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Information card for entry 2023374
Preview
| Coordinates | 2023374.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Dibromido(di-<i>tert</i>-butylisopropylphosphine selenide-κ<i>Se</i>)palladium(II) |
|---|---|
| Formula | C22 H50 Br2 P2 Pd Se2 |
| Calculated formula | C22 H50 Br2 P2 Pd Se2 |
| SMILES | [Pd](Br)(Br)([Se]=P(C(C)(C)C)(C(C)(C)C)C(C)C)[Se]=P(C(C)(C)C)(C(C)C)C(C)(C)C |
| Title of publication | Crystal structures of six complexes of phosphane chalcogenides <i>R</i> <sup>1</sup> <i>R</i> <sup>2</sup> <i>R</i> <sup>3</sup>P<i>E</i> (<i>R</i> = <i>tert</i>-butyl or isopropyl, <i>E</i> = S or Se) with the metal halides <i>MX</i> <sub>2</sub> (<i>M</i> = Pd or Pt, <i>X</i> = Cl or Br), two halochalcogenyl-phospho-nium derivatives ( <sup><i>t</i></sup> Bu<sub>2</sub> <sup>i</sup>PrP<i>E</i>Br)<sub>2</sub>[Pd<sub>2</sub>Br<sub>6</sub>] and one hydrolysis product. |
| Authors of publication | Upmann, Daniel; Jones, Peter G. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | Pt 3 |
| Pages of publication | 183 - 194 |
| a | 15.3561 ± 0.0006 Å |
| b | 13.4695 ± 0.0004 Å |
| c | 16.1371 ± 0.0006 Å |
| α | 90° |
| β | 116.558 ± 0.005° |
| γ | 90° |
| Cell volume | 2985.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0577 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299189 (current) | 2025-04-05 | cif/ Updating files of 2023372, 2023373, 2023374, 2023375, 2023376, 2023377, 2023378, 2023379, 2023380 Original log message: Adding full bibliography for 2023372--2023380.cif. |
2023374.cif |
| 297594 | 2025-02-05 | cif/ Adding structures of 2023372, 2023373, 2023374, 2023375, 2023376, 2023377, 2023378, 2023379, 2023380 via cif-deposit CGI script. |
2023374.cif |
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Users of the data should acknowledge the original authors of the
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