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Information card for entry 7233937
Preview
| Coordinates | 7233937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 H16 Cl N O4 |
|---|---|
| Calculated formula | C6 H16 Cl N O4 |
| SMILES | Cl(=O)(=O)(=O)[O-].[NH2+](C(C)C)C(C)C |
| Title of publication | Above-room-temperature molecular ferroelectric and fast switchable dielectric of diisopropylammonium perchlorate |
| Authors of publication | Kaige Gao; Minqiang Gu; Xiangbiao Qiu; X. N. Ying; Heng-Yun Ye; Yi Zhang; Jinglan Sun; Xiangjian Meng; F. M. Zhang; Di Wu; Hong-Ling Cai; X. S. Wu |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 9957 - 9963 |
| a | 8.15 ± 0.03 Å |
| b | 8.52 ± 0.04 Å |
| c | 8.77 ± 0.03 Å |
| α | 82.77 ± 0.19° |
| β | 65.14 ± 0.13° |
| γ | 79.9 ± 0.2° |
| Cell volume | 543 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1572 |
| Residual factor for significantly intense reflections | 0.1098 |
| Weighted residual factors for significantly intense reflections | 0.2912 |
| Weighted residual factors for all reflections included in the refinement | 0.345 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7233937.cif |
| 218436 | 2019-09-18 | cif/ Adding structures of 7233937 via cif-deposit CGI script. |
7233937.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.