Crystallography Open Database

Information card for entry 1100103

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Coordinates	1100103.cif
Original paper (by DOI)	HTML

Structure parameters

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	Etude de la structure cristalline du sulfite de magnesium hexahydrate, Mg S O3 (H2 O)6
Authors of publication	Flack, H
Journal of publication	Acta Crystallographica B (24,1968-38,1982)
Year of publication	1973
Journal volume	29
Pages of publication	656 - 658
a	8.83 ± 0.001 Å
b	8.83 ± 0.001 Å
c	9.075 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	612.8 Å³
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.059
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
186639 (current)	2016-09-18	cif/ (antanas@kurmis) Adding attached hydrogens to O atoms.	1100103.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.	1100103.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1100103.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1100103.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.	1100103.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.	1100103.cif
720	2009-05-13	cod/cif/: Adding loop_ token in front of the _publ_author_name tag in all COD entries where _publ_author_name was not in a loop (this tag is loop-mandatory).	1100103.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/'	1100103.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1100103.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.	1100103.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)	1100103.cif