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Information card for entry 7031297
Preview
| Coordinates | 7031297.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H27 Cl N2 Pd S |
|---|---|
| Calculated formula | C36 H27 Cl N2 Pd S |
| SMILES | [Pd]12(Cl)[S](CC3(N4C=1N(c1ccccc41)C1(C2)c2ccccc2c2ccccc12)c1ccccc1c1ccccc31)C |
| Title of publication | Directional properties of fluorenylidene moieties in unsymmetrically substituted N-heterocyclic carbenes. Unexpected CH activation of a methylfluorenyl group with palladium. Use in palladium catalysed Suzuki-Miyaura cross coupling of aryl chlorides. |
| Authors of publication | Teci, Matthieu; Brenner, Eric; Matt, Dominique; Gourlaouen, Christophe; Toupet, Loïc |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 32 |
| Pages of publication | 12251 - 12262 |
| a | 14.5752 ± 0.0003 Å |
| b | 19.1704 ± 0.0004 Å |
| c | 22.602 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6315.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0703 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0916 |
| Weighted residual factors for all reflections included in the refinement | 0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.866 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180018 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/12. |
7031297.cif |
| 121714 | 2014-08-08 | cif/ Updating files of 7031296, 7031297 Original log message: Adding full bibliography for 7031296--7031297.cif. |
7031297.cif |
| 116350 | 2014-06-10 | cif/ Adding structures of 7031296, 7031297 via cif-deposit CGI script. |
7031297.cif |
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