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Information card for entry 7035481
Preview
| Coordinates | 7035481.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H25 N O P Pd |
|---|---|
| Calculated formula | C35 H26 N O P Pd |
| SMILES | [Pd]12(c3cccc4c3c([N]1=Cc1c(cccc1)O2)ccc4)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Palladium(0)-mediated C-H bond activation of N-(naphthyl)salicylaldimine and related ligands: utilization of the resulting organopalladium complexes in catalytic C-C and C-N coupling reactions. |
| Authors of publication | Dutta, Jayita; Richmond, Michael G.; Bhattacharya, Samaresh |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 30 |
| Pages of publication | 13615 - 13632 |
| a | 14.3819 ± 0.0011 Å |
| b | 11.8875 ± 0.0009 Å |
| c | 17.6698 ± 0.0013 Å |
| α | 90° |
| β | 112.09 ± 0.004° |
| γ | 90° |
| Cell volume | 2799.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1253 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.1418 |
| Weighted residual factors for all reflections included in the refinement | 0.1772 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7035481.cif |
| 153155 | 2015-08-08 | cif/ Updating files of 7035480, 7035481, 7035482, 7035483, 7035484, 7035485 Original log message: Adding full bibliography for 7035480--7035485.cif. |
7035481.cif |
| 139387 | 2015-06-19 | cif/ Adding structures of 7035480, 7035481, 7035482, 7035483, 7035484, 7035485 via cif-deposit CGI script. |
7035481.cif |
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Users of the data should acknowledge the original authors of the
structural data.