Information card for entry 7708207
Formula |
C5 H7 N15 O6 |
Calculated formula |
C5 H7 N15 O6 |
Title of publication |
Nitrogen-Rich Metal-Free Salts: a New Look at 5 (Trinitromethyl)tetrazolate Anion as an Energetic Moiety |
Authors of publication |
Chaplygin, Daniil; Larin, Alexander; Muravyev, Nikita V.; Meerov, Dmitry B.; Kosareva, Ekaterina; Kiselev, Vitaly G.; Pivkina, Alla N.; Ananyev, Ivan V.; Fershtat, Leonid |
Journal of publication |
Dalton Transactions |
Year of publication |
2021 |
a |
10.9617 ± 0.0005 Å |
b |
12.906 ± 0.0006 Å |
c |
10.4101 ± 0.0005 Å |
α |
90° |
β |
112.555 ± 0.0017° |
γ |
90° |
Cell volume |
1360.09 ± 0.11 Å3 |
Cell temperature |
120 ± 2 K |
Ambient diffraction temperature |
120 ± 2 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 |
0.0952 |
Residual factor for significantly intense reflections |
0.0504 |
Weighted residual factors for significantly intense reflections |
0.1111 |
Weighted residual factors for all reflections included in the refinement |
0.1229 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.01 |
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/7708207.html