Information card for entry 7041103
| Common name |
3,3,3-Trinitropropan-1-aminium dinitramide |
| Chemical name |
3,3,3-Trinitropropan-1-aminium dinitramide |
| Formula |
C3 H7 N7 O10 |
| Calculated formula |
C3 H7 N7 O10 |
| SMILES |
O=N(=O)C(N(=O)=O)(N(=O)=O)CC[NH3+].O=N(=O)N=N([O-])=O |
| Title of publication |
Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane. |
| Authors of publication |
Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C. |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2016 |
| Journal volume |
45 |
| Journal issue |
47 |
| Pages of publication |
18909 - 18920 |
| a |
6.7087 ± 0.0005 Å |
| b |
11.2547 ± 0.0007 Å |
| c |
15.2144 ± 0.0009 Å |
| α |
75.527 ± 0.005° |
| β |
79.28 ± 0.005° |
| γ |
75.733 ± 0.006° |
| Cell volume |
1068.48 ± 0.13 Å3 |
| Cell temperature |
123 ± 2 K |
| Ambient diffraction temperature |
123 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0436 |
| Residual factor for significantly intense reflections |
0.0336 |
| Weighted residual factors for significantly intense reflections |
0.102 |
| Weighted residual factors for all reflections included in the refinement |
0.1144 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.826 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7041103.html
