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Information card for entry 7113849
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| Coordinates | 7113849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Bromobis(triphenylphosphine)(N-succinimide)palladium(ii) |
|---|---|
| Formula | C40 H34 Br N O2 P2 Pd |
| Calculated formula | C40 H34 Br N O2 P2 Pd |
| SMILES | [Pd](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)N1C(=O)CCC1=O |
| Title of publication | Bromobis(triphenylphosphine)(N-succinimide)palladium(II) as a novel catalyst for Stille cross-coupling reactions |
| Authors of publication | Crawforth, Catherine M.; Burling, Suzanne; Fairlamb, Ian J. S.; Taylor, Richard J. K.; Whitwood, Adrian C. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 17 |
| Pages of publication | 2194 - 2195 |
| a | 12.3222 ± 0.0011 Å |
| b | 19.88 ± 0.002 Å |
| c | 13.6371 ± 0.0013 Å |
| α | 90° |
| β | 90.182 ± 0.002° |
| γ | 90° |
| Cell volume | 3340.6 ± 0.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 386 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0849 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103858 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210668 (current) | 2018-09-09 | cif/7/ Updating bibliography in entries 7103858, 7113849. Marking entry 7113849 as a duplicate of entry 7103858. |
7113849.cif |
| 180252 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38. |
7113849.cif |
| 115309 | 2014-06-02 | cif/ Adding structures of 7113849 via cif-deposit CGI script. |
7113849.cif |
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