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Information card for entry 7059008
Preview
| Coordinates | 7059008.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H12 Cl N11 O4 |
|---|---|
| Calculated formula | C9 H12 Cl N11 O4 |
| Title of publication | New green energetic materials based on unsymmetrically substituted pyrazole-tetrazine and hydroperchlorate thereof |
| Authors of publication | Yang, Zhen-Li; Wang, Zhen; Cao, Wenli; Li, Tong; Yang, Junqing; Zhang, Jianguo |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| a | 7.2659 ± 0.0009 Å |
| b | 9.2453 ± 0.0014 Å |
| c | 11.8288 ± 0.0016 Å |
| α | 72.19 ± 0.002° |
| β | 86.574 ± 0.003° |
| γ | 84.812 ± 0.003° |
| Cell volume | 752.99 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0939 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1243 |
| Weighted residual factors for all reflections included in the refinement | 0.1447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223440 (current) | 2019-11-07 | cif/ Adding structures of 7059007, 7059008, 7059009, 7059010 via cif-deposit CGI script. |
7059008.cif |
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