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Information card for entry 4063559
Preview
| Coordinates | 4063559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H42 B F3 K O6.5 P |
|---|---|
| Calculated formula | C32 H42 B F3 K O6.5 P |
| SMILES | B(F)([F]1)(c2ccccc2P(c2ccccc2)c2ccccc2)[F][K]123456[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC1.C1CCCO1 |
| Title of publication | Synthesis, Structures, and Ethylene Dimerization Reactivity of Palladium Alkyl Complexes That Contain a Chelating Phosphine‒Trifluoroborate Ligand |
| Authors of publication | Kim, Youngmin; Jordan, Richard F. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 16 |
| Pages of publication | 4250 |
| a | 36.57 ± 0.006 Å |
| b | 9.577 ± 0.0015 Å |
| c | 19.945 ± 0.003 Å |
| α | 90° |
| β | 107.141 ± 0.003° |
| γ | 90° |
| Cell volume | 6675.1 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0555 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.1047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265253 (current) | 2021-05-16 | cif/4 Fixing Z values and formulae |
4063559.cif |
| 178530 | 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. |
4063559.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063559.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063559.cif |
| 24994 | 2011-09-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4063559, 4063560, 4063561, 4063562 via cif-deposit CGI script. |
4063559.cif |
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Users of the data should acknowledge the original authors of the
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