Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2236276
Preview
| Coordinates | 2236276.cif |
|---|---|
| Structure factors | 2236276.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis{2,4-dibromo-6-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- κ^2^<i>N</i>,<i>O</i>}cobalt(II) |
|---|---|
| Formula | C28 H18 Br4 Co F2 N2 O2 |
| Calculated formula | C28 H18 Br4 Co F2 N2 O2 |
| SMILES | Brc1cc(cc2c1O[Co]1([N](=C2)Cc2ccc(F)cc2)[N](=Cc2cc(cc(c2O1)Br)Br)Cc1ccc(F)cc1)Br |
| Title of publication | Bis{2,4-dibromo-6-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}cobalt(II) |
| Authors of publication | Yu, Hong; Chen, Zhu-Jun; Jin, Yue-Bao; Chang, Yong-Kang; Lei, Ke-Wei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | m1423 |
| a | 14.6921 ± 0.0014 Å |
| b | 9.7598 ± 0.0003 Å |
| c | 13.1195 ± 0.0013 Å |
| α | 90° |
| β | 133.608 ± 0.017° |
| γ | 90° |
| Cell volume | 1362.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0749 |
| Weighted residual factors for all reflections included in the refinement | 0.0787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| 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. |
2236276.cif 2236276.hkl |
| 181284 | 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 2/23/62. |
2236276.cif 2236276.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. |
2236276.cif 2236276.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236276.cif 2236276.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. | 2236276.cif 2236276.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236276.cif 2236276.hkl |
| 69845 | 2012-12-21 | cif/ Adding structures of 2236276 via cif-deposit CGI script. |
2236276.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.