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Information card for entry 2102031
Preview
| Coordinates | 2102031.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C4 H12 Cd Cl3 N |
|---|---|
| Calculated formula | C12 Cd Cl3 N |
| Title of publication | X-ray diffraction study of the phase transitions of (CH~3~)~4~NCdCl~3~ between 293 and 80K: a quantitative analysis of the ferroelastic domains distribution below 118K |
| Authors of publication | Peral, I.; Madariaga, G.; Perez-Etxebarria, A.; Breczewski, T. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 2 |
| Pages of publication | 215 - 225 |
| a | 9.126 ± 0.005 Å |
| b | 9.126 ± 0.005 Å |
| c | 6.718 ± 0.002 Å |
| α | 90 ± 0.009° |
| β | 90 ± 0.009° |
| γ | 120 ± 0.01° |
| Cell volume | 484.5 ± 0.4 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.107 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.031 |
| Goodness-of-fit parameter for all reflections | 0.665 |
| Goodness-of-fit parameter for significantly intense reflections | 0.87 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.