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Information card for entry 2235908
Preview
| Coordinates | 2235908.cif |
|---|---|
| Structure factors | 2235908.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Tris[2,4-dichloro-6-(ethyliminomethyl)phenolato- κ^2^<i>N</i>,<i>O</i>]cobalt(III) |
|---|---|
| Formula | C27 H24 Cl6 Co N3 O3 |
| Calculated formula | C27 H24 Cl6 Co N3 O3 |
| SMILES | c12c(cc(cc1C=[N](CC)[Co]13([N](=Cc4c(c(cc(c4)Cl)Cl)O1)CC)([N](=Cc1c(c(cc(c1)Cl)Cl)O3)CC)O2)Cl)Cl |
| Title of publication | Tris[2,4-dichloro-6-(ethyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(III) |
| Authors of publication | Huang, Qiu Ping; Guo, Jing Jing; Zhang, Yi Dong; Zhang, Shu Hua |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1047 |
| a | 13.7293 ± 0.0012 Å |
| b | 45.892 ± 0.004 Å |
| c | 14.8108 ± 0.0013 Å |
| α | 90° |
| β | 92.828 ± 0.001° |
| γ | 90° |
| Cell volume | 9320.4 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1179 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.1432 |
| Weighted residual factors for all reflections included in the refinement | 0.1711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| 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. |
2235908.cif 2235908.hkl |
| 181281 | 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 2/23/59. |
2235908.cif 2235908.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. |
2235908.cif 2235908.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235908.cif 2235908.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. | 2235908.cif 2235908.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235908.cif 2235908.hkl |
| 65989 | 2012-09-06 | cif/ Adding structures of 2235908 via cif-deposit CGI script. |
2235908.cif |
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Users of the data should acknowledge the original authors of the
structural data.