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Information card for entry 4063557
Preview
| Coordinates | 4063557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | in paper 7a |
|---|---|
| Formula | C29 H27 B F3 N2 P Pd |
| Calculated formula | C29 H27 B F3 N2 P Pd |
| SMILES | [Pd]([P](c1c(cccc1)[B](F)(F)F)(c1ccccc1)c1ccccc1)([n]1ccccc1)([n]1ccccc1)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 | 17.3625 ± 0.0005 Å |
| b | 10.1672 ± 0.0005 Å |
| c | 31.5144 ± 0.0015 Å |
| α | 90° |
| β | 103.526 ± 0.0017° |
| γ | 90° |
| Cell volume | 5408.9 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1284 |
| Residual factor for significantly intense reflections | 0.1076 |
| Weighted residual factors for significantly intense reflections | 0.3034 |
| Weighted residual factors for all reflections included in the refinement | 0.3071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.239 |
| 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. |
4063557.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063557.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063557.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. |
4063557.cif |
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Users of the data should acknowledge the original authors of the
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