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Information card for entry 4073604
Preview
| Coordinates | 4073604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 07064 |
|---|---|
| Formula | C17 H12 F3 N3 O5 Pd S |
| Calculated formula | C17 H12 F3 N3 O5 Pd S |
| 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 | 11.157 ± 0.0011 Å |
| b | 13.8378 ± 0.0014 Å |
| c | 18.9319 ± 0.0018 Å |
| α | 100.908 ± 0.002° |
| β | 106.926 ± 0.002° |
| γ | 95.415 ± 0.002° |
| Cell volume | 2710.8 ± 0.5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0472 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178625 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/36. |
4073604.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073604.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073604.cif |
| 46444 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073604 via cif-deposit CGI script. |
4073604.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.