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Information card for entry 7134831
Preview
| Coordinates | 7134831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H9 Cl N8 O4 |
|---|---|
| Calculated formula | C6 H9 Cl N8 O4 |
| Title of publication | Tetraamino-Driven Hydrogen-Bonding Networks: A Selective Self-Assembly Paradigm for Energetic Materials |
| Authors of publication | Wang, Yaxi; Liu, Junliang; He, Jinxuan; Ren, Xiaoting; Hu, Lu; Pang, Si-Ping |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 6.8415 ± 0.0007 Å |
| b | 15.8632 ± 0.0013 Å |
| c | 9.8345 ± 0.0009 Å |
| α | 90° |
| β | 92.574 ± 0.003° |
| γ | 90° |
| Cell volume | 1066.24 ± 0.17 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0904 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1425 |
| Weighted residual factors for all reflections included in the refinement | 0.163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301249 (current) | 2025-07-15 | cif/ Adding structures of 7134829, 7134830, 7134831 via cif-deposit CGI script. |
7134831.cif |
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Users of the data should acknowledge the original authors of the
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