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Information card for entry 7241742
Preview
| Coordinates | 7241742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H37 Cd Cl I4 S32 |
|---|---|
| Calculated formula | C46 H37 Cd Cl I4 S32 |
| Title of publication | Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling |
| Authors of publication | Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 46 |
| Pages of publication | 8054 - 8062 |
| a | 9.7369 ± 0.0003 Å |
| b | 9.7369 ± 0.0003 Å |
| c | 76.074 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7212.4 ± 0.4 Å3 |
| Cell temperature | 220 ± 1 K |
| Ambient diffraction temperature | 220 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0743 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1144 |
| Weighted residual factors for all reflections included in the refinement | 0.1199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259733 (current) | 2020-12-10 | cif/ Adding structures of 7241742, 7241743, 7241744 via cif-deposit CGI script. |
7241742.cif |
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Users of the data should acknowledge the original authors of the
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