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Information card for entry 7239681
Preview
| Coordinates | 7239681.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H22 N12 O6 |
|---|---|
| Calculated formula | C8 H22 N12 O6 |
| Title of publication | Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents |
| Authors of publication | Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 3 |
| Pages of publication | 593 - 601 |
| a | 6.0311 ± 0.0002 Å |
| b | 6.9489 ± 0.0002 Å |
| c | 11.1061 ± 0.0004 Å |
| α | 77.437 ± 0.001° |
| β | 89.786 ± 0.001° |
| γ | 75.146 ± 0.001° |
| Cell volume | 438.46 ± 0.03 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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