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Information card for entry 4074486
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4074486.cif |
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Original paper (by DOI) | HTML |
Formula | C63 H50 Al F15 N2 Zr |
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Calculated formula | C63 H50 Al F15 N2 Zr |
SMILES | [Zr]12(n3cccc3C=[N]1c1c(cccc1C(C)C)C(C)C)(Cc1ccccc1)(Cc1ccccc1)[CH]1=[CH]2C=C(C[Al](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C=C1.Cc1ccccc1 |
Title of publication | Preparation and Characterization of a Zwitterionic (Iminopyrrolyl)zirconium Complex with Benzylaluminate Anion and Its Catalytic Performance for 1-Hexene Polymerization |
Authors of publication | Tsurugi, Hayato; Mashima, Kazushi |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 22 |
Pages of publication | 5210 |
a | 11.4095 ± 0.0015 Å |
b | 21.711 ± 0.004 Å |
c | 22.396 ± 0.004 Å |
α | 90° |
β | 90.851 ± 0.006° |
γ | 90° |
Cell volume | 5547.1 ± 1.6 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 120 ± 1 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 | 0.1336 |
Residual factor for significantly intense reflections | 0.0735 |
Weighted residual factors for significantly intense reflections | 0.1646 |
Weighted residual factors for all reflections included in the refinement | 0.1891 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71075 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/4074486.html
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Users of the data should acknowledge the original authors of the
structural data.