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Information card for entry 2020479
Preview
| Coordinates | 2020479.cif |
|---|---|
| Structure factors | 2020479.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[aqua{4-[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)phenyl]pyridine}cadmium(II)]-μ-5-hydroxybenzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^] monohydrate] |
|---|---|
| Formula | C36 H30 Cd N6 O7 |
| Calculated formula | C36 H30 Cd N6 O7 |
| SMILES | [Cd]1([OH2])([n]2ccn(c2)c2ccc(c3ccncc3)cc2)([n]2ccn(c2)c2ccc(c3ccncc3)cc2)[O]=C(O1)c1cc(O)cc(c1)C(=O)O[Cd]1([OH2])([n]2ccn(c2)c2ccc(c3ccncc3)cc2)([n]2ccn(c2)c2ccc(c3ccncc3)cc2)[O]=C(O1)c1cc(O)cc(c1)C(=O)[O-].O.O |
| Title of publication | A new one-dimensional cadmium(II) coordination polymer incorporating 4-[4-(1<i>H</i>-imidazol-1-yl)phenyl]pyridine and 5-hydroxybenzene-1,3-dicarboxylate ligands |
| Authors of publication | Zhang, Zhi-Liang; Liu, Jia-Cheng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 5 |
| Pages of publication | 389 - 392 |
| a | 9.9863 ± 0.0004 Å |
| b | 10.3722 ± 0.0005 Å |
| c | 15.7502 ± 0.0007 Å |
| α | 91.755 ± 0.004° |
| β | 99.029 ± 0.005° |
| γ | 95.042 ± 0.003° |
| Cell volume | 1603.32 ± 0.13 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 | 0.033 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0689 |
| Weighted residual factors for all reflections included in the refinement | 0.0711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183638 (current) | 2016-06-17 | cif/ Updating files of 2020479 Original log message: Adding full bibliography for 2020479.cif. |
2020479.cif 2020479.hkl |
| 181970 | 2016-04-08 | cif/ hkl/ Adding structures of 2020479 via cif-deposit CGI script. |
2020479.cif 2020479.hkl |
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