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Information card for entry 4124270
Preview
| Coordinates | 4124270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H5 N7 O3 |
|---|---|
| Calculated formula | C3 H5 N7 O3 |
| Title of publication | Enforced Layer-by-layer Stacking of Energetic Salts towards High-performance Insensitive Energetic Materials. |
| Authors of publication | Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Pages of publication | 150814061208001 |
| a | 4.5123 ± 0.0007 Å |
| b | 13.439 ± 0.002 Å |
| c | 11.8813 ± 0.0019 Å |
| α | 90° |
| β | 95.021 ± 0.002° |
| γ | 90° |
| Cell volume | 717.73 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0343 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.0846 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 153435 (current) | 2015-08-15 | cif/ Adding structures of 4124270 via cif-deposit CGI script. |
4124270.cif |
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Users of the data should acknowledge the original authors of the
structural data.