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Information card for entry 4079068
Preview
Coordinates | 4079068.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H28 Fe O3 Si2 |
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Calculated formula | C19 H28 Fe O3 Si2 |
SMILES | [Fe]12345678([c]9([c]1([c]2(OC(=O)C)[c]3([cH]49)[Si](C)(C)C)C=O)[Si](C)(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | (“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents |
Authors of publication | Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 19 |
Pages of publication | 6741 |
a | 23.4373 ± 0.0005 Å |
b | 23.4373 ± 0.0005 Å |
c | 7.65 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3639.21 ± 0.12 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 170 |
Hermann-Mauguin space group symbol | P 65 |
Hall space group symbol | P 65 |
Residual factor for all reflections | 0.0653 |
Residual factor for significantly intense reflections | 0.0581 |
Weighted residual factors for significantly intense reflections | 0.1526 |
Weighted residual factors for all reflections included in the refinement | 0.1585 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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