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Information card for entry 4068725
Preview
Coordinates | 4068725.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H66 I2 N2 O4 Zr |
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Calculated formula | C42 H66 I2 N2 O4 Zr |
SMILES | [Zr]123([N](Cc4c(O2)c(cc(c4)I)I)(C)CC[N]1(C)Cc1cc(cc(c1O3)C12CC3CC(C2)CC(C1)C3)C)(OC(C)(C)C)OC(C)(C)C.CCCCC |
Title of publication | C1-Symmetric Zirconium Complexes of [ONNO′]-Type Salan Ligands: Accurate Control of Catalyst Activity, Isospecificity, and Molecular Weight in 1-Hexene Polymerization |
Authors of publication | Cohen, Ad; Kopilov, Jacob; Goldberg, Israel; Kol, Moshe |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 5 |
Pages of publication | 1391 |
a | 9.5665 ± 0.0002 Å |
b | 15.7916 ± 0.0004 Å |
c | 15.9554 ± 0.0004 Å |
α | 67.0704 ± 0.0013° |
β | 88.0187 ± 0.0013° |
γ | 85.9798 ± 0.0009° |
Cell volume | 2214.4 ± 0.09 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0737 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1242 |
Weighted residual factors for all reflections included in the refinement | 0.1391 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/4068725.html
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Users of the data should acknowledge the original authors of the
structural data.