Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4065087
Preview
Coordinates | 4065087.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1452 RASC455 [PdCl~2~((4R,1'R,R~Fc~)-19)].2(CHCl~3~) |
---|---|
Chemical name | Dichloro[(4R,1'R,R~Fc~)-2-(4,5-dihydro-4-phenyloxazol-2-yl)-1- [1-(diphenylphosphino)ethyl]-ferrocene-N,P]palladium bis(chloroform) solvate |
Formula | C35 H32 Cl8 Fe N O P Pd |
Calculated formula | C35 H32 Cl8 Fe N O P Pd |
SMILES | [Pd]1(Cl)(Cl)[P]([C@@H]([c]23[cH]4[Fe]56789%102([c]3([cH]5[cH]46)C2OC[C@H]([N]1=2)c1ccccc1)[cH]1[cH]%10[cH]9[cH]8[cH]71)C)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Synthesis, Coordination Behavior, and Structural Features of Chiral Amino-, Pyrazolyl-, and Phosphino-Substituted Ferrocenyloxazolines and Their Application in Asymmetric Hydrogenations |
Authors of publication | Schuecker, Raffael; Zirakzadeh, Afrooz; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 17 |
Pages of publication | 4711 |
a | 9.3635 ± 0.0001 Å |
b | 16.4396 ± 0.0002 Å |
c | 13.0475 ± 0.0002 Å |
α | 90° |
β | 107.376 ± 0.001° |
γ | 90° |
Cell volume | 1916.78 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0195 |
Residual factor for significantly intense reflections | 0.0191 |
Weighted residual factors for significantly intense reflections | 0.0479 |
Weighted residual factors for all reflections included in the refinement | 0.0481 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/4065087.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.