Crystallography Open Database

Information card for entry 1100095

Preview

Coordinates	1100095.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Hexamagnesium dihydrogensulfate hydroxide
Formula	H14 Mg6 O16 S
Calculated formula	H14 Mg6 O16 S
SMILES	[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].O.O.S(=O)(=O)([O-])[O-]
Title of publication	Structure of Mg~6~SO~2~(OH)~14~ determined by micro single-crystal X-ray diffraction
Authors of publication	Hamada, E.; Ishizawa, N.; Marumo, F.; Ohsumi, K.; Shimizugawa, Y.; Reizen, K.; Matsunami, T.
Journal of publication	Acta Crystallographica B (39,1983-)
Year of publication	1996
Journal volume	52
Journal issue	2
Pages of publication	266 - 269
a	15.895 ± 0.001 Å
b	3.105 ± 0.001 Å
c	13.367 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	659.7 Å³
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C c m m
Hall space group symbol	-C 2c 2c
Residual factor for all reflections	0.073
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188422 (current)	2016-11-14	cif/1 (antanas@kurmis) Updating bibliography for entries 1001045, 1001660, 1008087, 1008280, 1100083, 1100095.	1100095.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1100095.cif
91022	2013-11-26	cod/ (agne@lokys) Deleting dummy hydrogen sites from those COD entries where this operation lead to the correspondence of the calculated and declared summary chemical formulae.	1100095.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1100095.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.	1100095.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/'	1100095.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1100095.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.	1100095.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)	1100095.cif