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Information card for entry 4064992
Preview
| Coordinates | 4064992.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H37 N3 O3 Pd S |
|---|---|
| Calculated formula | C29 H37 N3 O3 Pd S |
| SMILES | c12ccccc1N1CCN(C1=[Pd](C)([n]1c(cccc1C)C)OS2(=O)=O)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Synthesis,cis/transIsomerization, and Reactivity of Palladium Alkyl Complexes That Contain a Chelating N-Heterocyclic-Carbene Sulfonate Ligand |
| Authors of publication | Zhou, Xiaoyuan; Jordan, Richard F. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 17 |
| Pages of publication | 4632 |
| a | 13.07 ± 0.005 Å |
| b | 14.75 ± 0.006 Å |
| c | 16.715 ± 0.006 Å |
| α | 108.524 ± 0.007° |
| β | 96.16 ± 0.008° |
| γ | 90.142 ± 0.008° |
| Cell volume | 3035 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.109 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1056 |
| Weighted residual factors for all reflections included in the refinement | 0.1184 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.87 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178543 (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 4/06/49. |
4064992.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064992.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064992.cif |
| 33125 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064990, 4064991, 4064992, 4064993, 4064994, 4064995, 4064996, 4064997 via cif-deposit CGI script. |
4064992.cif |
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Users of the data should acknowledge the original authors of the
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