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Information card for entry 4517962
Preview
| Coordinates | 4517962.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H31 Br2 N3 Pd |
|---|---|
| Calculated formula | C25 H31 Br2 N3 Pd |
| Title of publication | Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling |
| Authors of publication | Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam |
| Journal of publication | ACS Omega |
| Year of publication | 2020 |
| a | 14.7578 ± 0.0005 Å |
| b | 13.4002 ± 0.0005 Å |
| c | 25.2603 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4995.4 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0551 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0632 |
| Weighted residual factors for all reflections included in the refinement | 0.0748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255424 (current) | 2020-08-19 | cif/ Adding structures of 4517962 via cif-deposit CGI script. |
4517962.cif |
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