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Information card for entry 2226076
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| Coordinates | 2226076.cif |
|---|---|
| Structure factors | 2226076.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[zinc(II)-bis[μ-2-(2,4-dichlorophenoxy)acetato]] |
|---|---|
| Formula | C16 H10 Cl4 O6 Zn |
| Calculated formula | C16 H10 Cl4 O6 Zn |
| SMILES | [Zn]12([O]=C(COc3c(Cl)cc(Cl)cc3)O[Zn]([O]=C(COc3c(Cl)cc(Cl)cc3)O1)[O]=C(COc1c(cc(cc1)Cl)Cl)O[Zn]1([O]=C(O[Zn]([O]=C(COc3c(cc(cc3)Cl)Cl)O2)[O]=C(O1)COc1c(Cl)cc(Cl)cc1)COc1c(Cl)cc(Cl)cc1)OC(=O)COc1c(cc(cc1)Cl)Cl)OC(=O)COc1c(cc(cc1)Cl)Cl |
| Title of publication | <i>catena</i>-Poly[zinc(II)-bis[μ-2-(2,4-dichlorophenoxy)acetato]] |
| Authors of publication | Liu, Shi-Zhu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 6 |
| Pages of publication | m621 |
| a | 4.7322 ± 0.001 Å |
| b | 10.459 ± 0.002 Å |
| c | 18.979 ± 0.004 Å |
| α | 79.34 ± 0.002° |
| β | 89.838 ± 0.002° |
| γ | 82.847 ± 0.003° |
| Cell volume | 915.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0351 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181181 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/60. |
2226076.cif 2226076.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2226076.cif 2226076.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226076.cif 2226076.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2226076.cif 2226076.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226076.cif 2226076.hkl |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2226076.cif 2226076.hkl |
| 1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2226076.cif 2226076.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2226076.cif |
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Users of the data should acknowledge the original authors of the
structural data.