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Information card for entry 7711824
Preview
| Coordinates | 7711824.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H38 I N9 O2 Pd |
|---|---|
| Calculated formula | C40 H38 I N9 O2 Pd |
| Title of publication | Direct arylation reaction catalyzed by a PEPPSI-type palladium complex with an amido-functionalized triazole-based mesoionic carbene ligand |
| Authors of publication | Hung, Hsiu-Yu; Hsu, Yung-Hsi; Pi, Hui-Chu; Hu, Ching-Han; Lee, Hon Man |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 9.9641 ± 0.0007 Å |
| b | 20.854 ± 0.0016 Å |
| c | 18.8602 ± 0.0014 Å |
| α | 90° |
| β | 104.447 ± 0.005° |
| γ | 90° |
| Cell volume | 3795.1 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1399 |
| Residual factor for significantly intense reflections | 0.0776 |
| Weighted residual factors for significantly intense reflections | 0.1881 |
| Weighted residual factors for all reflections included in the refinement | 0.2191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279448 (current) | 2022-11-22 | cif/ Adding structures of 7711822, 7711823, 7711824 via cif-deposit CGI script. |
7711824.cif |
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