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Information card for entry 4072692
Preview
| Coordinates | 4072692.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H24 Cl4 N6 Pd |
|---|---|
| Calculated formula | C16 H24 Cl4 N6 Pd |
| SMILES | c1n(CCCC#N)c[n+](c1)C.[Pd](Cl)(Cl)([Cl-])[Cl-].c1n(cc[n+]1C)CCCC#N |
| Title of publication | Development of Nitrile-Functionalized Ionic Liquids for C−C Coupling Reactions: Implication of Carbene and Nanoparticle Catalysts |
| Authors of publication | Fei, Zhaofu; Zhao, Dongbin; Pieraccini, Daniela; Ang, Wee Han; Geldbach, Tilmann J.; Scopelliti, Rosario; Chiappe, Cinzia; Dyson, Paul J. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 7 |
| Pages of publication | 1588 |
| a | 14.3813 ± 0.0014 Å |
| b | 10.8029 ± 0.0008 Å |
| c | 14.5861 ± 0.0012 Å |
| α | 90° |
| β | 100.679 ± 0.013° |
| γ | 90° |
| Cell volume | 2226.8 ± 0.3 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0322 |
| Residual factor for significantly intense reflections | 0.0219 |
| Weighted residual factors for significantly intense reflections | 0.0474 |
| Weighted residual factors for all reflections included in the refinement | 0.0494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178615 (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 4/07/26. |
4072692.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072692.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072692.cif |
| 45955 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072687, 4072688, 4072689, 4072690, 4072691, 4072692, 4072693, 4072694, 4072695 via cif-deposit CGI script. |
4072692.cif |
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Users of the data should acknowledge the original authors of the
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