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Information card for entry 1519709
Preview
| Coordinates | 1519709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H47 P3 Pd |
|---|---|
| Calculated formula | C29 H47 P3 Pd |
| SMILES | [Pd]123([C](=[CH2]2)(c2c([P]1(C(C)C)C(C)C)cccc2)c1c([P]3(C(C)C)C(C)C)cccc1)[P](C)(C)C |
| Title of publication | Palladium carbene complexes as persistent radicals |
| Authors of publication | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 8 |
| Pages of publication | 4570 |
| a | 10.3086 ± 0.0007 Å |
| b | 24.0617 ± 0.0016 Å |
| c | 12.5709 ± 0.0008 Å |
| α | 90° |
| β | 107.577 ± 0.0018° |
| γ | 90° |
| Cell volume | 2972.5 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0257 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.0495 |
| Weighted residual factors for all reflections included in the refinement | 0.0512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| 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. |
1519709.cif |
| 153082 | 2015-08-08 | cif/ Updating files of 1519705, 1519706, 1519707, 1519708, 1519709, 1519710, 1519711, 1519712, 1519713 Original log message: Adding full bibliography for 1519705--1519713.cif. |
1519709.cif |
| 136929 | 2015-05-19 | cif/ Adding structures of 1519705, 1519706, 1519707, 1519708, 1519709, 1519710, 1519711, 1519712, 1519713 via cif-deposit CGI script. |
1519709.cif |
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Users of the data should acknowledge the original authors of the
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