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Information card for entry 7134576
Preview
| Coordinates | 7134576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H7 N7 |
|---|---|
| Calculated formula | C5 H7 N7 |
| Title of publication | Trinitromethyl- and Nitramino-Substituted Triazolo-Pyridazines: Synthesis and Energetic Performance |
| Authors of publication | Nehe, Sagar; Yadav, Abhishek Kumar; Ghule, Vikas; Dharavath, Srinivas |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 6.906 ± 0.0003 Å |
| b | 12.145 ± 0.0006 Å |
| c | 15.993 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1341.39 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299772 (current) | 2025-05-22 | cif/ Adding structures of 7134576, 7134577 via cif-deposit CGI script. |
7134576.cif |
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Users of the data should acknowledge the original authors of the
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