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Information card for entry 7055156
Preview
| Coordinates | 7055156.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H53 Cl N4 O P2 Pd |
|---|---|
| Calculated formula | C47 H53 Cl N4 O P2 Pd |
| SMILES | [Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1n(nnn1)C(C)(C)C.O(C(C)C)C(C)C |
| Title of publication | PdII-mediated integration of isocyanides and azide ions might proceed via formal 1,3-dipolar cycloaddition between RNC ligands and uncomplexed azide |
| Authors of publication | Kinzhalov, Mikhail A.; Novikov, Alexander S.; Luzyanin, Konstantin V.; Haukka, Matti; Pombeiro, Armando J. L.; Kukushkin, Vadim Yu. |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 1 |
| Pages of publication | 521 |
| a | 12.9196 ± 0.0003 Å |
| b | 13.3903 ± 0.0003 Å |
| c | 25.3747 ± 0.0004 Å |
| α | 90° |
| β | 95.496 ± 0.001° |
| γ | 90° |
| Cell volume | 4369.57 ± 0.16 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0549 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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. |
7055156.cif |
| 176127 | 2016-02-05 | cif/ Updating files of 7055156 Original log message: Adding full bibliography for 7055156.cif. |
7055156.cif |
| 170195 | 2015-11-07 | cif/ Adding structures of 7055156 via cif-deposit CGI script. |
7055156.cif |
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