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Information card for entry 4086142
Preview
| Coordinates | 4086142.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | wdb_3_143 |
|---|---|
| Chemical name | wdb_9b |
| Formula | C88 H148 N8 O11 P4 Pd4 |
| Calculated formula | C88 H148 N8 O11 P4 Pd4 |
| Title of publication | Pyrazole-Based PCN Pincer Complexes of Palladium(II): Mono- and Dinuclear Hydroxide Complexes and Ligand Rollover C–H Activation |
| Authors of publication | Bailey, Wilson D.; Luconi, Lapo; Rossin, Andrea; Yakhvarov, Dmitry; Flowers, Sarah E.; Kaminsky, Werner; Kemp, Richard A.; Giambastiani, Giuliano; Goldberg, Karen I. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 16 |
| Pages of publication | 3998 |
| a | 15.791 ± 0.005 Å |
| b | 16.128 ± 0.005 Å |
| c | 18.562 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 4727 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.1448 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4086142.cif |
| 154741 | 2015-09-06 | cif/ Updating files of 4086135, 4086136, 4086137, 4086138, 4086139, 4086140, 4086141, 4086142, 4086143 Original log message: Adding full bibliography for 4086135--4086143.cif. |
4086142.cif |
| 152688 | 2015-08-02 | cif/ Adding structures of 4086135, 4086136, 4086137, 4086138, 4086139, 4086140, 4086141, 4086142, 4086143 via cif-deposit CGI script. |
4086142.cif |
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Users of the data should acknowledge the original authors of the
structural data.