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Information card for entry 4063560
Preview
| Coordinates | 4063560.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H49 B Cl F3 K O7 P Pd |
|---|---|
| Calculated formula | C35 H49 B Cl F3 K O7 P Pd |
| SMILES | [B]1([F]2)([F][Pd](C)([P](c3ccccc3)(c3ccccc3)c3ccccc13)Cl)[F][K]213456[O]2CC[O]1CC[O]3CC[O]4CC[O]5CC[O]6CC2.O1CCCC1 |
| 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 | 8.6347 ± 0.0018 Å |
| b | 10.183 ± 0.002 Å |
| c | 21.685 ± 0.005 Å |
| α | 88.88 ± 0.004° |
| β | 88.417 ± 0.004° |
| γ | 80.507 ± 0.004° |
| Cell volume | 1879.7 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0484 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1074 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4063560.cif |
| 265253 | 2021-05-16 | cif/4 Fixing Z values and formulae |
4063560.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. |
4063560.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063560.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063560.cif |
| 24994 | 2011-09-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4063559, 4063560, 4063561, 4063562 via cif-deposit CGI script. |
4063560.cif |
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Users of the data should acknowledge the original authors of the
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