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Information card for entry 4063558
Preview
| Coordinates | 4063558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | in paper 9c |
|---|---|
| Formula | C20 H30 B F3 N P Pd |
| Calculated formula | C20 H30 B F3 N P Pd |
| SMILES | [Pd]([P](c1c(cccc1)[B](F)(F)F)(C(C)C)C(C)C)([n]1c(cccc1C)C)C |
| Title of publication | Dimerization of Ethylene by Palladium Complexes Containing Bidentate Trifluoroborate-Functionalized Phosphine Ligands |
| Authors of publication | Gott, Andrew L.; Piers, Warren E.; Dutton, Jason L.; McDonald, Robert; Parvez, Masood |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 16 |
| Pages of publication | 4236 |
| a | 13.7046 ± 0.0003 Å |
| b | 8.4467 ± 0.0001 Å |
| c | 18.5279 ± 0.0005 Å |
| α | 90° |
| β | 92.886 ± 0.0009° |
| γ | 90° |
| Cell volume | 2142.04 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0351 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.0675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178530 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/35. |
4063558.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063558.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063558.cif |
| 24978 | 2011-09-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4063551, 4063552, 4063553, 4063554, 4063555, 4063556, 4063557, 4063558 via cif-deposit CGI script. |
4063558.cif |
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Users of the data should acknowledge the original authors of the
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