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Information card for entry 7235108
Preview
| Coordinates | 7235108.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H10 N16 O16 |
|---|---|
| Calculated formula | C8 H10 N16 O16 |
| Title of publication | Seeking a novel energetic co-crystal strategy through the interfacial self-assembly of CL-20 and HMX nanocrystals |
| Authors of publication | Zhang, Menghua; Tan, Yingxin; Zhao, Xu; Zhang, Jianhu; Huang, Shiliang; Zhai, Zhaohui; Liu, Yu; Yang, Zhijian |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 1 |
| Pages of publication | 61 - 67 |
| a | 16.537 ± 0.004 Å |
| b | 10.001 ± 0.004 Å |
| c | 12.295 ± 0.003 Å |
| α | 90° |
| β | 99.96 ± 0.03° |
| γ | 90° |
| Cell volume | 2002.8 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.3876 |
| Residual factor for significantly intense reflections | 0.1668 |
| Weighted residual factors for significantly intense reflections | 0.391 |
| Weighted residual factors for all reflections included in the refinement | 0.5023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257437 (current) | 2020-10-06 | cif/ Updating files of 7235108 Original log message: Adding full bibliography for 7235108.cif. |
7235108.cif |
| 247657 | 2020-02-04 | cif/ Updating files of 7235108 Original log message: Adding full bibliography for 7235108.cif. |
7235108.cif |
| 227856 | 2019-11-15 | cif/ Adding structures of 7235108 via cif-deposit CGI script. |
7235108.cif |
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Users of the data should acknowledge the original authors of the
structural data.