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Information card for entry 7243159
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Coordinates | 7243159.cif |
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Original paper (by DOI) | HTML |
Formula | C4 H N9 O6 |
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Calculated formula | C4 H N9 O6 |
Title of publication | [(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment |
Authors of publication | Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A. |
Journal of publication | RSC Advances |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 39 |
Pages of publication | 24013 - 24021 |
a | 6.2831 ± 0.001 Å |
b | 6.0046 ± 0.001 Å |
c | 13.003 ± 0.002 Å |
α | 90° |
β | 91.56 ± 0.003° |
γ | 90° |
Cell volume | 490.39 ± 0.14 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0788 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.1071 |
Weighted residual factors for all reflections included in the refinement | 0.1175 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7243159.html
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Users of the data should acknowledge the original authors of the
structural data.