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Information card for entry 7244679
Preview
| Coordinates | 7244679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H14 N24 O26 |
|---|---|
| Calculated formula | C13 H14 N24 O26 |
| Title of publication | Host-guest Energetic Materials: a Promising Strategy of Incorporating Small Insensitive Molecule into the Lattice Cavities of 2, 4, 6, 8, 10, 12-Hexanitrohexaazaisowurtzitane to Enhance the Safety on the Premise of Maintaining the Excellent Energy Density |
| Authors of publication | Sun, Shanhu; Wang, Zhiqiang; Zhang, Haobin; Song, Xiaomin; Jin, Dengyu; Xu, Jinjiang; Sun, Jie |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 9.762 ± 0.002 Å |
| b | 13.32 ± 0.003 Å |
| c | 23.532 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3059.9 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0695 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Weighted residual factors for all reflections included in the refinement | 0.1346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274139 (current) | 2022-03-31 | cif/ Adding structures of 7244679 via cif-deposit CGI script. |
7244679.cif |
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Users of the data should acknowledge the original authors of the
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