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Information card for entry 7239683
Preview
| Coordinates | 7239683.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | H2BNT.2DMSO |
|---|---|
| Formula | C8 H16 N10 O6 S2 |
| Calculated formula | C8 H16 N10 O6 S2 |
| 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 | 12.991 ± 0.0007 Å |
| b | 4.6699 ± 0.0002 Å |
| c | 14.4974 ± 0.0007 Å |
| α | 90° |
| β | 95.171 ± 0.002° |
| γ | 90° |
| Cell volume | 875.93 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0482 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1215 |
| Weighted residual factors for all reflections included in the refinement | 0.1267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257497 (current) | 2020-10-06 | cif/ Updating files of 7239680, 7239681, 7239682, 7239683 Original log message: Adding full bibliography for 7239680--7239683.cif. |
7239683.cif |
| 247693 | 2020-02-04 | cif/ Updating files of 7239680, 7239681, 7239682, 7239683 Original log message: Adding full bibliography for 7239680--7239683.cif. |
7239683.cif |
| 246365 | 2020-01-01 | cif/ Adding structures of 7239680, 7239681, 7239682, 7239683 via cif-deposit CGI script. |
7239683.cif |
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Users of the data should acknowledge the original authors of the
structural data.