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Information card for entry 7035872
Preview
| Coordinates | 7035872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H32 Br2 Cl2 N O8 P Pd |
|---|---|
| Calculated formula | C35 H32 Br2 Cl2 N O8 P Pd |
| SMILES | [Pd]12(Br)[n]3c(ccc4c3c(ccc4)[P+](c3ccccc3)(c3ccccc3)[C@]2(C(=C([C@]1(C(=O)OC)Br)C(=O)OC)C(=O)OC)C(=O)OC)C.C(Cl)Cl.[Pd]12(Br)[n]3c(ccc4c3c(ccc4)[P+](c3ccccc3)(c3ccccc3)[C@@]2(C(=C([C@@]1(C(=O)OC)Br)C(=O)OC)C(=O)OC)C(=O)OC)C.C(Cl)Cl |
| 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 | 11.7017 ± 0.0001 Å |
| b | 26.5544 ± 0.0003 Å |
| c | 12.1475 ± 0.0001 Å |
| α | 90° |
| β | 100.566 ± 0.0004° |
| γ | 90° |
| Cell volume | 3710.61 ± 0.06 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 8 |
| 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 | 0.0649 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7035872.cif |
| 176428 | 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. |
7035872.cif |
| 161748 | 2015-10-09 | cif/ Updating files of 7035871, 7035872, 7035873 Original log message: Adding full bibliography for 7035871--7035873.cif. |
7035872.cif |
| 152315 | 2015-07-21 | cif/ Adding structures of 7035871, 7035872, 7035873 via cif-deposit CGI script. |
7035872.cif |
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Users of the data should acknowledge the original authors of the
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