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Information card for entry 7036374
Preview
| Coordinates | 7036374.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H30 I2 N3 P Pd |
|---|---|
| Calculated formula | C34 H30 I2 N3 P Pd |
| SMILES | [Pd](I)(I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1n(n[n+](c1c1ccccc1)C)Cc1ccccc1 |
| Title of publication | Fluoride-free Hiyama coupling by palladium abnormal N-heterocyclic carbene complexes. |
| Authors of publication | Modak, Sudipta; Gangwar, Manoj Kumar; Nageswar Rao, Mitta; Madasu, Mahesh; Kalita, Alok Ch; Dorcet, Vincent; Shejale, Mayuri Arun; Butcher, Ray J.; Ghosh, Prasenjit |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 40 |
| Pages of publication | 17617 - 17628 |
| a | 17.887 ± 0.006 Å |
| b | 18.351 ± 0.007 Å |
| c | 19.356 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6353 ± 4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.064 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.273 |
| Diffraction radiation wavelength | 0.71075 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. |
7036374.cif |
| 161914 | 2015-10-09 | cif/ Updating files of 7036370, 7036371, 7036372, 7036373, 7036374, 7036375 Original log message: Adding full bibliography for 7036370--7036375.cif. |
7036374.cif |
| 153905 | 2015-09-03 | cif/ Adding structures of 7036370, 7036371, 7036372, 7036373, 7036374, 7036375 via cif-deposit CGI script. |
7036374.cif |
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Users of the data should acknowledge the original authors of the
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