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Information card for entry 2020402
Preview
| Coordinates | 2020402.cif |
|---|---|
| Structure factors | 2020402.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>catena</i>-Poly[aqua(μ~3~-benzene-1,4-dicarboxylato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'')bis(pyridine-κ<i>N</i>)cobalt(II)] |
|---|---|
| Formula | C18 H16 Co N2 O5 |
| Calculated formula | C18 H16 Co N2 O5 |
| SMILES | [Co]1([OH2])([n]2ccccc2)([n]2ccccc2)([O]=C(c2ccc(cc2)C(=O)O2)O[Co]([OH2])([n]3ccccc3)([n]3ccccc3)[O]=C(O1)c1ccc(cc1)C(=O)[O-])OC(=O)c1ccc(cc1)C(O[Co]1([OH2])([n]3ccccc3)[n]3ccccc3)=[O][Co]2([OH2])([n]2ccccc2)([n]2ccccc2)OC(=[O]1)c1ccc(cc1)C(=O)[O-] |
| Title of publication | Two-dimensional Zn^II^ and one-dimensional Co^II^ coordination polymers based on benzene-1,4-dicarboxylate and pyridine ligands |
| Authors of publication | Zhou, Li-Juan; Han, Chang-Bao; Wang, Yu-Ling |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 2 |
| Pages of publication | 133 - 138 |
| a | 20.8487 ± 0.0011 Å |
| b | 8.9363 ± 0.0005 Å |
| c | 20.736 ± 0.0011 Å |
| α | 90° |
| β | 117.032 ± 0.001° |
| γ | 90° |
| Cell volume | 3441.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.034 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0681 |
| Weighted residual factors for all reflections included in the refinement | 0.072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181874 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/04 |
2020402.cif 2020402.hkl |
| 177474 | 2016-03-04 | cif/ Updating files of 2020401, 2020402 Original log message: Adding full bibliography for 2020401--2020402.cif. |
2020402.cif 2020402.hkl |
| 174589 | 2016-01-20 | cif/ hkl/ Adding structures of 2020401, 2020402 via cif-deposit CGI script. |
2020402.cif 2020402.hkl |
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