° |
γ | 96.33° |
Cell volume | 672.6 Å3 |
Number of distinct elements | 4 |
Space group number | 146 |
Hermann-Mauguin space group symbol | R 3 :R |
Hall space group symbol | P 3* |
Has coordinates | No |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 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. |
1010678.cif |
130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1010678.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1010678.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. |
1010678.cif |
904 | 2009-11-23 | cif/ Adding a loop with _atom_site_label and _atom_site_fract_{x,y,z} tags, adn with "?" as their values, to all COD CIFs that lacked atomic coodrinates: find ? -name \*.cif \ | xargs -n1 -iX \ bash -c 'if [ $(cif_filter X | wc -l) -eq 0 ]; \ then \ echo -e "loop_\n_atom_site_label\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\n? \ ? ? ?" >> X; \ ( set -x; vcif -l 2048 X ); \ fi' This "cosmetic" change makes it easier to process COD CIFs with scripts that pick only datablocks with atomic coordinates for processing (such as cif_fitler). |
1010678.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/' |
1010678.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1010678.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. |
1010678.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) |
1010678.cif |
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Users of the data should acknowledge the original authors of the
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