Crystallography Open Database

Information card for entry 2019271

2019270 << 2019271 >> 2019272

Preview

Coordinates	2019271.cif
Original IUCr paper	HTML

Structure parameters

Common name	magnesium bromide nonahydrate
Chemical name	Magnesium dibromide nonahydrate
Formula	Br2 H18 Mg O9
Calculated formula	Br2 H18 Mg O9
SMILES	[Br-].[Br-].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O
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	11.835 ± 0.004 Å
b	6.4341 ± 0.0014 Å
c	16.29 ± 0.004 Å
α	90°
β	92.04 ± 0.03°
γ	90°
Cell volume	1239.7 ± 0.6 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	2019271.cif
91271	2013-12-10	cif/ Adding structures of 2019271 via cif-deposit CGI script.	2019271.cif