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Information card for entry 4076390
Preview
Coordinates | 4076390.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19.5 H33 Cl2 O2.5 Si4 Zr |
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Calculated formula | C18 H30 Cl2 O2 Si4 Zr |
SMILES | [Zr]123456789(Cl)(Cl)[c]%10%11[cH]4[c]3([Si](O[Si]([c]36[cH]5[c]9([Si](O[Si]%10(C)C)(C)C)[cH]8[cH]73)(C)C)(C)C)[cH]2[cH]1%11 |
Title of publication | 1,3-Double Siloxo-Bridged Zirconium Metallocene for Propene and 1-Hexene Regioselective Oligomerization |
Authors of publication | Londaitsbehere, Addis; Cuenca, Tomás; Mosquera, Marta E.G.; Cano, Jesús; Milione, Stefano; Grassi, Alfonso |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 5 |
Pages of publication | 2108 |
a | 13.4 ± 0.003 Å |
b | 15.493 ± 0.002 Å |
c | 14.738 ± 0.002 Å |
α | 90° |
β | 110.416 ± 0.012° |
γ | 90° |
Cell volume | 2867.5 ± 0.9 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1293 |
Residual factor for significantly intense reflections | 0.0608 |
Weighted residual factors for significantly intense reflections | 0.1415 |
Weighted residual factors for all reflections included in the refinement | 0.1613 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4076390.html
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Users of the data should acknowledge the original authors of the
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