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Information card for entry 7712654
Preview
| Coordinates | 7712654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H7 N11 O6 |
|---|---|
| Calculated formula | C4 H7 N11 O6 |
| Title of publication | Triazene Bridged Energetic Materials Based on Nitrotriazole: Synthesis, Characterization and Laser Ignited Combustion Performance |
| Authors of publication | Jiang, Xiue; Yang, Yalin; Du, Huiying; Yang, Bo; Tang, Pengfei; Wu, Bo; Ma, Congming |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 10.4637 ± 0.0005 Å |
| b | 16.3279 ± 0.0007 Å |
| c | 6.8604 ± 0.0003 Å |
| α | 90° |
| β | 101.482 ± 0.002° |
| γ | 90° |
| Cell volume | 1148.64 ± 0.09 Å3 |
| Cell temperature | 146 ± 2 K |
| Ambient diffraction temperature | 146 ± 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 | 0.0376 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281942 (current) | 2023-03-19 | cif/ Adding structures of 7712654, 7712655 via cif-deposit CGI script. |
7712654.cif |
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Users of the data should acknowledge the original authors of the
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