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Information card for entry 2243506
Preview
| Coordinates | 2243506.cif |
|---|---|
| Structure factors | 2243506.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Poly[(μ-isoindoline-1,3-dithione-κ^2^<i>S</i>:<i>S</i>)copper(I)]-μ~3~-iodido] |
|---|---|
| Formula | C8 H5 Cu I N S2 |
| Calculated formula | C8 H5 Cu I N S2 |
| Title of publication | Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands |
| Authors of publication | Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 8 |
| Pages of publication | 1336 - 1344 |
| a | 15.174 ± 0.005 Å |
| b | 4.1188 ± 0.0016 Å |
| c | 15.785 ± 0.006 Å |
| α | 90° |
| β | 92.98 ± 0.02° |
| γ | 90° |
| Cell volume | 985.2 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0429 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254475 (current) | 2020-07-22 | cif/ hkl/ Adding structures of 2243502, 2243503, 2243504, 2243505, 2243506 via cif-deposit CGI script. |
2243506.cif 2243506.hkl |
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Users of the data should acknowledge the original authors of the
structural data.