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Information card for entry 4064548
Preview
Coordinates | 4064548.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H44 N2 Zr |
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Calculated formula | C39 H44 N2 Zr |
SMILES | [Zr]12([n]3c(cccc3C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1C(C)C)c1c3ccccc3ccc21)(C)C |
Title of publication | Pyridylamido Hafnium and Zirconium Complexes: Synthesis, Dynamic Behavior, and Ethylene/1-Octene and Propylene Polymerization Reactions |
Authors of publication | Frazier, Kevin A.; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Vosejpka, Paul C.; Zhou, Zhe; Abboud, Khalil A. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 12 |
Pages of publication | 3318 |
a | 41.407 ± 0.002 Å |
b | 9.6765 ± 0.0006 Å |
c | 17.225 ± 0.001 Å |
α | 90° |
β | 106.067 ± 0.001° |
γ | 90° |
Cell volume | 6632 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0657 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0854 |
Weighted residual factors for all reflections included in the refinement | 0.0932 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.924 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoK\α |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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