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Information card for entry 4070219
Preview
| Coordinates | 4070219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H74 Cl6 P2 Pd |
|---|---|
| Calculated formula | C52 H74 Cl6 P2 Pd |
| SMILES | C1C(c2cc(cc(c2[P@@]1(Cc1ccccc1)[Pd]([P@@]1(CC(c2cc(cc(c12)C(C)(C)C)C(C)(C)C)(C)C)Cc1ccccc1)(Cl)Cl)C(C)(C)C)C(C)(C)C)(C)C.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Platinum(0)-Catalyzed Intramolecular Addition of a C−H Bond onto the P═C Bond of a Phosphaalkene |
| Authors of publication | Houdard, Romaric; Mézailles, Nicolas; Le Goff, Xavier-Frederic; Le Floch, Pascal |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 20 |
| Pages of publication | 5952 |
| a | 16.311 ± 0.001 Å |
| b | 17.109 ± 0.001 Å |
| c | 19.404 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5415 ± 0.5 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0985 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.918 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178591 (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 4/07/02. |
4070219.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070219.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070219.cif |
| 40638 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070219 via cif-deposit CGI script. |
4070219.cif |
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Users of the data should acknowledge the original authors of the
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