Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4075691
Preview
| Coordinates | 4075691.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H39 I O P2 Pd |
|---|---|
| Calculated formula | C44 H39.25 I O P2 Pd |
| Title of publication | Investigations of Benzyl and Aryl Palladium Complexes with Pendant Hydroxy Substituents and Their Transformation into Benzolactones on Carbonylation |
| Authors of publication | Lindsell, W. Edward; Palmer, Daniel D.; Preston, Peter N.; Rosair, Georgina M.; Jones, Ray V. H.; Whitton, Alan J. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 6 |
| Pages of publication | 1119 |
| a | 10.848 ± 0.002 Å |
| b | 14.295 ± 0.003 Å |
| c | 24.476 ± 0.005 Å |
| α | 75.34 ± 0.02° |
| β | 88.9 ± 0.02° |
| γ | 89.17 ± 0.02° |
| Cell volume | 3671.1 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.126 |
| Residual factor for significantly intense reflections | 0.1129 |
| Weighted residual factors for significantly intense reflections | 0.2677 |
| Weighted residual factors for all reflections included in the refinement | 0.2702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.438 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178645 (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 4/07/56. |
4075691.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075691.cif |
| 50621 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075685, 4075686, 4075687, 4075688, 4075689, 4075690, 4075691, 4075692 via cif-deposit CGI script. |
4075691.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.