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Information card for entry 2019273
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Coordinates | 2019273.cif |
---|---|
Original IUCr paper | HTML |
Common name | magnesium chloride octahydrate |
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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 Fobs | No |
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The link is: https://www.crystallography.net/2019273.html
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