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Information card for entry 4089669
Preview
Coordinates | 4089669.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H100 N2 O6 Zr2 |
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Calculated formula | C84 H100 N2 O6 Zr2 |
SMILES | [Zr]123(Oc4c(cc(cc4C[N]3(Cc3c(O1)c(cc(c3)C(C)(C)C)c1c(c(c(c(c1C)C)c1c3O[Zr]45(Oc6c(cc(cc6C[N]4(Cc3cc(c1)C(C)(C)C)CC[O]5C)C)C)(Cc1ccccc1)Cc1ccccc1)C)C)CC[O]2C)C)C)(Cc1ccccc1)Cc1ccccc1 |
Title of publication | Bimetallic Zirconium Amine Bis(phenolate) Polymerization Catalysts: Enhanced Activity and Tacticity Control for Polyolefin Synthesis. |
Authors of publication | Radlauer, Madalyn R.; Agapie, Theodor |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 13 |
Pages of publication | 3247 - 3250 |
a | 9.6061 ± 0.0004 Å |
b | 29.2804 ± 0.0013 Å |
c | 17.7516 ± 0.0008 Å |
α | 90° |
β | 105.509 ± 0.0017° |
γ | 90° |
Cell volume | 4811.2 ± 0.4 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0823 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.0879 |
Weighted residual factors for all reflections included in the refinement | 0.0955 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
Diffraction radiation wavelength | 0.71073 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/4089669.html
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Users of the data should acknowledge the original authors of the
structural data.