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Information card for entry 2229958
Preview
Coordinates | 2229958.cif |
---|---|
Structure factors | 2229958.hkl |
Original IUCr paper | HTML |
Chemical name | Trichlorido(tetrahydrofuran){(1,2,3,3a,7a-η)-1-[2-(1-trimethylsilyl- 1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)-1-methylpropyl]indenyl}zirconium(IV) |
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Formula | C23 H33 Cl3 N2 O Si Zr |
Calculated formula | C23 H33 Cl3 N2 O Si Zr |
SMILES | [Zr]12345(Cl)(Cl)(Cl)([O]6CCCC6)[n]6c(n([Si](C)(C)C)cc6)CC(C)(C)[c]61[cH]2[cH]3[c]14cccc[c]561 |
Title of publication | Trichlorido(tetrahydrofuran){(1,2,3,3a,7a-η)-1-[2-(1-trimethylsilyl-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)-1-methylpropyl]indenyl}zirconium(IV) |
Authors of publication | Guan, Shengzhou; Nie, Wanli; Borzov, Maxim V. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 5 |
Pages of publication | m540 - m541 |
a | 10.6274 ± 0.0008 Å |
b | 10.9496 ± 0.0007 Å |
c | 13.1397 ± 0.0009 Å |
α | 102.72 ± 0.001° |
β | 101.416 ± 0.001° |
γ | 110.456 ± 0.001° |
Cell volume | 1332.73 ± 0.16 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0564 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0872 |
Weighted residual factors for all reflections included in the refinement | 0.0925 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2229958.html
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