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Information card for entry 4083820
Preview
| Coordinates | 4083820.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H43 I N4 O2 P2 Pd |
|---|---|
| Calculated formula | C22 H43 I N4 O2 P2 Pd |
| SMILES | I[Pd]12[P](Oc3c2c(O[P]1(N(CC)CC)N(CC)CC)ccc3)(N(CC)CC)N(CC)CC |
| Title of publication | PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route |
| Authors of publication | Kimura, Tsutomu; Uozumi, Yasuhiro |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 20 |
| Pages of publication | 4883 |
| a | 32.95 ± 0.007 Å |
| b | 10.67 ± 0.002 Å |
| c | 16.74 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5885 ± 2 Å3 |
| Cell temperature | 173.1 K |
| Number of distinct elements | 7 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4083820.cif |
| 118756 | 2014-06-30 | cif/ Adding structures of 4083814, 4083815, 4083816, 4083817, 4083818, 4083819, 4083820 via cif-deposit CGI script. |
4083820.cif |
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Users of the data should acknowledge the original authors of the
structural data.