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Information card for entry 7712628
Preview
| Coordinates | 7712628.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 | 8.2892 ± 0.0003 Å |
| b | 9.5653 ± 0.0003 Å |
| c | 9.7954 ± 0.0003 Å |
| α | 61.1868 ± 0.0009° |
| β | 83.7127 ± 0.0011° |
| γ | 85.3326 ± 0.0011° |
| Cell volume | 676.05 ± 0.04 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1147 |
| Weighted residual factors for all reflections included in the refinement | 0.1271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| 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. |
7712628.cif |
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Users of the data should acknowledge the original authors of the
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