Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4063268
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4063268.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H60 B N2 P Pd |
---|---|
Calculated formula | C57 H60 B N2 P Pd |
Title of publication | Phosphine- and Pyridine-Functionalized N-Heterocyclic Carbene Methyl and Allyl Complexes of Palladium. Unexpected Regiospecificity of the Protonation Reaction of the Dimethyl Complexes |
Authors of publication | Andreas A. Danopoulos; Nikolaos Tsoureas; Stuart A. Macgregor; Christopher Smith |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Pages of publication | 253 - 263 |
a | 16.07 ± 0.003 Å |
b | 16.422 ± 0.003 Å |
c | 19.758 ± 0.004 Å |
α | 90° |
β | 112.77 ± 0.03° |
γ | 90° |
Cell volume | 4808 ± 1.9 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0618 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.0829 |
Weighted residual factors for all reflections included in the refinement | 0.0897 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4063268.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.