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Information card for entry 7003090
Preview
| Coordinates | 7003090.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis(phenylbisperfluorovinylphosphine)palladium(II) bromide |
|---|---|
| Formula | C20 H10 Br2 F12 P2 Pd |
| Calculated formula | C20 H10 Br2 F12 P2 Pd |
| SMILES | C(=C(F)F)(F)[P](C(=C(F)F)F)(c1ccccc1)[Pd](Br)([P](C(=C(F)F)F)(C(=C(F)F)F)c1ccccc1)Br |
| Title of publication | The coordination chemistry of perfluorovinyl substituted phosphine ligands, a crystallographic and spectroscopic study. Co-crystallisation of both cis- and trans-isomers of [PtCl2{PiPr2(CFCF2)}2] within the same unit cell |
| Authors of publication | Barnes, Nicholas A.; Brisdon, Alan K.; Brown, F. R. William; Cross, Wendy I.; Herbert, Christopher J.; Pritchard, Robin G.; Sadiq, Ghazala |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 1 |
| Pages of publication | 101 |
| a | 9.105 ± 0.002 Å |
| b | 10.013 ± 0.001 Å |
| c | 7.87 ± 0.001 Å |
| α | 109.062 ± 0.01° |
| β | 102.91 ± 0.02° |
| γ | 99.26 ± 0.02° |
| Cell volume | 639.4 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0864 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1562 |
| Weighted residual factors for all reflections included in the refinement | 0.1745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179734 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/30. |
7003090.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003090.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003090.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003090.cif |
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