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Information card for entry 2233882
Preview
| Coordinates | 2233882.cif |
|---|---|
| Structure factors | 2233882.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(4-chlorobenzoato- κ<i>O</i>)zinc(II) |
|---|---|
| Formula | C24 H16 Cl2 N2 O4 Zn |
| Calculated formula | C24 H16 Cl2 N2 O4 Zn |
| SMILES | O=C(O[Zn]1([n]2ccccc2c2cccc[n]12)OC(=O)c1ccc(cc1)Cl)c1ccc(cc1)Cl |
| Title of publication | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(4-chlorobenzoato-κ<i>O</i>)zinc |
| Authors of publication | Zhang, Bi-Song; Zhu, Hong-Line; Li, Jun; Dai, Dong-Dong; Peng, Yi-Bao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m321 - m322 |
| a | 11.453 ± 0.002 Å |
| b | 8.4896 ± 0.0017 Å |
| c | 12.337 ± 0.003 Å |
| α | 90° |
| β | 107.12 ± 0.03° |
| γ | 90° |
| Cell volume | 1146.4 ± 0.5 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0609 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.1214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2233882.cif 2233882.hkl |
| 181260 | 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. |
2233882.cif 2233882.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. |
2233882.cif 2233882.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233882.cif 2233882.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. | 2233882.cif 2233882.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233882.cif 2233882.hkl |
| 51134 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233882 via cif-deposit CGI script. |
2233882.cif |
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Users of the data should acknowledge the original authors of the
structural data.