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Information card for entry 2021728
Preview
| Coordinates | 2021728.cif |
|---|---|
| Structure factors | 2021728.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[tetraaquacadmium(II)]-μ~2~-1,1'-[1,4-phenylenebis(methylene)]bis(3,5-dicarboxylatopyridinium)] 1.66-hydrate] |
|---|---|
| Formula | C22 H25.32 Cd N2 O13.66 |
| Calculated formula | C22 H25.32 Cd N2 O13.66 |
| Title of publication | Effect of pH on the construction of Cd^II^ coordination polymers involving the 1,1'-[1,4-phenylenebis(methylene)]bis(3,5-dicarboxylatopyridinium) ligand |
| Authors of publication | Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 8 |
| a | 10.4471 ± 0.0004 Å |
| b | 10.9855 ± 0.0005 Å |
| c | 11.6347 ± 0.0005 Å |
| α | 83.241 ± 0.001° |
| β | 70.219 ± 0.001° |
| γ | 79.242 ± 0.001° |
| Cell volume | 1232.25 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0338 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217273 (current) | 2019-07-26 | cif/ hkl/ Adding structures of 2021728, 2021729 via cif-deposit CGI script. |
2021728.cif 2021728.hkl |
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Users of the data should acknowledge the original authors of the
structural data.