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Information card for entry 4121789
Preview
Coordinates | 4121789.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H26 Br2 F6 N2 Ni |
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Calculated formula | C46 H26 Br2 F6 N2 Ni |
SMILES | Br[Ni]1([N](c2cccc3cccc(c23)c2ccc(cc2)C(F)(F)F)=C2C(=[N]1c1cccc3cccc(c13)c1ccc(cc1)C(F)(F)F)c1c3c2cccc3ccc1)Br |
Title of publication | Secondary Alkene Insertion and Precision Chain-Walking: A New Route to Semicrystalline "Polyethylene" from α-Olefins by Combining Two Rare Catalytic Events. |
Authors of publication | Vaidya, Tulaza; Klimovica, Kristine; LaPointe, Anne M.; Keresztes, Ivan; Lobkovsky, Emil B.; Daugulis, Olafs; Coates, Geoffrey W. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 20 |
Pages of publication | 7213 - 7216 |
a | 10.3696 ± 0.0006 Å |
b | 15.7167 ± 0.0007 Å |
c | 23.6257 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3850.4 ± 0.3 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0795 |
Residual factor for significantly intense reflections | 0.0625 |
Weighted residual factors for significantly intense reflections | 0.1704 |
Weighted residual factors for all reflections included in the refinement | 0.1835 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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