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Information card for entry 4515797
Preview
| Coordinates | 4515797.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H28 F4 N12 Ni2 |
|---|---|
| Calculated formula | C40 H28 F4 N12 Ni2 |
| Title of publication | Bimetallic Nickel Complexes for Aniline C‒H Alkylations |
| Authors of publication | Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 12 |
| Pages of publication | 11657 |
| a | 9.5253 ± 0.0004 Å |
| b | 16.5175 ± 0.0007 Å |
| c | 22.4483 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3531.9 ± 0.3 Å3 |
| Cell temperature | 99.97 K |
| Ambient diffraction temperature | 99.97 K |
| Number of distinct elements | 5 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0701 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.155 |
| Weighted residual factors for all reflections included in the refinement | 0.1558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.353 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225913 (current) | 2019-11-10 | cif/ Adding structures of 4515797 via cif-deposit CGI script. |
4515797.cif |
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Users of the data should acknowledge the original authors of the
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