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Information card for entry 7202108
Preview
| Coordinates | 7202108.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | triaminoguanidinium dinitramide |
|---|---|
| Chemical name | triaminoguanidinium dinitramide |
| Formula | C H9 N9 O4 |
| Calculated formula | C H9 N9 O4 |
| SMILES | O=N(=O)N=N([O-])=O.N(N)C(=[NH+]N)NN |
| Title of publication | Triaminoguanidinium dinitramide—calculations, synthesis and characterization of a promising energetic compound |
| Authors of publication | Klapötke, Thomas M.; Stierstorfer, Jörg |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 29 |
| Pages of publication | 4340 - 4346 |
| a | 12.5217 ± 0.0003 Å |
| b | 8.1036 ± 0.0002 Å |
| c | 16.9859 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1723.57 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0455 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180352 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/21. |
7202108.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202108.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202108.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7202108.cif |
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