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Information card for entry 4003445
Preview
| Coordinates | 4003445.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H17 Cd Cl N4 S3 |
|---|---|
| Calculated formula | C9.98 Cd Cl N4 S3 |
| Title of publication | One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution |
| Authors of publication | He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| a | 9.7644 ± 0.0014 Å |
| b | 9.7644 ± 0.0014 Å |
| c | 10.8126 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 892.8 ± 0.2 Å3 |
| Cell temperature | 360 ± 2 K |
| Ambient diffraction temperature | 360 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.2315 |
| Residual factor for significantly intense reflections | 0.1876 |
| Weighted residual factors for significantly intense reflections | 0.3751 |
| Weighted residual factors for all reflections included in the refinement | 0.3811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.519 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245095 (current) | 2019-12-14 | cif/ Adding structures of 4003445 via cif-deposit CGI script. |
4003445.cif |
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Users of the data should acknowledge the original authors of the
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