Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4066709
Preview
| Coordinates | 4066709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H30 Cl F6 N4 P Pd2 |
|---|---|
| Calculated formula | C28 H30 Cl F6 N4 P Pd2 |
| SMILES | [P](F)(F)(F)(F)(F)[F-].c12[n]3c(c4cccc[n]4[Pd]3(CC[C@H]2C)[Cl][Pd]23[n]4c(c5cccc([n]25)[C@@H](CC3)C)cccc4)ccc1.[P](F)(F)(F)(F)(F)[F-].c12[n]3c(c4cccc[n]4[Pd]3(CC[C@@H]2C)[Cl][Pd]23[n]4c(c5cccc([n]25)[C@H](CC3)C)cccc4)ccc1 |
| Title of publication | Addressing the Poly- to Oligo-ketone Selectivity in Styrene Carbonylation Catalyzed by Palladium/bpy Complexes. Effect of the 6-Alkyl Substitution |
| Authors of publication | D’Amora, Angela; Fanfoni, Lidia; Cozzula, Daniela; Guidolin, Nicol; Zangrando, Ennio; Felluga, Fulvia; Gladiali, Serafino; Benedetti, Fabio; Milani, Barbara |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 20 |
| Pages of publication | 4472 |
| a | 10.868 ± 0.003 Å |
| b | 16.494 ± 0.004 Å |
| c | 16.664 ± 0.004 Å |
| α | 90° |
| β | 93.66 ± 0.02° |
| γ | 90° |
| Cell volume | 2981 ± 1.3 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 | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0681 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1652 |
| Weighted residual factors for all reflections included in the refinement | 0.1717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 1 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178559 (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 4/06/67. |
4066709.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066709.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066709.cif |
| 33966 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066705, 4066706, 4066707, 4066708, 4066709, 4066710 via cif-deposit CGI script. |
4066709.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.