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Information card for entry 7236578
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Coordinates | 7236578.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | TNNMP |
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Chemical name | 3,4,5-Trinitro-1-(nitromethyl)-1H-pyrazole |
Formula | C4 H2 N6 O8 |
Calculated formula | C4 H2 N6 O8 |
Title of publication | 3,4,5-Trinitro-1-(nitromethyl)-1H-pyrazole (TNNMP): a perchlorate free high energy density oxidizer with high thermal stability |
Authors of publication | Kumar, Dheeraj; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M. |
Journal of publication | Journal of Materials Chemistry A |
Year of publication | 2017 |
Journal volume | 5 |
Journal issue | 21 |
Pages of publication | 10437 |
a | 6.0874 ± 0.0002 Å |
b | 19.321 ± 0.0008 Å |
c | 8.3437 ± 0.0003 Å |
α | 90° |
β | 108.255 ± 0.001° |
γ | 90° |
Cell volume | 931.95 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0354 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for significantly intense reflections | 0.0825 |
Weighted residual factors for all reflections included in the refinement | 0.0849 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/7236578.html
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