Crystallography Open Database

Information card for entry 2019274

2019273 << 2019274 >> 2019275

Preview

Coordinates	2019274.cif
Original IUCr paper	HTML

Structure parameters

Common name	magnesium bromide hexahydrate
Chemical name	Magnesium dibromide hexahydrate
Formula	Br2 H12 Mg O6
Calculated formula	Br2 H12 Mg O6
SMILES	[Br-].[Br-].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]
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	10.2299 ± 0.0016 Å
b	7.2642 ± 0.0009 Å
c	6.1964 ± 0.0009 Å
α	90°
β	93.025 ± 0.012°
γ	90°
Cell volume	459.83 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.159
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.	2019274.cif
91274	2013-12-10	cif/ Adding structures of 2019274 via cif-deposit CGI script.	2019274.cif