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Information card for entry 4083817
Preview
| Coordinates | 4083817.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H23 I O2 P2 Pd |
|---|---|
| Calculated formula | C14 H23 I O2 P2 Pd |
| SMILES | I[Pd]12[P](Oc3c2c(O[P]1(CC)CC)ccc3)(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 | 29.0236 ± 0.0011 Å |
| b | 14.3539 ± 0.0007 Å |
| c | 13.7154 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5713.9 ± 0.5 Å3 |
| Cell temperature | 173.1 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for all reflections included in the refinement | 0.037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.544 |
| 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. |
4083817.cif |
| 118756 | 2014-06-30 | cif/ Adding structures of 4083814, 4083815, 4083816, 4083817, 4083818, 4083819, 4083820 via cif-deposit CGI script. |
4083817.cif |
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Users of the data should acknowledge the original authors of the
structural data.