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Information card for entry 2243856
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| Coordinates | 2243856.cif |
|---|---|
| Structure factors | 2243856.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[di-μ-bromido-bis(μ-tetrahydrothiophene)dicopper(I)] |
|---|---|
| Formula | C8 H16 Br2 Cu2 S2 |
| Calculated formula | C8 H16 Br2 Cu2 S2 |
| Title of publication | Crystal structure of the two-dimensional coordination polymer poly[di-μ-bromido-bis(μ-tetrahydrothiophene)dicopper(I)] |
| Authors of publication | Knorr, Michael; Viau, Lydie; Rousselin, Yoann; Kubicki, Marek M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 7 |
| Pages of publication | 744 - 748 |
| a | 6.8076 ± 0.0003 Å |
| b | 9.7078 ± 0.0004 Å |
| c | 10.1579 ± 0.0004 Å |
| α | 75.804 ± 0.002° |
| β | 89.845 ± 0.002° |
| γ | 89.594 ± 0.002° |
| Cell volume | 650.79 ± 0.05 Å3 |
| Cell temperature | 115 ± 0.1 K |
| Ambient diffraction temperature | 115 ± 0.1 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 | 0.0333 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0729 |
| Weighted residual factors for all reflections included in the refinement | 0.0754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα~1~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266716 (current) | 2021-06-26 | cif/ hkl/ Adding structures of 2243856 via cif-deposit CGI script. |
2243856.cif 2243856.hkl |
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