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Information card for entry 7250585
Preview
| Coordinates | 7250585.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H8 Cl N5 O5 |
|---|---|
| Calculated formula | C4 H8 Cl N5 O5 |
| 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 | 7.8315 ± 0.0003 Å |
| b | 8.8391 ± 0.0003 Å |
| c | 12.7423 ± 0.0005 Å |
| α | 90° |
| β | 92.95 ± 0.002° |
| γ | 90° |
| Cell volume | 880.9 ± 0.06 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 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 | 0.0446 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.1005 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| 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. |
7250585.cif |
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Users of the data should acknowledge the original authors of the
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