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Information card for entry 4069771
Preview
| Coordinates | 4069771.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H47 I N O2 P3 Ru |
|---|---|
| Calculated formula | C35 H47 I N O2 P3 Ru |
| SMILES | I[RuH]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[P](Oc3[n]2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C |
| Title of publication | Formation of Stabletrans-Dihydride Ruthenium(II) and 16-Electron Ruthenium(0) Complexes Based on Phosphinite PONOP Pincer Ligands. Reactivity toward Water and Electrophiles |
| Authors of publication | Salem, Hiyam; Shimon, Linda J. W.; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 16 |
| Pages of publication | 4791 |
| a | 10.5766 ± 0.0001 Å |
| b | 20.0712 ± 0.0002 Å |
| c | 16.7977 ± 0.0001 Å |
| α | 90° |
| β | 90.053 ± 0.001° |
| γ | 90° |
| Cell volume | 3565.9 ± 0.05 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178586 (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 4/06/97. |
4069771.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069771.cif |
| 40439 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069769, 4069770, 4069771, 4069772, 4069773, 4069774, 4069775, 4069776 via cif-deposit CGI script. |
4069771.cif |
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Users of the data should acknowledge the original authors of the
structural data.