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Information card for entry 4078547
Preview
Coordinates | 4078547.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H50 Cl3 N Si Zr |
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Calculated formula | C45 H50 Cl3 N Si Zr |
SMILES | [Zr]123456789(Cl)(NC(C)(C)C)[c]%10([Si](C)([c]%115[c]6([cH]7[c]58[c]9%11cc6c(c5c5ccccc5)CCC6)C)C)[c]1([cH]2[c]13[c]4%10cc2c(c1c1ccccc1)CCC2)C.C(Cl)Cl |
Title of publication | Novel Effective Racemoselective Method for the Synthesis ofansa-Zirconocenes and Its Use for the Preparation ofC2-Symmetric Complexes Based on 2-Methyl-4-aryltetrahydro(s)indacene as Catalysts for Isotactic Propylene Polymerization and Ethylene‒Propylene Copolymerization |
Authors of publication | Nifant’ev, Ilya E.; Ivchenko, Pavel V.; Bagrov, Vladimir V.; Churakov, Andrei V.; Chevalier, Reynald |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 11 |
Pages of publication | 4340 |
a | 18.1387 ± 0.0009 Å |
b | 9.1186 ± 0.0005 Å |
c | 24.6022 ± 0.0012 Å |
α | 90° |
β | 95.529 ± 0.001° |
γ | 90° |
Cell volume | 4050.3 ± 0.4 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0816 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.1383 |
Weighted residual factors for all reflections included in the refinement | 0.1497 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
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/4078547.html
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Users of the data should acknowledge the original authors of the
structural data.