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Information card for entry 2019271
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Coordinates | 2019271.cif |
---|---|
Original IUCr paper | HTML |
Common name | magnesium bromide nonahydrate |
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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 Fobs | No |
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The link is: https://www.crystallography.net/2019271.html
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