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Information card for entry 4107495
Preview
| Coordinates | 4107495.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | H18.8 K9.8 Na3 O80.3 P2 Pd W19 |
|---|---|
| Calculated formula | K9.8 Na3 O80.3 P2 Pd W19 |
| Title of publication | A Palladium-Oxo Complex. Stabilization of This Proposed Catalytic Intermediate by an Encapsulating Polytungstate Ligand [J. Am. Chem.Soc.2005,127, 11948-11949]. |
| Authors of publication | Travis M. Anderson; Rui Cao; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Wade A. Neiwert; Shaoxiong Wu; Martin L. Kirk; Sushilla Knottenbelt; Ezra C. Depperman; Bineta Keita; Louis Nadjo; Djamaladdin G. Musaev; Keiji Morokuma; Craig L. Hill |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 2877 - 2877 |
| a | 11.8734 ± 0.0015 Å |
| b | 17.225 ± 0.002 Å |
| c | 22.814 ± 0.003 Å |
| α | 90.536 ± 0.002° |
| β | 103.247 ± 0.002° |
| γ | 108.671 ± 0.002° |
| Cell volume | 4285.4 ± 0.9 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 | 0.0502 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.1439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4107495.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107495.cif |
| 55179 | 2012-05-03 | cif/ Adding structures of 4107495 via cif-deposit CGI script. |
4107495.cif |
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Users of the data should acknowledge the original authors of the
structural data.