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Information card for entry 4072116
Preview
| Coordinates | 4072116.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | PYR-(nacnac)[Zn(O2SEt)]2 |
|---|---|
| Formula | C43 H61 N5 O4 S2 Zn2 |
| Calculated formula | C43 H61 N5 O4 S2 Zn2 |
| Title of publication | Bimetallic Calcium and Zinc Complexes with Bridged β-Diketiminate Ligands: Investigations on Epoxide/CO2Copolymerization |
| Authors of publication | Piesik, Dirk F.-J.; Range, Sven; Harder, Sjoerd |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 23 |
| Pages of publication | 6178 |
| a | 11.2229 ± 0.0003 Å |
| b | 28.1674 ± 0.0008 Å |
| c | 15.3663 ± 0.0004 Å |
| α | 90° |
| β | 108.547 ± 0.002° |
| γ | 90° |
| Cell volume | 4605.3 ± 0.2 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 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 | 0.0727 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4072116.cif |
| 178610 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/21. |
4072116.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072116.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072116.cif |
| 44245 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072111, 4072112, 4072113, 4072114, 4072115, 4072116 via cif-deposit CGI script. |
4072116.cif |
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Users of the data should acknowledge the original authors of the
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