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Information card for entry 4063843
Preview
| Coordinates | 4063843.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H76 O5 P2 Pd2 Si4 |
|---|---|
| Calculated formula | C61 H76 O5 P2 Pd2 Si4 |
| SMILES | C12CC(c3c(c(cc(c3)C)[P](c3ccccc3)(c3ccccc3)[Pd]345[CH]=[CH]3[Si](C)(C)O[Si]([CH]5=[CH]4)(C)C)O1)c1cc(cc(c1O2)[P](c1ccccc1)(c1ccccc1)[Pd]123[CH]=[CH]1[Si](C)(C)O[Si]([CH]3=[CH]2)(C)C)C.C(C)OCC |
| Title of publication | Large P−P Distance Diphosphines and Their Monophosphine Analogues as Ligands in the Palladium-Catalyzed Telomerization of 1,3-Butadiene and Methanol |
| Authors of publication | Tschan, Mathieu J.-L.; López-Valbuena, Josep-Maria; Freixa, Zoraida; Launay, Hélène; Hagen, Henk; Benet-Buchholz, Jordi; van Leeuwen, Piet W. N. M. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 4 |
| Pages of publication | 792 |
| a | 12.7227 ± 0.0012 Å |
| b | 16.2724 ± 0.0016 Å |
| c | 17.4273 ± 0.0019 Å |
| α | 101.032 ± 0.005° |
| β | 106.697 ± 0.005° |
| γ | 105.473 ± 0.006° |
| Cell volume | 3187.1 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1524 |
| Residual factor for significantly intense reflections | 0.0818 |
| Weighted residual factors for significantly intense reflections | 0.1937 |
| Weighted residual factors for all reflections included in the refinement | 0.2328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178533 (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 4/06/38. |
4063843.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063843.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063843.cif |
| 32692 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4063843, 4063844 via cif-deposit CGI script. |
4063843.cif |
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