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Information card for entry 4517126
Preview
| Coordinates | 4517126.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 K2 N14 O4 |
|---|---|
| Calculated formula | C6 K2 N14 O4 |
| Title of publication | Synthesis of Thermally Stable and Insensitive Energetic Materials by Incorporating the Tetrazole Functionality into Fused Ring 3,6-Dinitropyrazolo-[4,3-c]Pyrazole Framework. |
| Authors of publication | Xia, Honglei; Zhang, Wenquan; Jin, Yunhe; Song, Siwei; Wang, Kangcai; Zhang, Qinghua |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2019 |
| a | 6.0697 ± 0.0003 Å |
| b | 9.8628 ± 0.0006 Å |
| c | 33.219 ± 0.002 Å |
| α | 90° |
| β | 94.088 ± 0.002° |
| γ | 90° |
| Cell volume | 1983.6 ± 0.2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.1514 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.1512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242133 (current) | 2019-11-26 | cif/ Adding structures of 4517126 via cif-deposit CGI script. |
4517126.cif |
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Users of the data should acknowledge the original authors of the
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