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Information card for entry 7019818
Preview
| Coordinates | 7019818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 5-Nitriminotetrazole 2-amino-5H-tetrazole |
|---|---|
| Chemical name | 5-Nitriminotetrazole 2-amino-5H-tetrazole |
| Formula | C2 H5 N11 O2 |
| Calculated formula | C2 H5 N11 O2 |
| SMILES | [nH]1nn[nH]c1=NN(=O)=O.c1nn(N)nn1 |
| Title of publication | Amination of energetic anions: high-performing energetic materials. |
| Authors of publication | Klapötke, Thomas M; Piercey, Davin G.; Stierstorfer, Jörg |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 31 |
| Pages of publication | 9451 - 9459 |
| a | 13.0616 ± 0.0009 Å |
| b | 8.8579 ± 0.0006 Å |
| c | 6.9023 ± 0.0005 Å |
| α | 90° |
| β | 90.859 ± 0.007° |
| γ | 90° |
| Cell volume | 798.49 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0496 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0625 |
| Weighted residual factors for all reflections included in the refinement | 0.0656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7019818.cif |
| 179902 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/98. |
7019818.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019818.cif |
| 64322 | 2012-08-12 | cif/ Adding structures of 7019818, 7019819, 7019820, 7019821, 7019822, 7019823 via cif-deposit CGI script. |
7019818.cif |
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Users of the data should acknowledge the original authors of the
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