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Information card for entry 4073602
Preview
| Coordinates | 4073602.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H30 F6 N4 O10 Pd2 S2 |
|---|---|
| Calculated formula | C34 H30 F6 N4 O10 Pd2 S2 |
| SMILES | [Pd]12([O]=C(C)O[Pd]3([O]=C(O1)C)[n]1c(ccc4c1c1[n]3c(ccc1cc4)C)C)[n]1c(ccc3c1c1[n]2c(ccc1cc3)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Aerobic Alcohol Oxidation with Cationic Palladium Complexes: Insights into Catalyst Design and Decomposition |
| Authors of publication | Conley, Nicholas R.; Labios, Liezel A.; Pearson, David M.; McCrory, Charles C. L.; Waymouth, Robert M. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 23 |
| Pages of publication | 5447 |
| a | 25.707 ± 0.003 Å |
| b | 12.2251 ± 0.0012 Å |
| c | 24.111 ± 0.002 Å |
| α | 90° |
| β | 103.182 ± 0.001° |
| γ | 90° |
| Cell volume | 7377.7 ± 1.3 Å3 |
| Cell temperature | 138 K |
| Ambient diffraction temperature | 138 K |
| Number of distinct elements | 7 |
| 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 | 0.0422 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0677 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4073602.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4073602.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073602.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073602.cif |
| 46442 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073602 via cif-deposit CGI script. |
4073602.cif |
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Users of the data should acknowledge the original authors of the
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