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Information card for entry 7036063
Preview
| Coordinates | 7036063.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H20 Cl2 Cr N5 |
|---|---|
| Calculated formula | C17 H20 Cl2 Cr N5 |
| SMILES | [Cr]12(Cl)(Cl)([N]#CC)n3cccc3C=[N]1CC[NH]2c1ccccc1.N#CC |
| Title of publication | Ethylene oligomerization promoted by chromium complexes bearing pyrrolide-imine-amine/ether tridentate ligands. |
| Authors of publication | Pinheiro, A. C.; Roisnel, T.; Kirillov, E.; Carpentier, J.-F.; Casagrande, Osvaldo L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 36 |
| Pages of publication | 16073 - 16080 |
| a | 11.3556 ± 0.0002 Å |
| b | 11.7592 ± 0.0002 Å |
| c | 14.6216 ± 0.0003 Å |
| α | 90° |
| β | 96.896 ± 0.001° |
| γ | 90° |
| Cell volume | 1938.34 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0341 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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 |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036063.cif |
| 161398 | 2015-10-09 | cif/ Updating files of 7036063, 7036064 Original log message: Adding full bibliography for 7036063--7036064.cif. |
7036063.cif |
| 152768 | 2015-08-05 | cif/ Adding structures of 7036063, 7036064 via cif-deposit CGI script. |
7036063.cif |
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Users of the data should acknowledge the original authors of the
structural data.