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Information card for entry 4115424
Preview
| Coordinates | 4115424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 F22 O4 Pd Sb4 |
|---|---|
| Calculated formula | C4 F22 O4 Pd Sb4 |
| SMILES | [Sb]([F][Sb](F)(F)(F)(F)F)(F)(F)(F)(F)F.[Sb]([F][Sb](F)(F)(F)(F)F)(F)(F)(F)(F)F.[Pd](C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Superelectrophilic Tetrakis(carbonyl)palladium(II)- and -platinum(II) Undecafluorodiantimonate(V), [Pd(CO)4][Sb2F11]2 and [Pt(CO)4][Sb2F11]2: Syntheses, Physical and Spectroscopic Properties, Their Crystal, Molecular, and Extended Structures, and Density Functional Calculations: An Experimental, Computational, and Comparative Study |
| Authors of publication | Helge Willner; Matthias Bodenbinder; Raimund Bröchler; Germaine Hwang; Steven J. Rettig; James Trotter; Britta von Ahsen; Ulrich Westphal; Volker Jonas; Walter Thiel; Friedhelm Aubke |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2001 |
| Journal volume | 123 |
| Pages of publication | 588 - 602 |
| a | 12.583 ± 0.002 Å |
| b | 9.8172 ± 0.0009 Å |
| c | 17.9895 ± 0.0009 Å |
| α | 90° |
| β | 103.118 ± 0.001° |
| γ | 90° |
| Cell volume | 2164.2 ± 0.4 Å3 |
| Cell temperature | 180.2 K |
| Ambient diffraction temperature | 180.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for all reflections | 0.0466 |
| Weighted residual factors for all reflections included in the refinement | 0.022 |
| Goodness-of-fit parameter for all reflections | 1.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.7107 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. |
4115424.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115424.cif |
| 68939 | 2012-11-27 | cif/ Adding structures of 4115424 via cif-deposit CGI script. |
4115424.cif |
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Users of the data should acknowledge the original authors of the
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