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Information card for entry 4065716
Preview
Coordinates | 4065716.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H50 O2 Zr |
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Calculated formula | C35 H50 O2 Zr |
SMILES | [Zr]12345678(OC9([C@]%10(C=C(C%11=[C]5%10C2[CH]3=C[C@@H]%11C2(O1)CCCC2)C(C)C)C(C)C)CCCC9)[c]1([c]6([c]7([c]8([c]41C)C)C)C)C.[Zr]12345678(OC9([C@@]%10(C=C(C%11=[C]5%10C2[CH]3=C[C@H]%11C2(O1)CCCC2)C(C)C)C(C)C)CCCC9)[c]1([c]6([c]7([c]8([c]41C)C)C)C)C |
Title of publication | Cyclopentanone Insertion into η9-Indenyl Rings of Zirconium Sandwich Complexes |
Authors of publication | Pun, Doris; Lobkovsky, Emil; Keresztes, Ivan; Chirik, Paul J. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 7 |
Pages of publication | 1789 |
a | 15.8788 ± 0.001 Å |
b | 20.8366 ± 0.0012 Å |
c | 8.9281 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2954 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0947 |
Residual factor for significantly intense reflections | 0.0576 |
Weighted residual factors for significantly intense reflections | 0.0966 |
Weighted residual factors for all reflections included in the refinement | 0.1126 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 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/4065716.html
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.