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Information card for entry 4083340
Preview
Coordinates | 4083340.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H43 F3 N2 O4 S Zr |
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Calculated formula | C36 H43 F3 N2 O4 S Zr |
SMILES | [Zr]123456789([N](N(C)C(=C9c9ccccc9)c9ccccc9)=O)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.O=S(=O)([O-])C(F)(F)F |
Title of publication | Functionalization of Complexed N2O in Bis(pentamethylcyclopentadienyl) Systems of Zirconium and Titanium. |
Authors of publication | Mindiola, Daniel J.; Watson, Lori A.; Meyer, Karsten; Hillhouse, Gregory L. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 11 |
Pages of publication | 2760 - 2769 |
a | 13.6603 ± 0.0017 Å |
b | 13.7471 ± 0.0017 Å |
c | 18.604 ± 0.002 Å |
α | 97.543 ± 0.002° |
β | 99.629 ± 0.002° |
γ | 93.96 ± 0.003° |
Cell volume | 3399.8 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0657 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.1294 |
Weighted residual factors for all reflections included in the refinement | 0.1342 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
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/4083340.html
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Users of the data should acknowledge the original authors of the
structural data.