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Information card for entry 7134577
Preview
| Coordinates | 7134577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H2 Cl N7 O6 |
|---|---|
| Calculated formula | C6 H2 Cl N7 O6 |
| 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 | 9.172 ± 0.0008 Å |
| b | 9.4996 ± 0.0009 Å |
| c | 13.2063 ± 0.0012 Å |
| α | 104.376 ± 0.003° |
| β | 97.79 ± 0.002° |
| γ | 102.786 ± 0.002° |
| Cell volume | 1064.67 ± 0.17 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299772 (current) | 2025-05-22 | cif/ Adding structures of 7134576, 7134577 via cif-deposit CGI script. |
7134577.cif |
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Users of the data should acknowledge the original authors of the
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