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Information card for entry 4514061
Preview
Coordinates | 4514061.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H64 Fe2 I2 Ni2 O P4 |
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Calculated formula | C72 H64 Fe2 I2 Ni2 O P4 |
Title of publication | When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides. |
Authors of publication | Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska |
Journal of publication | ACS catalysis |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 3 |
Pages of publication | 2126 - 2132 |
a | 23.6771 ± 0.0005 Å |
b | 13.9547 ± 0.0003 Å |
c | 19.1841 ± 0.0004 Å |
α | 90° |
β | 90.394 ± 0.002° |
γ | 90° |
Cell volume | 6338.4 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0609 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.0735 |
Weighted residual factors for all reflections included in the refinement | 0.0798 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71075 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/4514061.html
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Users of the data should acknowledge the original authors of the
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