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Information card for entry 1550494
Preview
Coordinates | 1550494.cif |
---|---|
Structure factors | 1550494.hkl |
Original IUCr paper | HTML |
Chemical name | Barium hexahydrogen <i>cyclo</i>-tetradecaoxidotetraarsenate(V) |
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Formula | As4 Ba H6 O14 |
Calculated formula | As4 Ba H6 O14 |
SMILES | [Ba+2].[As]123(O)(O[As](O)(O)(O2)(O[As](=O)(O)O3)O[As](=O)(O1)O)O |
Title of publication | The crystal structure of BaH6As4O14 redetermined, revealing the localization of the hydrogen atoms |
Authors of publication | Weil, Matthias |
Journal of publication | IUCrData |
Year of publication | 2019 |
Journal volume | 4 |
Journal issue | 1 |
a | 8.4638 ± 0.0005 Å |
b | 11.1799 ± 0.0007 Å |
c | 5.8353 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 552.16 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 53 |
Hermann-Mauguin space group symbol | P m a n |
Hall space group symbol | -P 2ab 2 |
Residual factor for all reflections | 0.019 |
Residual factor for significantly intense reflections | 0.0149 |
Weighted residual factors for significantly intense reflections | 0.0314 |
Weighted residual factors for all reflections included in the refinement | 0.0323 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
213227 (current) | 2019-01-19 | cif/ hkl/ Adding structures of 1550494 via cif-deposit CGI script. |
1550494.cif 1550494.hkl |
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Users of the data should acknowledge the original authors of the
structural data.