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Information card for entry 7240422
Preview
| Coordinates | 7240422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H16 N12 O16 |
|---|---|
| Calculated formula | C12 H16 N12 O16 |
| Title of publication | Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms |
| Authors of publication | Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 7.9666 ± 0.0016 Å |
| b | 18.078 ± 0.004 Å |
| c | 15.915 ± 0.003 Å |
| α | 90° |
| β | 96.91 ± 0.03° |
| γ | 90° |
| Cell volume | 2275.4 ± 0.8 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0624 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.1111 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251254 (current) | 2020-04-29 | cif/ Adding structures of 7240419, 7240420, 7240421, 7240422, 7240423 via cif-deposit CGI script. |
7240422.cif |
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Users of the data should acknowledge the original authors of the
structural data.