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Information card for entry 7059010
Preview
| Coordinates | 7059010.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H8 Cl N9 O5 |
|---|---|
| Calculated formula | C6 H8 Cl N9 O5 |
| 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 | 5.112 ± 0.0005 Å |
| b | 25.16 ± 0.002 Å |
| c | 9.8231 ± 0.0009 Å |
| α | 90° |
| β | 96.65 ± 0.002° |
| γ | 90° |
| Cell volume | 1254.9 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 5 |
| 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 | 0.165 |
| Residual factor for significantly intense reflections | 0.1039 |
| Weighted residual factors for significantly intense reflections | 0.2325 |
| Weighted residual factors for all reflections included in the refinement | 0.2616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7059010.cif |
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Users of the data should acknowledge the original authors of the
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