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Information card for entry 7120071
Preview
| Coordinates | 7120071.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H24 Cd I4 N2 |
|---|---|
| Calculated formula | C16 H24 Cd I4 N2 |
| Title of publication | A near-room-temperature organic-inorganic hybrid molecular ferroelectric: [C6H5CH2CH2NH3]2[CdI4] |
| Authors of publication | Huang, Bo; Sun, Lin-Ying; Wang, Sha-Sha; Zhang, Jianyu; Ji, Chengmin; Luo, Junhua; Zhang, Wei-Xiong; Chen, Xiao-Ming |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 10.8728 ± 0.0017 Å |
| b | 8.4539 ± 0.0011 Å |
| c | 13.6191 ± 0.0018 Å |
| α | 90° |
| β | 98.521 ± 0.004° |
| γ | 90° |
| Cell volume | 1238 ± 0.3 Å3 |
| Cell temperature | 320 ± 2 K |
| Ambient diffraction temperature | 320 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.082 |
| Residual factor for significantly intense reflections | 0.0704 |
| Weighted residual factors for significantly intense reflections | 0.1979 |
| Weighted residual factors for all reflections included in the refinement | 0.2099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.221 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196204 (current) | 2017-05-05 | cif/ Adding structures of 7120071, 7120072 via cif-deposit CGI script. |
7120071.cif |
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Users of the data should acknowledge the original authors of the
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