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Information card for entry 7245830
Preview
| Coordinates | 7245830.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 N6 Ni S4 |
|---|---|
| Calculated formula | C16 H15 N6 Ni S4 |
| SMILES | [Ni]12(SC(=C(S1)C#N)C#N)SC(=C(S2)C#N)C#N.n1(C)cc[n+](c1)CCCC |
| Title of publication | Multi-step phase transition crystal with dielectric constant bistability and temperature-dependent conductivity |
| Authors of publication | Feng, W. B.; Xu, W.; Duan, H. B.; Zhang, H. |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 50 |
| Pages of publication | 32475 - 32479 |
| a | 10.7039 ± 0.0005 Å |
| b | 7.4586 ± 0.0004 Å |
| c | 26.8087 ± 0.0014 Å |
| α | 90° |
| β | 93.095 ± 0.002° |
| γ | 90° |
| Cell volume | 2137.18 ± 0.19 Å3 |
| Cell temperature | 353 ± 2 K |
| Ambient diffraction temperature | 353 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0878 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279279 (current) | 2022-11-15 | cif/ Adding structures of 7245829, 7245830 via cif-deposit CGI script. |
7245830.cif |
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Users of the data should acknowledge the original authors of the
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