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Information card for entry 1577298
Preview
| Coordinates | 1577298.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H44 B2 F8 N6 Pd |
|---|---|
| Calculated formula | C30 H44 B2 F8 N6 Pd |
| Title of publication | Aerobic Base-free C-H Bond Activation at a Pd Center in Aqueous Conditions |
| Authors of publication | Bae, Dae Young; Ruhs, Nicholas P.; Mirica, Liviu M. |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 7.729 ± 0.0003 Å |
| b | 9.687 ± 0.0004 Å |
| c | 22.8572 ± 0.0009 Å |
| α | 85.008 ± 0.001° |
| β | 84.302 ± 0.001° |
| γ | 86.384 ± 0.001° |
| Cell volume | 1693.86 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0623 |
| Weighted residual factors for all reflections included in the refinement | 0.0641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| 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 |
|---|---|---|---|
| 306105 (current) | 2026-05-27 | cif/ Adding structures of 1577296, 1577297, 1577298 via cif-deposit CGI script. |
1577298.cif |
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Users of the data should acknowledge the original authors of the
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