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Information card for entry 2006459
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Coordinates | 2006459.cif |
---|---|
Original IUCr paper | HTML |
Formula | C7 H4 As Cl F6 N2 S2 |
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Calculated formula | C7 H4 As Cl F6 N2 S2 |
Title of publication | 5-(<i>o</i>-Chlorophenyl)-1,3-dithia-2,4-diazolylium Hexafluoroarsenate |
Authors of publication | Clegg, William; Elsegood, Mark R.J.; Banister, Arthur J.; Hibbert, Thomas G. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 9 |
Pages of publication | 1208 - 1211 |
a | 25.76 ± 0.004 Å |
b | 8.159 ± 0.0018 Å |
c | 27.156 ± 0.004 Å |
α | 90° |
β | 116.257 ± 0.012° |
γ | 90° |
Cell volume | 5118.6 ± 1.7 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0646 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for all reflections | 0.1154 |
Weighted residual factors for significantly intense reflections | 0.1001 |
Goodness-of-fit parameter for all reflections | 1.075 |
Goodness-of-fit parameter for significantly intense reflections | 1.091 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2006459.html
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Users of the data should acknowledge the original authors of the
structural data.