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Information card for entry 7035871
Preview
| Coordinates | 7035871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H28 Br2 N O8 P Pd |
|---|---|
| Calculated formula | C33 H28 Br2 N O8 P Pd |
| SMILES | [Pd]1(/C(=C(C(=C(Br)\C(=O)OC)\C(=O)OC)/C(=O)OC)C(=O)OC)(Br)[n]2cccc3c2c(ccc3)[P]1(c1ccccc1)c1ccccc1 |
| Title of publication | The addition of bromine and iodine to palladacyclopentadienyl complexes bearing bidentate heteroditopic P-N spectator ligands derived from differently substituted quinolinic frames. The unexpected evolution of the reaction. |
| Authors of publication | Canovese, Luciano; Visentin, Fabiano; Scattolin, Thomas; Santo, Claudio; Bertolasi, Valerio |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 33 |
| Pages of publication | 15049 - 15058 |
| a | 13.9247 ± 0.0002 Å |
| b | 13.3155 ± 0.0002 Å |
| c | 18.1663 ± 0.0002 Å |
| α | 90° |
| β | 96.4251 ± 0.0008° |
| γ | 90° |
| Cell volume | 3347.14 ± 0.08 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0682 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| 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. |
7035871.cif |
| 161748 | 2015-10-09 | cif/ Updating files of 7035871, 7035872, 7035873 Original log message: Adding full bibliography for 7035871--7035873.cif. |
7035871.cif |
| 152315 | 2015-07-21 | cif/ Adding structures of 7035871, 7035872, 7035873 via cif-deposit CGI script. |
7035871.cif |
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