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Information card for entry 2010617
Preview
Coordinates | 2010617.cif |
---|---|
Original IUCr paper | HTML |
Formula | C10 H6 N2 O4 Se2 |
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Calculated formula | C10 H6 N2 O4 Se2 |
SMILES | O=C1C2[Se]C3=C(C(=O)N(C)C3=O)[Se]C=2C(=O)N1C |
Title of publication | <i>N</i>,<i>N</i>'-Dimethyl-1,4-dithiine-1,2:4,5-tetracarboximide and <i>N</i>,<i>N</i>'-dimethyl-1,4-diselenine-1,2:4,5-tetracarboximide |
Authors of publication | Brisse, François; Atfani, Mohamed; Bergeron, Jean-Yves; Bélanger-Gariépy, Francine; Armand, Michel |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2000 |
Journal volume | 56 |
Journal issue | 2 |
Pages of publication | 190 - 192 |
a | 9.173 ± 0.002 Å |
b | 5.302 ± 0.001 Å |
c | 12.239 ± 0.004 Å |
α | 90° |
β | 93.69 ± 0.02° |
γ | 90° |
Cell volume | 594 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.033 |
Residual factor for significantly intense reflections | 0.026 |
Weighted residual factors for all reflections | 0.075 |
Weighted residual factors for all reflections included in the refinement | 0.073 |
Goodness-of-fit parameter for all reflections | 1.077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.181 |
Diffraction radiation wavelength | 1.54056 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2010617.html
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Users of the data should acknowledge the original authors of the
structural data.