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Information card for entry 1564897
Preview
| Coordinates | 1564897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H40 Br2 Cl4 Fe N2 Ni2 P2 |
|---|---|
| Calculated formula | C46 H40 Br2 Cl4 Fe N2 Ni2 P2 |
| Title of publication | Inhibition of (dppf)nickel-catalysed Suzuki-Miyaura cross-coupling reactions by α-halo-N-heterocycles |
| Authors of publication | Cooper, Alasdair K.; Greaves, Megan E.; Donohoe, William; Burton, Paul Matthew; Ronson, Thomas Oliver; Kennedy, Alan; Nelson, David James |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 12.7154 ± 0.0001 Å |
| b | 17.1989 ± 0.0002 Å |
| c | 20.6947 ± 0.0002 Å |
| α | 90° |
| β | 95.54 ± 0.001° |
| γ | 90° |
| Cell volume | 4504.6 ± 0.08 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0509 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1196 |
| Weighted residual factors for all reflections included in the refinement | 0.1255 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269887 (current) | 2021-10-12 | cif/ Adding structures of 1564896, 1564897, 1564898, 1564899 via cif-deposit CGI script. |
1564897.cif |
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