Information card for entry 7708468
| Common name |
2,2-dihydroxymethyl-5,5-bitetrazole |
| Chemical name |
2,2-dihydroxymethyl-5,5-bitetrazole |
| Formula |
C4 H6 N8 O2 |
| Calculated formula |
C4 H6 N8 O2 |
| Title of publication |
N-Functionalisation of 5,5′-bistetrazole providing 2,2′-di(azidomethyl)bistetrazole: a melt-castable metal-free green primary explosive |
| Authors of publication |
Klapötke, Thomas M.; Kofen, Moritz; Stierstorfer, Jörg |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2021 |
| a |
4.5207 ± 0.0005 Å |
| b |
7.9263 ± 0.0009 Å |
| c |
11.5245 ± 0.0012 Å |
| α |
90° |
| β |
98.503 ± 0.01° |
| γ |
90° |
| Cell volume |
408.41 ± 0.08 Å3 |
| Cell temperature |
107 ± 2 K |
| Ambient diffraction temperature |
107 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.0387 |
| Residual factor for significantly intense reflections |
0.0313 |
| Weighted residual factors for significantly intense reflections |
0.0766 |
| Weighted residual factors for all reflections included in the refinement |
0.0811 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.052 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7708468.html
