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Information card for entry 4067079
Preview
| Coordinates | 4067079.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | DIP cobalt(I) 4-methylphenyl complex |
|---|---|
| Chemical name | (2.6-di-{1-(2,6-dimethylphenyl)ethyliminyl}pyriidine cobalt(I) 4-methylphenyl complex |
| Formula | C32 H34 Co N3 |
| Calculated formula | C32 H34 Co N3 |
| SMILES | [Co]12([n]3c(C(=[N]1c1c(cccc1C)C)C)cccc3C(=[N]2c1c(cccc1C)C)C)c1ccc(cc1)C |
| Title of publication | Binuclear Oxidative Addition of Aryl Halides |
| Authors of publication | Zhu, Di; Budzelaar, Peter H. M. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 22 |
| Pages of publication | 5759 |
| a | 8.3015 ± 0.0004 Å |
| b | 10.6604 ± 0.0006 Å |
| c | 15.9805 ± 0.0009 Å |
| α | 91.7982 ± 0.001° |
| β | 93.3207 ± 0.0014° |
| γ | 103.782 ± 0.0014° |
| Cell volume | 1369.72 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0738 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1342 |
| Weighted residual factors for all reflections included in the refinement | 0.1456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178505 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/70. |
4067079.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067079.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067079.cif |
| 34075 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067079 via cif-deposit CGI script. |
4067079.cif |
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Users of the data should acknowledge the original authors of the
structural data.