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Information card for entry 7235811
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| Coordinates | 7235811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 5,5-bis-2,3-diaminotriazolium di-5-nitrotetrazol-2-N-oxide |
|---|---|
| Chemical name | 5,5-bis-2,3-diaminotriazolium di-5-nitrotetrazol-2-N-oxide |
| Formula | C6 H10 N20 O6 |
| Calculated formula | C6 H10 N20 O6 |
| Title of publication | Thermal stabilization of energetic materials by the aromatic nitrogen-rich 4,4′,5,5′-tetraamino-3,3′-bi-1,2,4-triazolium cation |
| Authors of publication | Klapötke, Thomas M.; Schmid, Philipp. C.; Schnell, Simon; Stierstorfer, Jörg |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2015 |
| Journal volume | 3 |
| Journal issue | 6 |
| Pages of publication | 2658 |
| a | 6.6569 ± 0.0006 Å |
| b | 8.3735 ± 0.0008 Å |
| c | 8.5943 ± 0.0008 Å |
| α | 88.177 ± 0.008° |
| β | 68.659 ± 0.009° |
| γ | 69.429 ± 0.008° |
| Cell volume | 415.22 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 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 | 0.0486 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233355 (current) | 2019-11-23 | cif/ Adding structures of 7235811, 7235812, 7235813, 7235814, 7235815, 7235816, 7235817, 7235818, 7235819, 7235820, 7235821, 7235822, 7235823, 7235824 via cif-deposit CGI script. |
7235811.cif |
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Users of the data should acknowledge the original authors of the
structural data.