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Information card for entry 4514421
Preview
| Coordinates | 4514421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | H7 N5 O2 |
|---|---|
| Calculated formula | H7 N5 O2 |
| SMILES | O[NH3+].[O-][NH3+].[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 | 19.9594 ± 0.0004 Å |
| b | 3.5553 ± 0.0001 Å |
| c | 19.0219 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1349.83 ± 0.05 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0585 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219525 (current) | 2019-10-27 | cif/ Adding structures of 4514421 via cif-deposit CGI script. |
4514421.cif |
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Users of the data should acknowledge the original authors of the
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