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Information card for entry 2242183
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| Coordinates | 2242183.cif |
|---|---|
| Structure factors | 2242183.hkl |
| Original IUCr paper | HTML |
| Common name | 2,4-Bis(dimethylamino)-1,3-diethylcyclodiphosphazane-2,4-dithione |
|---|---|
| Chemical name | 2,4-Bis(dimethylamino)-1,3-diethyl-1,3,2λ^5^,4λ^5^-diazadiphosphetidine-2,4-dithione |
| Formula | C8 H22 N4 P2 S2 |
| Calculated formula | C8 H22 N4 P2 S2 |
| SMILES | S=P1(N(C)C)N(P(=S)(N1CC)N(C)C)CC |
| Title of publication | Crystal structure and Hirshfeld surface analysis of the new cyclodiphosphazane [EtNP(S)NMe~2~]~2~ |
| Authors of publication | Issaoui, Chokri; Chebbi, Hammouda; Alouani, Khaled; Guesmi, Abderrahmen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 5 |
| Pages of publication | 682 - 686 |
| a | 7.1975 ± 0.001 Å |
| b | 11.448 ± 0.002 Å |
| c | 9.645 ± 0.002 Å |
| α | 90° |
| β | 96.39 ± 0.03° |
| γ | 90° |
| Cell volume | 789.8 ± 0.2 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199153 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242183 via cif-deposit CGI script. |
2242183.cif 2242183.hkl |
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Users of the data should acknowledge the original authors of the
structural data.