Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4079703
Preview
| Coordinates | 4079703.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H44 Cl16 O10 P2 Pd S2 |
|---|---|
| Calculated formula | C48 H44 Cl16 O10 P2 Pd S2 |
| SMILES | c1c(c(ccc1)OC)[P]1(c2c(cccc2)OC)[Pd]2(OS(=O)(=O)c3c1cccc3)OS(=O)(=O)c1c(cccc1)[P]2(c1c(cccc1)OC)c1c(OC)cccc1.C(C(Cl)Cl)(Cl)Cl.ClC(Cl)C(Cl)Cl.C(C(Cl)Cl)(Cl)Cl.C(C(Cl)Cl)(Cl)Cl |
| Title of publication | Activation and Deactivation of Neutral Palladium(II) Phosphinesulfonato Polymerization Catalysts |
| Authors of publication | R Thomas; Tritschler, Ulrich; Roesle, Philipp; Göttker-Schnetmann, Inigo; Müller, Heiko M.; Caporaso, Lucia; Poater, Albert; Cavallo, Luigi; Mecking, Stefan |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 23 |
| Pages of publication | 8388 |
| a | 25.0992 ± 0.0016 Å |
| b | 11.8473 ± 0.0005 Å |
| c | 21.5097 ± 0.0014 Å |
| α | 90° |
| β | 99.928 ± 0.005° |
| γ | 90° |
| Cell volume | 6300.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Weighted residual factors for all reflections included in the refinement | 0.1132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178686 (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 4/07/97. |
4079703.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4079703.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079703.cif |
| 72532 | 2013-01-21 | cif/ Adding structures of 4079702, 4079703, 4079704, 4079705 via cif-deposit CGI script. |
4079703.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.