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Information card for entry 2243503
Preview
| Coordinates | 2243503.cif |
|---|---|
| Structure factors | 2243503.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(acetonitrile-κ<i>N</i>)tetra-μ~3~-iodido-bis(6-sulfanylidenepiperidin-2-one-κ<i>S</i>)-<i>tetrahedro</i>-tetracopper(I) |
|---|---|
| Formula | C14 H20 Cu4 I4 N4 O2 S2 |
| Calculated formula | C14 H20 Cu4 I4 N4 O2 S2 |
| SMILES | C1(CCCC(=O)N1)=[S][Cu]12345[I]6[Cu]7892([I]1[Cu]1248([I]7[Cu]5692([I]31)[N]#CC)[S]=C1CCCC(=O)N1)[N]#CC |
| 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 | 14.4669 ± 0.0008 Å |
| b | 12.2157 ± 0.0007 Å |
| c | 16.9969 ± 0.0011 Å |
| α | 90° |
| β | 112.562 ± 0.005° |
| γ | 90° |
| Cell volume | 2773.9 ± 0.3 Å3 |
| Cell temperature | 104.97 K |
| Ambient diffraction temperature | 104.97 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0263 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0628 |
| Weighted residual factors for all reflections included in the refinement | 0.0634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
2243503.cif 2243503.hkl |
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Users of the data should acknowledge the original authors of the
structural data.