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Information card for entry 4072115
Preview
| Coordinates | 4072115.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,3-(DIPP-nacnac-ZnEt)2-pyridine |
|---|---|
| Formula | C43 H61 N5 Zn2 |
| Calculated formula | C43 H61 N5 Zn2 |
| SMILES | [Zn]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1nc([N]2=C(C)C=C(N([Zn]2CC)c2c(cccc2C(C)C)C(C)C)C)ccc1)CC |
| 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 | 11.6831 ± 0.0004 Å |
| b | 14.2544 ± 0.0005 Å |
| c | 14.5619 ± 0.0005 Å |
| α | 67.162 ± 0.002° |
| β | 79.572 ± 0.002° |
| γ | 70.257 ± 0.002° |
| Cell volume | 2100.1 ± 0.13 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0818 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178610 (current) | 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. |
4072115.cif |
| 132589 | 2015-03-02 | cif/ (antanas@koala.ibt.lt) Multiple CIFs contained incorrect '_refined_diff_density_rms' tag values, consisting of the actual numerical values and a trailing substrings that were accidentaly concatinated to the end of the values. The values were malformed upon deposition due to incorrect comment markup (comments were not prefixed with a '#' symbol). The folllowing command was carried to remove the trailing substrings: find . -name *.cif | xargs perl -0777 -i -pe "s/_refine_diff_density_rms\s*\'(\d*\.\d*)\s.*/_refine_diff_density_rms \1/" After the modifications 'cif_filter' script was used on all affected CIFs and changed values were inspected manually to avoid introduction of new errors (the trailling string might not be an artifact, but a misplaced e.s.d. value or a measurement unit symbol that implies the need of numerical value conversion). |
4072115.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072115.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072115.cif |
| 44245 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072111, 4072112, 4072113, 4072114, 4072115, 4072116 via cif-deposit CGI script. |
4072115.cif |
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Users of the data should acknowledge the original authors of the
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