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Information card for entry 7134830
Preview
| Coordinates | 7134830.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H9 Cl N8 |
|---|---|
| Calculated formula | C6 H9 Cl N8 |
| 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 | 27.527 ± 0.004 Å |
| b | 3.8158 ± 0.0005 Å |
| c | 21.717 ± 0.003 Å |
| α | 90° |
| β | 128.059 ± 0.004° |
| γ | 90° |
| Cell volume | 1796.1 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0856 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.143 |
| Weighted residual factors for all reflections included in the refinement | 0.1627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| 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. |
7134830.cif |
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Users of the data should acknowledge the original authors of the
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