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Information card for entry 2021939
Preview
| Coordinates | 2021939.cif |
|---|---|
| Structure factors | 2021939.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[μ-5,5'-bis(1<i>H</i>-imidazol-1-yl)-2,2'-bithiophene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-4,4'-oxydibenzoato-κ^2^<i>O</i>:<i>O</i>')copper(II)] |
|---|---|
| Formula | C28 H18 Cu N4 O5 S2 |
| Calculated formula | C28 H18 Cu N4 O5 S2 |
| Title of publication | One-pot concomitant preparation of two copper(II) coordination polymers with different configurations of bridging bithiophene ligands |
| Authors of publication | Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 1 |
| Pages of publication | 37 - 43 |
| a | 21.086 ± 0.002 Å |
| b | 8.0671 ± 0.0009 Å |
| c | 15.9578 ± 0.0018 Å |
| α | 90° |
| β | 103.623 ± 0.002° |
| γ | 90° |
| Cell volume | 2638.1 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0341 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| 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 | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246410 (current) | 2020-01-01 | cif/ hkl/ Adding structures of 2021939, 2021940 via cif-deposit CGI script. |
2021939.cif 2021939.hkl |
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Users of the data should acknowledge the original authors of the
structural data.