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Information card for entry 7250588
Preview
| Coordinates | 7250588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H11 N5 O3 |
|---|---|
| Calculated formula | C6 H11 N5 O3 |
| Title of publication | Constructing high-performance and insensitive energetic salts through increased hydrogen bonds† |
| Authors of publication | Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 11.5773 ± 0.0008 Å |
| b | 6.4537 ± 0.0005 Å |
| c | 12.635 ± 0.0009 Å |
| α | 90° |
| β | 117.101 ± 0.002° |
| γ | 90° |
| Cell volume | 840.39 ± 0.11 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0821 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1345 |
| Weighted residual factors for all reflections included in the refinement | 0.1657 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300192 (current) | 2025-06-26 | cif/ Adding structures of 7250585, 7250586, 7250587, 7250588 via cif-deposit CGI script. |
7250588.cif |
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Users of the data should acknowledge the original authors of the
structural data.