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Information card for entry 2019250
Preview
| Coordinates | 2019250.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Poly[[μ~6~-2-(4-{1-[4-(carboxymethoxy)phenyl]-1-methylethyl}phenoxy)acetato][μ~4~-2-(4-{1-[4-(carboxymethoxy)phenyl]-1-methylethyl}phenoxy)acetato]disodium(I)] |
|---|---|
| Formula | C19 H19 Na O6 |
| Calculated formula | C19 H19 Na O6 |
| SMILES | [Na+].O(c1ccc(cc1)C(C)(C)c1ccc(OCC(=O)[O-])cc1)CC(=O)O |
| Title of publication | Two sodium(I) coordination polymers constructed by the V-shaped ligands 2,2'-[isopropylidenebis(1,4-phenyleneoxy)]diacetic acid and 2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetic acid |
| Authors of publication | Huang, Qiu-Ying; Liu, Chun-Li; Zhou, Zi-Peng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 11 |
| Pages of publication | 1322 - 1327 |
| a | 5.7235 ± 0.0011 Å |
| b | 27.444 ± 0.006 Å |
| c | 21.287 ± 0.004 Å |
| α | 90° |
| β | 95.6 ± 0.03° |
| γ | 90° |
| Cell volume | 3327.7 ± 1.2 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0935 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1112 |
| Weighted residual factors for all reflections included in the refinement | 0.1345 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183154 (current) | 2016-05-30 | cif/2 Fixing a few Z values and formulae |
2019250.cif |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019250.cif |
| 91184 | 2013-12-09 | cif/ Adding structures of 2019250, 2019251 via cif-deposit CGI script. |
2019250.cif |
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Users of the data should acknowledge the original authors of the
structural data.