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Information card for entry 2232026
Preview
Coordinates | 2232026.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Trichlorido-1κ^2^<i>Cl</i>,2κ<i>Cl</i>-(2,6-dimethylphenolato-2κ<i>O</i>)- μ-oxido-bis{1,2(η^5^)-2,3,4,5-tetramethyl-1-[4- (trimethylsilyl)phenyl]cyclopentadienyl}dititanium(IV) |
---|---|
Formula | C44 H59 Cl3 O2 Si2 Ti2 |
Calculated formula | C44 H59 Cl3 O2 Si2 Ti2 |
SMILES | [Ti]1234(Cl)(Oc5c(cccc5C)C)(O[Ti]5678(Cl)(Cl)[c]9([c]5([c]6([c]7([c]89C)C)C)C)c5ccc([Si](C)(C)C)cc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)c1ccc([Si](C)(C)C)cc1 |
Title of publication | Trichlorido-1κ^2^<i>Cl</i>,2κ<i>Cl</i>-(2,6-dimethylphenolato-2κ<i>O</i>)-μ-oxido-bis{1,2(η^5^)-2,3,4,5-tetramethyl-1-[4-(trimethylsilyl)phenyl]cyclopentadienyl}dititanium(IV) |
Authors of publication | Luo, Xuyang; Wu, Qiaolin; Mu, Ying |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 10 |
Pages of publication | m1355 |
a | 11.405 ± 0.002 Å |
b | 12.949 ± 0.003 Å |
c | 18.132 ± 0.004 Å |
α | 104.19 ± 0.03° |
β | 101.13 ± 0.03° |
γ | 108.96 ± 0.03° |
Cell volume | 2344.1 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1022 |
Residual factor for significantly intense reflections | 0.0571 |
Weighted residual factors for significantly intense reflections | 0.1521 |
Weighted residual factors for all reflections included in the refinement | 0.1875 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/2232026.html
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