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Information card for entry 4003687
Preview
| Coordinates | 4003687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H14 Cd Cl3 N O |
|---|---|
| Calculated formula | C5 H14 Cd Cl3 N O |
| Title of publication | Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance |
| Authors of publication | Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 16.79 ± 0.002 Å |
| b | 8.0795 ± 0.0011 Å |
| c | 7.7649 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1053.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0126 |
| Residual factor for significantly intense reflections | 0.0124 |
| Weighted residual factors for significantly intense reflections | 0.0299 |
| Weighted residual factors for all reflections included in the refinement | 0.0299 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256742 (current) | 2020-09-25 | cif/ Adding structures of 4003687 via cif-deposit CGI script. |
4003687.cif |
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Users of the data should acknowledge the original authors of the
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