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Information card for entry 7711293
Preview
| Coordinates | 7711293.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H20 Cl6 Mn N2 |
|---|---|
| Calculated formula | C16 H22 Cl6 Mn N2 |
| SMILES | c1(cccc(c1)[NH+](C)C)Cl.C[NH+](C)c1cccc(c1)Cl.Cl[Mn](Cl)([Cl-])[Cl-] |
| Title of publication | Metal ion induced dual switchable dielectric and luminescent properties in hybrid halides |
| Authors of publication | Liu, Jia; Han, Li-Jun; Shao, Ting; Su, Chang-Yuan; Chen, Ming; Huang, Pei-Zhi; Jia, Qiang-Qiang; Fu, Da-Wei; Lu, Hai-Feng |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 7.53 Å |
| b | 7.699 Å |
| c | 20.946 Å |
| α | 93.96° |
| β | 94.56° |
| γ | 109.76° |
| Cell volume | 1133.22 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0444 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277973 (current) | 2022-09-19 | cif/ Adding structures of 7711293, 7711294, 7711295, 7711296, 7711297, 7711298, 7711299 via cif-deposit CGI script. |
7711293.cif |
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Users of the data should acknowledge the original authors of the
structural data.