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Information card for entry 4086370
Preview
| Coordinates | 4086370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H28 Cl O P S Si |
|---|---|
| Calculated formula | C32 H28 Cl O P S Si |
| SMILES | ClC(P(=S)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1OC |
| Title of publication | Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity |
| Authors of publication | Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 2 |
| Pages of publication | 159 |
| a | 10.9149 ± 0.0007 Å |
| b | 11.5973 ± 0.0007 Å |
| c | 11.6182 ± 0.0007 Å |
| α | 107.644 ± 0.002° |
| β | 94.044 ± 0.002° |
| γ | 95.38 ± 0.002° |
| Cell volume | 1387.71 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0538 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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. |
4086370.cif |
| 175807 | 2016-02-04 | cif/ Updating files of 4086366, 4086367, 4086368, 4086369, 4086370, 4086371, 4086372, 4086373, 4086374, 4086375, 4086376, 4086377, 4086378 Original log message: Adding full bibliography for 4086366--4086378.cif. |
4086370.cif |
| 171827 | 2016-01-01 | cif/ Adding structures of 4086366, 4086367, 4086368, 4086369, 4086370, 4086371, 4086372, 4086373, 4086374, 4086375, 4086376, 4086377, 4086378 via cif-deposit CGI script. |
4086370.cif |
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Users of the data should acknowledge the original authors of the
structural data.