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Information card for entry 4118009
Preview
Coordinates | 4118009.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Cp2Zr[N(t-Bu)SiHMe2]OTf |
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Formula | C17 H26 F3 N O3 S Si Zr |
Calculated formula | C17 H26 F3 N O3 S Si Zr |
SMILES | [Zr]123456789([H][Si](C)(C)N9C(C)(C)C)([cH]9[cH]1[cH]2[cH]3[cH]49)([cH]1[cH]5[cH]6[cH]7[cH]81)OS(=O)(=O)C(F)(F)F |
Title of publication | Nonclassical β-Hydrogen Elimination of Hydrosilazido Zirconium Compounds via Direct Hydrogen Transfer |
Authors of publication | KaKing Yan; Arkady Ellern; Aaron D. Sadow |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 9154 - 9156 |
a | 14.951 ± 0.002 Å |
b | 16.424 ± 0.002 Å |
c | 17.657 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4335.8 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0646 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0691 |
Weighted residual factors for all reflections included in the refinement | 0.0806 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/4118009.html
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