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Information card for entry 8000154
Preview
| Coordinates | 8000154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H56 N2 Zr |
|---|---|
| Calculated formula | C53 H56 N2 Zr |
| SMILES | C1(CN(c2c(cccc2C)C)[Zr](Cc2ccccc2)(Cc2ccccc2)(Cc2ccccc2)[N]=1c1c(cccc1C)C)Cc1ccccc1.c1(ccccc1)C |
| Title of publication | Benzylation of α-Diimine Ligands Bound to Zirconium and Hafnium. A New Convenient Route to Olefin Polymerization Catalysts |
| Authors of publication | Mashima, Kazushi; Ohnishi, Ryuji; Yamagata, Tsuneaki; Tsurugi, Hayato |
| Journal of publication | Chemistry Letters |
| Year of publication | 2007 |
| Journal volume | 36 |
| Journal issue | 12 |
| Pages of publication | 1420 |
| a | 11.0235 ± 0.0007 Å |
| b | 12.4819 ± 0.0008 Å |
| c | 16.7108 ± 0.0012 Å |
| α | 97.217 ± 0.002° |
| β | 97.205 ± 0.002° |
| γ | 108.524 ± 0.002° |
| Cell volume | 2129.2 ± 0.2 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 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 | 0.1098 |
| Residual factor for significantly intense reflections | 0.0681 |
| Weighted residual factors for significantly intense reflections | 0.1412 |
| Weighted residual factors for all reflections included in the refinement | 0.1714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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