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Information card for entry 2020398
Preview
| Coordinates | 2020398.cif |
|---|---|
| Structure factors | 2020398.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaqua[μ~4~-4,4'-(1,4-phenylenedioxy)bis(benzene-1,2-dicarboxylato)]bis(2,2'-bipyridine)dizinc(II)] monohydrate] |
|---|---|
| Formula | C42 H34 N4 O14 Zn2 |
| Calculated formula | C42 H34 N4 O14 Zn2 |
| SMILES | [Zn]12([OH2])([n]3ccccc3c3[n]2cccc3)OC(=O)c2c(cc(cc2)Oc2ccc(cc2)Oc2cc(C(=O)[O-])c(C(=O)[O-])cc2)C(=O)O[Zn]2([OH2])([n]3c(c4[n]2cccc4)cccc3)OC(=O)c2c(C(=O)O1)cc(cc2)Oc1ccc(cc1)Oc1cc(c(cc1)C(=O)O[Zn]1([OH2])[n]2c(c3[n]1cccc3)cccc2)C(=O)O[Zn]1([OH2])[n]2c(c3[n]1cccc3)cccc2.O.O.O.O |
| Title of publication | Assembly of Zn^II^ and Cd^II^ coordination polymers based on a flexible multicarboxylate ligand and nitrogen-containing auxiliary ligands through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties |
| Authors of publication | Lu, Ji-Tao; Meng, Dan-Dan; Meng, Qing-Guo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 2 |
| Pages of publication | 99 - 104 |
| a | 9.5585 ± 0.0005 Å |
| b | 10.0434 ± 0.0004 Å |
| c | 10.6027 ± 0.0005 Å |
| α | 92.365 ± 0.004° |
| β | 94.032 ± 0.004° |
| γ | 103.509 ± 0.004° |
| Cell volume | 985.5 ± 0.08 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 | 0.0471 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71065 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181873 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/03 |
2020398.cif 2020398.hkl |
| 177477 | 2016-03-04 | cif/ Updating files of 2020398, 2020399 Original log message: Adding full bibliography for 2020398--2020399.cif. |
2020398.cif 2020398.hkl |
| 174513 | 2016-01-16 | cif/ hkl/ Adding structures of 2020398, 2020399 via cif-deposit CGI script. |
2020398.cif 2020398.hkl |
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