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Information card for entry 2233660
Preview
| Coordinates | 2233660.cif |
|---|---|
| Structure factors | 2233660.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]- μ-2,2'-[1,4-phenylenebis(sulfanediyl)]diacetato-κ^2^<i>O</i>:<i>O</i>'] |
|---|---|
| Formula | C20 H20 N2 O6 S2 Zn |
| Calculated formula | C20 H20 N2 O6 S2 Zn |
| SMILES | [Zn]1([OH2])([OH2])([n]2ccccc2c2[n]1cccc2)(OC(=O)CSc1ccc(cc1)SCC(=O)O[Zn]1([OH2])([OH2])[n]2ccccc2c2[n]1cccc2)OC(=O)CSc1ccc(cc1)SCC(=O)[O-] |
| Title of publication | <i>catena</i>-Poly[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-2,2'-[1,4-phenylenebis(sulfanediyl)]diacetato-κ^2^<i>O</i>:<i>O</i>'] |
| Authors of publication | Lin, Hong; Wang, Xiao-Juan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m105 |
| a | 20.4396 ± 0.0008 Å |
| b | 12.8695 ± 0.0008 Å |
| c | 7.9798 ± 0.0004 Å |
| α | 90° |
| β | 90.765 ± 0.003° |
| γ | 90° |
| Cell volume | 2098.88 ± 0.19 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0675 |
| Weighted residual factors for all reflections included in the refinement | 0.0698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181258 (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 2/23/36. |
2233660.cif 2233660.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. |
2233660.cif 2233660.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233660.cif 2233660.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. | 2233660.cif 2233660.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233660.cif 2233660.hkl |
| 38473 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233660 via cif-deposit CGI script. |
2233660.cif |
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Users of the data should acknowledge the original authors of the
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