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Information card for entry 4088760
Preview
| Coordinates | 4088760.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H32 Cl3 N3 Pd |
|---|---|
| Calculated formula | C36 H32 Cl3 N3 Pd |
| Title of publication | Sterically Encumbered Tetraarylimidazolium Carbene Pd-PEPPSI Complexes: Highly Efficient Direct Arylation of Imidazoles with Aryl Bromides under Aerobic Conditions |
| Authors of publication | He, Xu-Xian; Li, Yinwu; Ma, Bei-Bei; Ke, Zhuofeng; Liu, Feng-Shou |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 16 |
| Pages of publication | 2655 |
| a | 13.5097 ± 0.0006 Å |
| b | 19.2606 ± 0.0007 Å |
| c | 12.5388 ± 0.0005 Å |
| α | 90° |
| β | 99.154 ± 0.001° |
| γ | 90° |
| Cell volume | 3221.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0317 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.0766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237806 (current) | 2019-11-24 | cif/ Adding structures of 4088759, 4088760, 4088761 via cif-deposit CGI script. |
4088760.cif |
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Users of the data should acknowledge the original authors of the
structural data.