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Information card for entry 4068675
Preview
Coordinates | 4068675.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H33 Br2 N O Zr |
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Calculated formula | C39 H33 Br2 N O Zr |
SMILES | [Zr]12345678(Br)(Br)([cH]9[c]1(n1c%10ccccc%10c%10ccccc1%10)[cH]2[c]14[c]39cccc1)[cH]1[c]5([cH]6[c]28cccc[c]712)c1c(cc(cc1C)C)C.O |
Title of publication | Group 4 Metallocenes Bearing η5-2-(N-Azolyl)indenyl Ligands: Synthesis, Structure Characterization, and Olefin Polymerization Catalysis |
Authors of publication | Lebedev, Artem Y.; Izmer, Vyatcheslav V.; Asachenko, Andrey F.; Tzarev, Alexey A.; Uborsky, Dmitry V.; Homutova, Yuliya A.; Shperber, Elizar R.; Canich, Jo Ann M.; Voskoboynikov, Alexander Z. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 6 |
Pages of publication | 1800 |
a | 13.745 ± 0.005 Å |
b | 18.345 ± 0.005 Å |
c | 13.792 ± 0.005 Å |
α | 90° |
β | 108.43 ± 0.03° |
γ | 90° |
Cell volume | 3299 ± 2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.1006 |
Residual factor for significantly intense reflections | 0.0585 |
Weighted residual factors for significantly intense reflections | 0.1318 |
Weighted residual factors for all reflections included in the refinement | 0.1489 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/4068675.html
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structural data.