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Information card for entry 7035485
Preview
| Coordinates | 7035485.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 N2 O2 Pd |
|---|---|
| Calculated formula | C24 H20 N2 O2.33333 Pd |
| SMILES | [Pd]12(c3cccc4cccc([N]2=Cc2c(ccc(OC)c2)O1)c34)[n]1ccc(cc1)C.O |
| 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 | 14.3458 ± 0.0004 Å |
| b | 15.7571 ± 0.0005 Å |
| c | 26.8926 ± 0.0008 Å |
| α | 90° |
| β | 94.016 ± 0.002° |
| γ | 90° |
| Cell volume | 6064.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.057 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| 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. |
7035485.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. |
7035485.cif |
| 139387 | 2015-06-19 | cif/ Adding structures of 7035480, 7035481, 7035482, 7035483, 7035484, 7035485 via cif-deposit CGI script. |
7035485.cif |
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Users of the data should acknowledge the original authors of the
structural data.