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Information card for entry 4065046
Preview
Coordinates | 4065046.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H38 Cl2 N2 Zr |
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Calculated formula | C31 H38 Cl2 N2 Zr |
SMILES | [Zr]123456(Cl)(Cl)([N](=C(C1C(=[N]4c1ccccc1)C)C)c1c(cccc1C(C)C)C(C)C)[c]1([cH]5[cH]6[cH]2[cH]31)CC=C |
Title of publication | Synthesis and Structure of Bifunctional Zirconocene/Borane Complexes and Their Activation for Ethylene Polymerization |
Authors of publication | Rojas, Rene S.; Peoples, Brian C.; Cabrera, Alan R.; Valderrama, Mauricio; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard; Wiegand, Thomas; Eckert, Hellmut |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 23 |
Pages of publication | 6372 |
a | 10.1817 ± 0.0001 Å |
b | 12.0381 ± 0.0002 Å |
c | 14.034 ± 0.0003 Å |
α | 70.978 ± 0.001° |
β | 86.227 ± 0.001° |
γ | 65.639 ± 0.001° |
Cell volume | 1476.69 ± 0.05 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.0434 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.0995 |
Weighted residual factors for all reflections included in the refinement | 0.1029 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4065046.html
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