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Information card for entry 7022148
Preview
| Coordinates | 7022148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H37 Cl2 Co N2 O4 |
|---|---|
| Calculated formula | C29 H37 Cl2 Co N2 O4 |
| SMILES | [Co]1234([N](=C(c5c(O2)c(cc(c5)C)C)C)[C@H]2CCCC[C@@H]2[N]1=C(C)c1cc(cc(c1O3)C)C)[O]=C(O4)C.C(Cl)Cl.[Co]1234([N](=C(c5c(O2)c(cc(c5)C)C)C)[C@@H]2CCCC[C@H]2[N]1=C(C)c1cc(cc(c1O3)C)C)[O]=C(O4)C.C(Cl)Cl |
| Title of publication | CO2/ethylene oxide copolymerization and ligand variation for a highly active salen-cobalt(III) complex tethering 4 quaternary ammonium salts. |
| Authors of publication | Jeon, Jong Yeob; Lee, Jung Jae; Varghese, Jobi Kodiyan; Na, Sung Jae; Sujith, S.; Go, Min Jeong; Lee, Junseong; Ok, Myung-Ahn; Lee, Bun Yeoul |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 25 |
| Pages of publication | 9245 - 9254 |
| a | 10.053 ± 0.0003 Å |
| b | 11.5924 ± 0.0003 Å |
| c | 12.9469 ± 0.0004 Å |
| α | 111.821 ± 0.001° |
| β | 94.24 ± 0.001° |
| γ | 101.03 ± 0.001° |
| Cell volume | 1357.3 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.031 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.0804 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7022148.cif |
| 179926 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/21. |
7022148.cif |
| 89990 | 2013-11-17 | cif/ Adding structures of 7022148, 7022149, 7022150 via cif-deposit CGI script. |
7022148.cif |
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