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Information card for entry 2233823
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| Coordinates | 2233823.cif |
|---|---|
| Structure factors | 2233823.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[(diaquacadmium)- μ-4,4'-[sulfonylbis(1,4-phenyleneoxy)]diacetato- κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] |
|---|---|
| Formula | C16 H16 Cd O10 S |
| Calculated formula | C16 H16 Cd O10 S |
| SMILES | [Cd]12([OH2])([OH2])([O]=C(O1)COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OCC1=[O][Cd](O1)([OH2])[OH2])[O]=C(O2)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 |
| Title of publication | <i>catena</i>-Poly[(diaquacadmium)-μ-4,4'-[sulfonylbis(1,4-phenyleneoxy)]diacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] |
| Authors of publication | Ma, Zhan-Ling |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m267 |
| a | 11.9274 ± 0.0011 Å |
| b | 5.3995 ± 0.0005 Å |
| c | 14.8194 ± 0.0014 Å |
| α | 90° |
| β | 111.692 ± 0.001° |
| γ | 90° |
| Cell volume | 886.81 ± 0.14 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0207 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for significantly intense reflections | 0.0436 |
| Weighted residual factors for all reflections included in the refinement | 0.0439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181260 (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 2/23/38. |
2233823.cif 2233823.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. |
2233823.cif 2233823.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233823.cif 2233823.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. | 2233823.cif 2233823.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233823.cif 2233823.hkl |
| 51075 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233823 via cif-deposit CGI script. |
2233823.cif |
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Users of the data should acknowledge the original authors of the
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