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Information card for entry 4125503
Preview
| Coordinates | 4125503.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H16 N2 Pd |
|---|---|
| Calculated formula | C26 H16 N2 Pd |
| SMILES | [Pd]12(c3c4c(ccc5ccc[n]1c45)ccc3)[n]1c3c4c2cccc4ccc3ccc1 |
| Title of publication | Structure and Gas-Phase Thermochemistry of a Pd/Cu Complex: Studies on a Model for Transmetalation Transition States. |
| Authors of publication | Oeschger, Raphael J.; Chen, Peter |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 3 |
| Pages of publication | 1069 - 1072 |
| a | 20.179 ± 0.005 Å |
| b | 7.3128 ± 0.0018 Å |
| c | 24.983 ± 0.006 Å |
| α | 90° |
| β | 106.921 ± 0.01° |
| γ | 90° |
| Cell volume | 3527 ± 1.5 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 4 |
| 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 | 0.0848 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193522 (current) | 2017-03-04 | cif/ Updating files of 4125503 Original log message: Adding full bibliography for 4125503.cif. |
4125503.cif |
| 192562 | 2017-03-01 | cif/ Adding structures of 4125503 via cif-deposit CGI script. |
4125503.cif |
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Users of the data should acknowledge the original authors of the
structural data.