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Information card for entry 4078309
Preview
| Coordinates | 4078309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (CF3)FI-Ni |
|---|---|
| Chemical name | [2-tert-butyl-6-((2,6-(3,5-bistrifluoromethyl-phenyl)phenylimino) methyl)phenolato]-Ni(II)-methyl-(trimethylphosphine) |
| Formula | C37 H34 F12 N Ni O P |
| Calculated formula | C37 H34 F12 N Ni O P |
| SMILES | C[Ni]1(Oc2c(cccc2C=[N]1c1c(cccc1c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)(C)C)[P](C)(C)C |
| Title of publication | Suppression of β-Hydride Chain Transfer in Nickel(II)-Catalyzed Ethylene Polymerization via Weak Fluorocarbon Ligand‒Product Interactions |
| Authors of publication | Weberski, Michael P.; Chen, Changle; Delferro, Massimiliano; Zuccaccia, Cristiano; Macchioni, Alceo; Marks, Tobin J. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 9 |
| Pages of publication | 3773 |
| a | 10.9329 ± 0.0004 Å |
| b | 12.1376 ± 0.0004 Å |
| c | 14.7338 ± 0.0005 Å |
| α | 78.801 ± 0.002° |
| β | 82.497 ± 0.002° |
| γ | 69.455 ± 0.001° |
| Cell volume | 1791.8 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0728 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178672 (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 4/07/83. |
4078309.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078309.cif |
| 59891 | 2012-06-14 | cif/ Adding structures of 4078309, 4078310, 4078311, 4078312, 4078313 via cif-deposit CGI script. |
4078309.cif |
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