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Information card for entry 2021691
Preview
| Coordinates | 2021691.cif |
|---|---|
| Structure factors | 2021691.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[hexathiocyanatotetrakis{μ~3~-2,4,6-trimethyl-1,3,5-tris[(triazol-1-yl)methyl]benzene}trizinc(II)] 3.5-hydrate] |
|---|---|
| Formula | C156 H182 N84 O7 S12 Zn6 |
| Calculated formula | C78 H91 N42 O3.5 S6 Zn3 |
| Title of publication | Synthesis, crystal structure and biological properties of Cd and Zn coordination polymers based on a flexible tripodal ligand |
| Authors of publication | Wang, Xia; Ling, Ning; Li, Hanbing; Xiao, Xiaohe; Zhang, Yawen |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 7 |
| a | 23.8845 ± 0.0004 Å |
| b | 16.222 ± 0.0003 Å |
| c | 23.6679 ± 0.0004 Å |
| α | 90° |
| β | 90.502 ± 0.001° |
| γ | 90° |
| Cell volume | 9169.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0582 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1452 |
| Weighted residual factors for all reflections included in the refinement | 0.1516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216610 (current) | 2019-06-28 | cif/ hkl/ Adding structures of 2021690, 2021691 via cif-deposit CGI script. |
2021691.cif 2021691.hkl |
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