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Information card for entry 7712629
Preview
| Coordinates | 7712629.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H14 Cu2 I3 N |
|---|---|
| Calculated formula | C5 H14 Cu2 I3 N |
| Title of publication | A {Cu2I3−}∞ Chain Hybrid with Two-step Phase Transition, Switchable Dielectrics, Thermochromism and Piezochromism |
| Authors of publication | Li, Qing-Qing; Pan, Xue-Wei; Zhai, Lu; Zhang, Jin; Ren, Xiaoming |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 8.3123 ± 0.0006 Å |
| b | 17.2607 ± 0.0014 Å |
| c | 9.8344 ± 0.0008 Å |
| α | 90° |
| β | 94.641 ± 0.002° |
| γ | 90° |
| Cell volume | 1406.38 ± 0.19 Å3 |
| Cell temperature | 360 ± 2 K |
| Ambient diffraction temperature | 360 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0911 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1535 |
| Weighted residual factors for all reflections included in the refinement | 0.1779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281896 (current) | 2023-03-16 | cif/ Adding structures of 7712628, 7712629, 7712630, 7712631 via cif-deposit CGI script. |
7712629.cif |
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Users of the data should acknowledge the original authors of the
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