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Information card for entry 7021790
Preview
| Coordinates | 7021790.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H46 Cu2 N6 O8 |
|---|---|
| Calculated formula | C50 H46 Cu2 N6 O8 |
| SMILES | c1(c2ccccc2)cc(c2ccccc2)nn1Cc1[n](cccc1)[Cu]1234[O]=C(C)O[Cu]4([n]4c(Cn5c(cc(c6ccccc6)n5)c5ccccc5)cccc4)([O]=C(O1)C)(OC(=[O]3)C)[O]=C(O2)C |
| Title of publication | Structural and kinetic studies of the polymerization reactions of ε-caprolactone catalyzed by (pyrazol-1-ylmethyl)pyridine Cu(ii) and Zn(ii) complexes. |
| Authors of publication | Ojwach, Stephen O.; Okemwa, Teddy T.; Attandoh, Nelson W.; Omondi, Bernard |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 30 |
| Pages of publication | 10735 - 10745 |
| a | 9.6202 ± 0.0003 Å |
| b | 10.6016 ± 0.0003 Å |
| c | 11.7735 ± 0.0003 Å |
| α | 72.88 ± 0.001° |
| β | 75.393 ± 0.001° |
| γ | 78.193 ± 0.001° |
| Cell volume | 1099.39 ± 0.05 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.026 |
| Residual factor for significantly intense reflections | 0.0243 |
| Weighted residual factors for significantly intense reflections | 0.0667 |
| Weighted residual factors for all reflections included in the refinement | 0.0683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
7021790.cif |
| 179922 | 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 7/02/17. |
7021790.cif |
| 87688 | 2013-08-27 | cif/ Adding structures of 7021789, 7021790 via cif-deposit CGI script. |
7021790.cif |
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