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Information card for entry 7226946
Preview
| Coordinates | 7226946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H6 F3 N9 O15 |
|---|---|
| Calculated formula | C9 H6 F3 N9 O15 |
| Title of publication | High-Density Insensitive Energetic Materials: 2,4,6-Tris(2-fluoro-2,2-dinitroethoxy)-1,3,5-triazine |
| Authors of publication | Gidaspov, Alexander A.; Bakharev, Vladimir V.; Suponitsky, Kyrill; Nikitin, Valery G.; Sheremetev, Aleksei B. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 7.4308 ± 0.0004 Å |
| b | 22.8382 ± 0.0012 Å |
| c | 11.8801 ± 0.0006 Å |
| α | 90° |
| β | 107.593 ± 0.001° |
| γ | 90° |
| Cell volume | 1921.83 ± 0.17 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0685 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.106 |
| Weighted residual factors for all reflections included in the refinement | 0.1224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187616 (current) | 2016-10-27 | cif/ Adding structures of 7226945, 7226946 via cif-deposit CGI script. |
7226946.cif |
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Users of the data should acknowledge the original authors of the
structural data.