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Information card for entry 7031816
Preview
Coordinates | 7031816.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H50 Si2 |
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Calculated formula | C44 H50 Si2 |
SMILES | [Si]([C@@H]1C(=Cc2ccccc12)C(=C1c2c(cccc2)c2c1cccc2)C1=Cc2ccccc2[C@@H]1[Si](CC)(CC)CC)(CC)(CC)CC.[Si]([C@H]1C(=Cc2ccccc12)C(=C1c2c(cccc2)c2c1cccc2)C1=Cc2ccccc2[C@H]1[Si](CC)(CC)CC)(CC)(CC)CC |
Title of publication | 1,1-Olefin-bridged bis-(2-indenyl) metallocenes of titanium and zirconium. |
Authors of publication | Morton, Jason G. M.; Al-Shammari, Haif; Sun, Yunshan; Zhu, Jiangtao; Stephan, Douglas W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 35 |
Pages of publication | 13219 - 13231 |
a | 8.3973 ± 0.0011 Å |
b | 12.1375 ± 0.0014 Å |
c | 18.422 ± 0.002 Å |
α | 103.273 ± 0.006° |
β | 93.615 ± 0.007° |
γ | 92.848 ± 0.006° |
Cell volume | 1819.8 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0694 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.1062 |
Weighted residual factors for all reflections included in the refinement | 0.1202 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/7031816.html
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Users of the data should acknowledge the original authors of the
structural data.