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Information card for entry 7250586
Preview
| Coordinates | 7250586.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H8 N6 O4 |
|---|---|
| Calculated formula | C4 H8 N6 O4 |
| 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 | 9.9288 ± 0.0004 Å |
| b | 6.5054 ± 0.0003 Å |
| c | 24.75 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1598.62 ± 0.12 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 K |
| Number of distinct elements | 4 |
| 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 | 0.0506 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1202 |
| Weighted residual factors for all reflections included in the refinement | 0.1246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7250586.cif |
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Users of the data should acknowledge the original authors of the
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