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Information card for entry 7010026
Preview
Coordinates | 7010026.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H35 Cl Zr |
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Calculated formula | C26 H35 Cl Zr |
SMILES | [Zr]12345678(Cl)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)c1ccccc1 |
Title of publication | Influence of a [Me2Si] ansa bridge on the barrier to rotation about the Zr‒phenyl bond and on the generation and reactivity of benzyne intermediates: comparison of the structures and reactivity of [Me2Si(C5Me4)2]Zr(Ph)X and Cp*2Zr(Ph)X (X = H, Cl, Ph) |
Authors of publication | Lee, Hyosun; Bridgewater, Brian M.; Parkin, Gerard |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2000 |
Journal issue | 24 |
Pages of publication | 4490 |
a | 8.4788 ± 0.0004 Å |
b | 16.186 ± 0.0008 Å |
c | 17.4483 ± 0.0009 Å |
α | 89.919 ± 0.001° |
β | 85.415 ± 0.001° |
γ | 83.084 ± 0.001° |
Cell volume | 2369.5 ± 0.2 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0573 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.1152 |
Weighted residual factors for all reflections included in the refinement | 0.1223 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
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/7010026.html
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Users of the data should acknowledge the original authors of the
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