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Information card for entry 2232118
Preview
| Coordinates | 2232118.cif |
|---|---|
| Structure factors | 2232118.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(4-aminobenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>- (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc |
|---|---|
| Formula | C24 H20 N4 O4 Zn |
| Calculated formula | C24 H20 N4 O4 Zn |
| SMILES | [Zn]12(OC(=O)c4ccc(N)cc4)(OC(=[O]1)c1ccc(N)cc1)[n]1ccccc1c1[n]2cccc1 |
| Title of publication | Bis(4-aminobenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc |
| Authors of publication | Huang, Miao-Ling; Wang, Ling-Ling |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1470 |
| a | 7.9499 ± 0.0014 Å |
| b | 10.7281 ± 0.0019 Å |
| c | 13.905 ± 0.002 Å |
| α | 80.499 ± 0.002° |
| β | 80.921 ± 0.002° |
| γ | 70.538 ± 0.002° |
| Cell volume | 1096.1 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0453 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0844 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| 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. |
2232118.cif 2232118.hkl |
| 181243 | 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 2/23/21. |
2232118.cif 2232118.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. |
2232118.cif 2232118.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232118.cif 2232118.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. | 2232118.cif 2232118.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232118.cif 2232118.hkl |
| 29412 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232118 via cif-deposit CGI script. |
2232118.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.