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Information card for entry 4514423
Preview
| Coordinates | 4514423.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | H5 N5 |
|---|---|
| Calculated formula | H5 N5 |
| SMILES | [NH3+]N.N#N=[N-] |
| Title of publication | A Safe and Scaled-Up Route to Inert Ammonia Oxide Hydroxylammonium Azide (H7N5O2), Hydrazinium Azide (H5N5), and Ammonium Azide (H4N4) |
| Authors of publication | Zhao, Gang; Kumar, Dheeraj; Hu, Lu; Shreeve, Jean’ne M. |
| Journal of publication | ACS Applied Energy Materials |
| Year of publication | 2019 |
| Journal volume | 2 |
| Journal issue | 9 |
| Pages of publication | 6919 |
| a | 5.641 ± 0.002 Å |
| b | 5.521 ± 0.002 Å |
| c | 11.306 ± 0.004 Å |
| α | 90° |
| β | 93.261 ± 0.004° |
| γ | 90° |
| Cell volume | 351.5 ± 0.2 Å3 |
| Cell temperature | 243 ± 2 K |
| Ambient diffraction temperature | 243 ± 2 K |
| Number of distinct elements | 2 |
| 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 | 0.0636 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1145 |
| Weighted residual factors for all reflections included in the refinement | 0.128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4514423.cif |
| 219527 | 2019-10-27 | cif/ Adding structures of 4514423 via cif-deposit CGI script. |
4514423.cif |
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Users of the data should acknowledge the original authors of the
structural data.