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Information card for entry 2241910
Preview
| Coordinates | 2241910.cif |
|---|---|
| Structure factors | 2241910.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[dichlorido(μ-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)bis[μ-4'-(pyridin-3-yl)-4,2':6',4''-terpyridine-κ^2^<i>N</i>^1^:<i>N</i>^4'^]dizinc] |
|---|---|
| Formula | C25 H16 Cl N4 O4 Zn |
| Calculated formula | C25 H16 Cl N4 O4 Zn |
| SMILES | [Zn]1(Cl)([n]2cccc(c2)c2cc(c3ccncc3)nc(c2)c2ccncc2)OC(=O)c2cc(C(=O)O)c(C(=O)O[Zn](Cl)[n]3cccc(c3)c3cc(c4cc[n](cc4)[Zn](Cl)([n]4cccc(c4)c4cc(c5ccncc5)nc(c4)c4ccncc4)OC(=O)c4c(cc(C(=O)O[Zn](Cl)[n]5cccc(c5)c5cc(c6cc[n]1cc6)nc(c5)c1ccncc1)c(c4)C(=O)O)C(=O)O)nc(c3)c1ccncc1)cc2C(=O)O |
| Title of publication | Crystal structure of poly[dichlorido(μ-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)bis[μ-4'-(pyridin-3-yl)-4,2':6',4''-terpyridine-κ^2^<i>N</i>^1^:<i>N</i>^4'^]dizinc] |
| Authors of publication | Tian, Yue; Xu, Sha-Sha; Su, Jian; Zhang, Yang; Zhao, Shao-Shuai; Tian, Yu-Peng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 11 |
| Pages of publication | 1663 - 1665 |
| a | 8.6557 ± 0.0006 Å |
| b | 12.1432 ± 0.0008 Å |
| c | 12.5842 ± 0.0009 Å |
| α | 61.396 ± 0.001° |
| β | 74.216 ± 0.001° |
| γ | 75.411 ± 0.001° |
| Cell volume | 1105.83 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0336 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0797 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187660 (current) | 2016-10-29 | cif/ hkl/ Adding structures of 2241910 via cif-deposit CGI script. |
2241910.cif 2241910.hkl |
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