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Information card for entry 4514422
Preview
| Coordinates | 4514422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | H4 N4 |
|---|---|
| Calculated formula | H4 N4 |
| SMILES | [NH4+].[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 | 8.9331 ± 0.001 Å |
| b | 3.7824 ± 0.0004 Å |
| c | 8.6519 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 292.34 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 53 |
| Hermann-Mauguin space group symbol | P m n a |
| Hall space group symbol | -P 2ac 2 |
| Residual factor for all reflections | 0.0284 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0714 |
| Weighted residual factors for all reflections included in the refinement | 0.0748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.179 |
| 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. |
4514422.cif |
| 270074 | 2021-10-24 | cif/4 Fixing Z values and formulae |
4514422.cif |
| 219526 | 2019-10-27 | cif/ Adding structures of 4514422 via cif-deposit CGI script. |
4514422.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.