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Information card for entry 4075421
Preview
Coordinates | 4075421.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H26 Cl2 Zr |
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Calculated formula | C22 H26 Cl2 Zr |
SMILES | [Zr]12345678(Cl)(Cl)([cH]9[c]1([cH]2[cH]3[c]49C(=C)C)C(=C)C)[cH]1[c]8([cH]7[cH]6[c]51C(=C)C)C(=C)C |
Title of publication | [2+2]-Cycloaddition and Subsequentmeso/racansa-Metallocene Interconversion by Photolysis of a Bis(1,3-dialkenylcyclopentadienyl)zirconium Complex |
Authors of publication | Paradies, Jan; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 16 |
Pages of publication | 3920 |
a | 11.92 ± 0.001 Å |
b | 13.579 ± 0.001 Å |
c | 13.236 ± 0.001 Å |
α | 90° |
β | 101.85 ± 0.01° |
γ | 90° |
Cell volume | 2096.7 ± 0.3 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 2 K |
Number of distinct elements | 4 |
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 | 0.04 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.0787 |
Weighted residual factors for all reflections included in the refinement | 0.0828 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4075421.html
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