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Information card for entry 4072386
Preview
| Coordinates | 4072386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | kjc0701 |
|---|---|
| Formula | C33 H60 B F4 N2 P Pd |
| Calculated formula | C33 H60 B F4 N2 P Pd |
| SMILES | C1(N(C(=C(C)N1C(C)C)C)C(C)C)=[Pd]12(C[C]1(=[CH2]2)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[B](F)(F)(F)[F-] |
| Title of publication | Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity |
| Authors of publication | Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 24 |
| Pages of publication | 6507 |
| a | 15.22 ± 0.0003 Å |
| b | 12.327 ± 0.0003 Å |
| c | 19.148 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3592.49 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0695 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1289 |
| Weighted residual factors for all reflections included in the refinement | 0.145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178612 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/23. |
4072386.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072386.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072386.cif |
| 44392 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072386 via cif-deposit CGI script. |
4072386.cif |
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Users of the data should acknowledge the original authors of the
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