Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4065124
Preview
Coordinates | 4065124.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H42 Cl6 Fe P2 Pd |
---|---|
Calculated formula | C36 H42 Cl6 Fe P2 Pd |
SMILES | [Pd]1([P]([c]23[c]4([Fe]56789%102([cH]3[cH]5[cH]46)[cH]2[cH]%10[cH]9[cH]8[cH]72)[C@H]([P@H]1C12CC3CC(C1)CC(C2)C3)C)(c1ccccc1)c1ccccc1)(Cl)Cl.ClCCl.ClCCl |
Title of publication | Secondary Ferrocenyl Phosphines: Versatile Precursors for the Synthesis of Bi- and Tridentate Ligands |
Authors of publication | Buergler, Jonas F.; Togni, Antonio |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 17 |
Pages of publication | 4742 |
a | 10.076 ± 0.0016 Å |
b | 14.598 ± 0.002 Å |
c | 14.085 ± 0.002 Å |
α | 90° |
β | 110.273 ± 0.003° |
γ | 90° |
Cell volume | 1943.4 ± 0.5 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.05 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1164 |
Weighted residual factors for all reflections included in the refinement | 0.1182 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4065124.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.