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Information card for entry 4086397
Preview
| Coordinates | 4086397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21.5 H34 Cl N3 O1.5 Pd |
|---|---|
| Calculated formula | C21.5 H34 Cl N3 O1.5 Pd |
| Title of publication | Synthesis, Structures, and Norbornene Polymerization Behavior of Palladium Complexes Bearing Tridentateo-Aryloxide-N-heterocyclic Carbene Ligands |
| Authors of publication | Yang, Dandan; Tang, Yungang; Song, Haibin; Wang, Baiquan |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 10 |
| Pages of publication | 1392 |
| a | 30.236 ± 0.006 Å |
| b | 9.775 ± 0.002 Å |
| c | 17.405 ± 0.004 Å |
| α | 90° |
| β | 101.4 ± 0.03° |
| γ | 90° |
| Cell volume | 5042.7 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0595 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1373 |
| Weighted residual factors for all reflections included in the refinement | 0.1445 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4086397.cif |
| 183596 | 2016-06-17 | cif/ Updating files of 4086395, 4086396, 4086397, 4086398 Original log message: Adding full bibliography for 4086395--4086398.cif. |
4086397.cif |
| 174728 | 2016-01-22 | cif/ Adding structures of 4086395, 4086396, 4086397, 4086398 via cif-deposit CGI script. |
4086397.cif |
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Users of the data should acknowledge the original authors of the
structural data.