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Information card for entry 7240273
Preview
| Coordinates | 7240273.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H48 Cl6 N36 O30 |
|---|---|
| Calculated formula | C21 H48 Cl6 N36 O30 |
| Title of publication | Superior thermally robust energetic materials featuring Z-E isomeric bis(3,4-diamino-1,2,4-triazol-5-yl)-1H-pyrazole: self-assembly nitrogen-rich tubes and templates with Hofmeister anions capture architecture |
| Authors of publication | Geng, Wenjing; Jia, Yunfei; Chen, Ya; Ma, Qing; Fan, Guijuan; Liao, Longyu |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 10.876 ± 0.004 Å |
| b | 12.218 ± 0.004 Å |
| c | 12.367 ± 0.005 Å |
| α | 66.42 ± 0.007° |
| β | 78.642 ± 0.007° |
| γ | 69.642 ± 0.007° |
| Cell volume | 1408.9 ± 0.9 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1531 |
| Residual factor for significantly intense reflections | 0.0934 |
| Weighted residual factors for significantly intense reflections | 0.2572 |
| Weighted residual factors for all reflections included in the refinement | 0.3128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250475 (current) | 2020-04-08 | cif/ Adding structures of 7240273, 7240274 via cif-deposit CGI script. |
7240273.cif |
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