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Information card for entry 4087292
Preview
Coordinates | 4087292.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H44 F3 Ir O3 P2 S |
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Calculated formula | C47 H44 F3 Ir O3 P2 S |
SMILES | [Ir]12345([P](c6c5cccc6)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.C(F)(F)(F)S(=O)(=O)[O-] |
Title of publication | Perfluoroalkylation of Coordinated Ethene in Rh(I) and Ir(I) Complexes. Catalytic Addition of Iodoperfluoroalkanes to Ethene |
Authors of publication | Blaya, María; Bautista, Delia; Gil-Rubio, Juan; Vicente, José |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 7 |
Pages of publication | 1245 |
a | 15.5419 ± 0.0012 Å |
b | 12.8656 ± 0.0011 Å |
c | 20.1928 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4037.7 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0236 |
Residual factor for significantly intense reflections | 0.0218 |
Weighted residual factors for significantly intense reflections | 0.0482 |
Weighted residual factors for all reflections included in the refinement | 0.0488 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/4087292.html
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Users of the data should acknowledge the original authors of the
structural data.