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Information card for entry 4084644
Preview
Coordinates | 4084644.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15.33 H24.33 F0.33 Ni0.33 P0.67 |
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Calculated formula | C15.3333 H24.3333 F0.333333 Ni0.333333 P0.666667 |
Title of publication | On the Feasibility of Nickel-Catalyzed Trifluoromethylation of Aryl Halides |
Authors of publication | Jover, Jesús; Miloserdov, Fedor M.; Benet-Buchholz, Jordi; Grushin, Vladimir V.; Maseras, Feliu |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 22 |
Pages of publication | 6531 |
a | 18.5107 ± 0.0019 Å |
b | 9.6749 ± 0.0007 Å |
c | 25.136 ± 0.002 Å |
α | 90° |
β | 109.961 ± 0.004° |
γ | 90° |
Cell volume | 4231.2 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0661 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.091 |
Weighted residual factors for all reflections included in the refinement | 0.1159 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4084644.html
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