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Information card for entry 2237482
Preview
| Coordinates | 2237482.cif |
|---|---|
| Structure factors | 2237482.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis{2-bromo-4-chloro-6-[(<i>E</i>)-(2,6-dimethylphenyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}cobalt(II) |
|---|---|
| Formula | C30 H24 Br2 Cl2 Co N2 O2 |
| Calculated formula | C30 H24 Br2 Cl2 Co N2 O2 |
| SMILES | [Co]12(Oc3c(cc(Cl)cc3Br)C=[N]1c1c(cccc1C)C)Oc1c(cc(Cl)cc1Br)C=[N]2c1c(cccc1C)C |
| Title of publication | Bis{2-bromo-4-chloro-6-[(<i>E</i>)-(2,6-dimethylphenyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}cobalt(II) |
| Authors of publication | Zhu, Gang; Jiao, Bao-Juan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | m156 |
| a | 11.608 ± 0.002 Å |
| b | 24.157 ± 0.004 Å |
| c | 11.354 ± 0.002 Å |
| α | 90° |
| β | 114.38 ± 0.002° |
| γ | 90° |
| Cell volume | 2899.9 ± 0.9 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.1194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| 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. |
2237482.cif 2237482.hkl |
| 181296 | 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 2/23/74. |
2237482.cif 2237482.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. |
2237482.cif 2237482.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237482.cif 2237482.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237482.cif 2237482.hkl |
| 78774 | 2013-04-02 | cif/ Adding structures of 2237482 via cif-deposit CGI script. |
2237482.cif |
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Users of the data should acknowledge the original authors of the
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