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Information card for entry 4073180
Preview
| Coordinates | 4073180.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H43 Cl Cr N3 |
|---|---|
| Calculated formula | C33 H43 Cl Cr N3 |
| SMILES | [Cr]12(Cl)[N](=C(c3[n]1c(C(=[N]2c1c(cccc1C(C)C)C(C)C)C)ccc3)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Reactivity of Chromium Complexes of a Bis(imino)pyridine Ligand: Highly Active Ethylene Polymerization Catalysts Carrying the Metal in a Formally Low Oxidation State |
| Authors of publication | Vidyaratne, Indu; Scott, Jennifer; Gambarotta, Sandro; Duchateau, Robbert |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 13 |
| Pages of publication | 3201 |
| a | 8.528 ± 0.019 Å |
| b | 8.731 ± 0.019 Å |
| c | 23.05 ± 0.05 Å |
| α | 95.08 ± 0.04° |
| β | 95.4 ± 0.04° |
| γ | 109.66 ± 0.03° |
| Cell volume | 1596 ± 6 Å3 |
| Cell temperature | 210 ± 2 K |
| Ambient diffraction temperature | 210 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0697 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1557 |
| Weighted residual factors for all reflections included in the refinement | 0.1617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178620 (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 4/07/31. |
4073180.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073180.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073180.cif |
| 46206 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073178, 4073179, 4073180, 4073181, 4073182, 4073183, 4073184 via cif-deposit CGI script. |
4073180.cif |
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Users of the data should acknowledge the original authors of the
structural data.