Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4319899
Preview
Coordinates | 4319899.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H37 B F4 Fe P2 Pd |
---|---|
Calculated formula | C39 H37 B F4 Fe P2 Pd |
Title of publication | An X-ray Study of the Effect of the Bite Angle of Chelating Ligands on the Geometry of Palladium(allyl) Complexes: Implications for the Regioselectivity in the Allylic Alkylation |
Authors of publication | Richard J. van Haaren; Kees Goubitz; Jan Fraanje; Gino P. F. van Strijdonck; Henk Oevering; Betty Coussens; Joost N. H. Reek; Paul C. J. Kamer; Piet W. N. M. van Leeuwen |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 3363 - 3372 |
a | 15.827 ± 0.003 Å |
b | 13.067 ± 0.002 Å |
c | 18.267 ± 0.003 Å |
α | 90° |
β | 108.01 ± 0.01° |
γ | 90° |
Cell volume | 3592.7 ± 1.1 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 7 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.07 |
Residual factor for significantly intense reflections | 0.067 |
Weighted residual factors for all reflections | 0.082 |
Weighted residual factors for all reflections included in the refinement | 0.08 |
Goodness-of-fit parameter for all reflections | 1.203 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.211 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4319899.html
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.