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Information card for entry 2243502
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| Coordinates | 2243502.cif |
|---|---|
| Structure factors | 2243502.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-iodido-bis[(acetonitrile-κ<i>N</i>)(6-sulfanylidenepiperidin-2-one-κ<i>S</i>)copper(I)] |
|---|---|
| Formula | C14 H20 Cu2 I2 N4 O2 S2 |
| Calculated formula | C14 H20 Cu2 I2 N4 O2 S2 |
| SMILES | [I]1[Cu]2([I][Cu]12([N]#CC)[S]=C1CCCC(=O)N1)([N]#CC)[S]=C1CCCC(=O)N1 |
| 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 | 8.121 ± 0.002 Å |
| b | 8.433 ± 0.002 Å |
| c | 9.154 ± 0.002 Å |
| α | 68.918 ± 0.012° |
| β | 80.523 ± 0.012° |
| γ | 71.27 ± 0.009° |
| Cell volume | 553.1 ± 0.2 Å3 |
| Cell temperature | 99.99 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0126 |
| Residual factor for significantly intense reflections | 0.0121 |
| Weighted residual factors for significantly intense reflections | 0.03 |
| Weighted residual factors for all reflections included in the refinement | 0.0301 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| 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. |
2243502.cif 2243502.hkl |
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Users of the data should acknowledge the original authors of the
structural data.