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Information card for entry 2021644
Preview
| Coordinates | 2021644.cif |
|---|---|
| Structure factors | 2021644.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[hemi-μ-aqua-aqua(μ~3~-4,4'-{9,9'-spirobi[10<i>H</i>-\ acridine]-10,10'-diyl}dibenzoato)cadmium(II)] |
|---|---|
| Formula | C39 H27 Cd N2 O5.5 |
| Calculated formula | C39 H27 Cd N2 O5.5 |
| Title of publication | Thermally activated delayed fluorescent (TADF) coordination polymer with the generation of singlet oxygen |
| Authors of publication | Ren, Xiu-Hui; Li, Gang-Yuan; Du, Hua; Ma, Jian-Ping; Geng, Yan; Dong, Yu-bin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| a | 27.4361 ± 0.0019 Å |
| b | 9.0861 ± 0.0009 Å |
| c | 40.473 ± 0.002 Å |
| α | 90° |
| β | 108.581 ± 0.007° |
| γ | 90° |
| Cell volume | 9563.5 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0855 |
| Residual factor for significantly intense reflections | 0.0671 |
| Weighted residual factors for significantly intense reflections | 0.198 |
| Weighted residual factors for all reflections included in the refinement | 0.2269 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215468 (current) | 2019-05-24 | cif/ hkl/ Adding structures of 2021644, 2021645 via cif-deposit CGI script. |
2021644.cif 2021644.hkl |
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Users of the data should acknowledge the original authors of the
structural data.