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Information card for entry 2238290
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| Coordinates | 2238290.cif |
|---|---|
| Structure factors | 2238290.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[aquabis(μ-3-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')zinc] |
|---|---|
| Formula | C14 H10 Cl2 O5 Zn |
| Calculated formula | C14 H10 Cl2 O5 Zn |
| SMILES | [Zn]1([OH2])([O]=C(c2cc(Cl)ccc2)O[Zn]([OH2])[O]=C(O1)c1cc(Cl)ccc1)(OC(=O)c1cc(Cl)ccc1)OC(=O)c1cc(Cl)ccc1 |
| Title of publication | <i>catena</i>-Poly[aquabis(μ-3-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')zinc] |
| Authors of publication | Bozkurt, Nihat; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m381 - m382 |
| a | 31.8553 ± 0.0008 Å |
| b | 6.1786 ± 0.0002 Å |
| c | 7.5117 ± 0.0003 Å |
| α | 90° |
| β | 96.554 ± 0.002° |
| γ | 90° |
| Cell volume | 1468.8 ± 0.08 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0276 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/82. |
2238290.cif 2238290.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238290.cif 2238290.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238290.cif 2238290.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238290.cif 2238290.hkl |
| 87553 | 2013-08-27 | cif/ Adding structures of 2238290 via cif-deposit CGI script. |
2238290.cif |
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Users of the data should acknowledge the original authors of the
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