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Information card for entry 4074128
Preview
Coordinates | 4074128.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H32 Zr |
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Calculated formula | C36 H32 Zr |
SMILES | [Zr]123456789([c]%10([cH]1[c]12cccc[c]31[cH]4%10)[C@@]1(CC[C@@]1([c]15[cH]9[c]28[c]7([cH]61)cccc2)C)C)(c1ccccc1)c1ccccc1 |
Title of publication | Insertion Reactions at Cyclobutylene-Bridgedansa-Metallocene Complexes: A Quest for the Influence of Covering Phenylene Units |
Authors of publication | Chen, Liyi; Nie, Wan-Li; Paradies, Jan; Kehr, Gerald; Fröhlich, Roland; Wedeking, Katrin; Erker, Gerhard |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 22 |
Pages of publication | 5333 |
a | 14.611 ± 0.001 Å |
b | 9.583 ± 0.001 Å |
c | 18.948 ± 0.001 Å |
α | 90° |
β | 90.62 ± 0.01° |
γ | 90° |
Cell volume | 2652.9 ± 0.4 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0784 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for significantly intense reflections | 0.107 |
Weighted residual factors for all reflections included in the refinement | 0.117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4074128.html
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Users of the data should acknowledge the original authors of the
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