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Information card for entry 2021579
Preview
| Coordinates | 2021579.cif |
|---|---|
| Structure factors | 2021579.hkl |
| Original IUCr paper | HTML |
| Common name | [Cd(cptpy)~2~]~n~ |
|---|---|
| Chemical name | Poly[bis[μ~3~-4-(3,2':6',3''-terpyridin-4'-yl)benzoato]cadmium(II)] |
| Formula | C44 H28 Cd N6 O4 |
| Calculated formula | C44 H28 Cd N6 O4 |
| Title of publication | A 4'-(4-carboxyphenyl)-3,2':6',3''-terpyridine-based luminescent cadmium(II) coordination polymer for the detection of 2,4,6-trinitrophenol |
| Authors of publication | Xu, Bin; Luo, Fuming; Tang, Guodong; Zhang, Jinfang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 5 |
| a | 5.01 ± 0.0002 Å |
| b | 9.593 ± 0.0004 Å |
| c | 17.3488 ± 0.0008 Å |
| α | 91.192 ± 0.002° |
| β | 96.049 ± 0.002° |
| γ | 92.858 ± 0.002° |
| Cell volume | 827.84 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0232 |
| Residual factor for significantly intense reflections | 0.0227 |
| Weighted residual factors for significantly intense reflections | 0.0592 |
| Weighted residual factors for all reflections included in the refinement | 0.0596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214565 (current) | 2019-04-09 | cif/ hkl/ Adding structures of 2021579 via cif-deposit CGI script. |
2021579.cif 2021579.hkl |
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Users of the data should acknowledge the original authors of the
structural data.