Crystallography Open Database

Information card for entry 2019270

2019269 << 2019270 >> 2019271

Preview

Coordinates	2019270.cif
Original IUCr paper	HTML

Structure parameters

Common name	magnesium chloride dodecahydrate
Chemical name	Magnesium chloride dodecahydrate
Formula	Cl2 H24 Mg O12
Calculated formula	Cl2 H24 Mg O12
SMILES	O.O.O.[OH2][Mg]([OH2])([OH2])([OH2])([OH2])[OH2].[Cl-].O.O.O.[Cl-]
Title of publication	Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O
Authors of publication	Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	1292 - 1300
a	7.3496 ± 0.0016 Å
b	14.419 ± 0.003 Å
c	8.57 ± 0.003 Å
α	90°
β	113.44 ± 0.02°
γ	90°
Cell volume	833.2 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1408
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019270.cif
91270	2013-12-10	cif/ Adding structures of 2019270 via cif-deposit CGI script.	2019270.cif