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Information card for entry 4133731
Preview
Coordinates | 4133731.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H16 Cl F7 N2 Ni |
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Calculated formula | C17 H16 Cl F7 N2 Ni |
SMILES | [Ni]12(Cl)([n]3ccccc3C(F)(c3[n]1cccc3)C(C2)(C)C)(C(F)(F)F)C(F)(F)F |
Title of publication | Nickel(II/IV) Manifold Enables Room-Temperature C(sp3)‒H Functionalization |
Authors of publication | Roberts, Courtney C.; Chong, Eugene; Kampf, Jeff W.; Canty, Allan J.; Ariafard, Alireza; Sanford, Melanie S. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
a | 18.5124 ± 0.0003 Å |
b | 12.35978 ± 0.00012 Å |
c | 16.538 ± 0.0002 Å |
α | 90° |
β | 115.122 ± 0.002° |
γ | 90° |
Cell volume | 3426.1 ± 0.1 Å3 |
Cell temperature | 85 ± 2 K |
Ambient diffraction temperature | 85 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0386 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.1099 |
Weighted residual factors for all reflections included in the refinement | 0.1103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4133731.html
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