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Information card for entry 4072756
Preview
| Coordinates | 4072756.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H38 F2 N6 O4 Pd |
|---|---|
| Calculated formula | C38 H38 F2 N6 O4 Pd |
| SMILES | C12N(C=CN1CC(=O)N([Pd]1=2=C2N(C=CN2CC(=O)N1c1ccccc1)Cc1ccc(cc1)F)c1ccccc1)Cc1ccc(cc1)F.OC.OC |
| Title of publication | Nonchelate and Chelate Complexes of Palladium(II) with N-Heterocyclic Carbene Ligands of Amido Functionality |
| Authors of publication | Liao, Chuang-Yi; Chan, Kai-Ting; Zeng, Jing-Yao; Hu, Ching-Han; Tu, Cheng-Yi; Lee, Hon Man |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 7 |
| Pages of publication | 1692 |
| a | 10.9128 ± 0.0003 Å |
| b | 17.8089 ± 0.0005 Å |
| c | 9.3293 ± 0.0003 Å |
| α | 90° |
| β | 110.505 ± 0.002° |
| γ | 90° |
| Cell volume | 1698.23 ± 0.09 Å3 |
| Cell temperature | 396 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0716 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178616 (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 4/07/27. |
4072756.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072756.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072756.cif |
| 45983 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072752, 4072753, 4072754, 4072755, 4072756, 4072757, 4072758, 4072759, 4072760, 4072761 via cif-deposit CGI script. |
4072756.cif |
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Users of the data should acknowledge the original authors of the
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