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Information card for entry 4070466
Preview
| Coordinates | 4070466.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H29 Cu N2 |
|---|---|
| Calculated formula | C27 H29 Cu N2 |
| SMILES | [Cu]12(N(C(=CC(=[N]1Cc1ccccc1)C)C)Cc1ccccc1)[CH2]=[CH]2c1ccccc1 |
| Title of publication | π Back-Bonding in Dibenzyl-β-diketiminato Copper Olefin Complexes |
| Authors of publication | Oguadinma, Paul O.; Schaper, Frank |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 23 |
| Pages of publication | 6721 |
| a | 24.5143 ± 0.0005 Å |
| b | 5.6449 ± 0.0001 Å |
| c | 15.9542 ± 0.0003 Å |
| α | 90° |
| β | 101.052 ± 0.001° |
| γ | 90° |
| Cell volume | 2166.81 ± 0.07 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0422 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4070466.cif |
| 178593 | 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 4/07/04. |
4070466.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070466.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070466.cif |
| 40730 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070466, 4070467, 4070468, 4070469, 4070470, 4070471 via cif-deposit CGI script. |
4070466.cif |
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Users of the data should acknowledge the original authors of the
structural data.