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Information card for entry 7015803
Preview
| Coordinates | 7015803.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H23 Cl2 F2 P Pd |
|---|---|
| Calculated formula | C33 H23 Cl2 F2 P Pd |
| SMILES | [Pd](=C1C(=C1c1ccc(F)cc1)c1ccc(F)cc1)(Cl)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction. |
| Authors of publication | Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 19 |
| Pages of publication | 5316 - 5323 |
| a | 9.9931 ± 0.0006 Å |
| b | 14.9088 ± 0.0009 Å |
| c | 18.2358 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2716.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.0691 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71074 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179862 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/58. |
7015803.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015803.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015803.cif |
| 21351 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015796, 7015797, 7015798, 7015799, 7015800, 7015801, 7015802, 7015803, 7015804 via cif-deposit CGI script. |
7015803.cif |
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Users of the data should acknowledge the original authors of the
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