Crystallography Open Database

Information card for entry 2019273

2019272 << 2019273 >> 2019274

Preview

Coordinates	2019273.cif
Original IUCr paper	HTML

Structure parameters

Common name	magnesium chloride octahydrate
Chemical name	Magnesium dichloride octahydrate
Formula	Cl2 H16 Mg O8
Calculated formula	Cl2 H16 Mg O8
SMILES	[OH2][Mg]([OH2])([OH2])([OH2])([OH2])[OH2].O.[Cl-].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	11.9153 ± 0.0003 Å
b	6.7482 ± 0.0004 Å
c	13.6052 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1093.95 ± 0.08 Å³
Cell temperature	230 K
Ambient diffraction temperature	230 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0508
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2019273.cif
91273	2013-12-10	cif/ Adding structures of 2019273 via cif-deposit CGI script.	2019273.cif