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Information card for entry 7236300
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Coordinates | 7236300.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C3 H6 N10 O6 |
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Calculated formula | C3 H6 N10 O6 |
Title of publication | Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles |
Authors of publication | Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P. |
Journal of publication | Journal of Materials Chemistry A |
Year of publication | 2016 |
Journal volume | 4 |
Journal issue | 15 |
Pages of publication | 5495 |
a | 9.1227 ± 0.0005 Å |
b | 7.064 ± 0.0004 Å |
c | 16.2597 ± 0.0011 Å |
α | 90° |
β | 103.139 ± 0.006° |
γ | 90° |
Cell volume | 1020.39 ± 0.11 Å3 |
Cell temperature | 98.7 K |
Ambient diffraction temperature | 98.7 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 | 0.0448 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.084 |
Weighted residual factors for all reflections included in the refinement | 0.0893 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.7107 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/7236300.html
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Users of the data should acknowledge the original authors of the
structural data.