Crystallography Open Database

Information card for entry 1100077

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Structure parameters

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 thiosulphate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~
Authors of publication	Baggio, S; Amzel, L M; Becka, L N
Journal of publication	Acta Crystallographica B (24,1968-38,1982)
Year of publication	1969
Journal volume	25
Pages of publication	2650 - 2653
a	9.397 ± 0.01 Å
b	14.455 ± 0.015 Å
c	6.864 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	932.4 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
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1100077.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1100077.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1100077.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.	1100077.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/'	1100077.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1100077.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.	1100077.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)	1100077.cif