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Information card for entry 7237081
Preview
| Coordinates | 7237081.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H14 Cl3 K N2 O13 |
|---|---|
| Calculated formula | C6 H14 Cl3 K N2 O13 |
| Title of publication | Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials |
| Authors of publication | Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 46 |
| Pages of publication | 7458 |
| a | 14.6921 ± 0.0005 Å |
| b | 10.4526 ± 0.0004 Å |
| c | 10.0448 ± 0.0003 Å |
| α | 90° |
| β | 91.171 ± 0.003° |
| γ | 90° |
| Cell volume | 1542.26 ± 0.09 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1002 |
| Residual factor for significantly intense reflections | 0.0759 |
| Weighted residual factors for significantly intense reflections | 0.2048 |
| Weighted residual factors for all reflections included in the refinement | 0.2241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236809 (current) | 2019-11-24 | cif/ Adding structures of 7237079, 7237080, 7237081, 7237082 via cif-deposit CGI script. |
7237081.cif |
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Users of the data should acknowledge the original authors of the
structural data.