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Information card for entry 4065086
Preview
Coordinates | 4065086.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1455 rasc457 [PdCl~2~((4S,1'R,R~Fc~)-19)].CHCl~3~ |
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Chemical name | Dichloro[(4S,1'R,R~Fc~)-2-(4,5-dihydro-4-phenyloxazol-2-yl)-1- [1-(diphenylphosphino)ethyl]-ferrocene-N,P]palladium chloroform solvate |
Formula | C34 H31 Cl5 Fe N O P Pd |
Calculated formula | C34 H31 Cl5 Fe N O P Pd |
SMILES | [Pd]1(Cl)(Cl)[P]([C@@H]([c]23[Fe]456789%10([c]2([cH]4[cH]5[cH]36)C2OC[C@@H]([N]1=2)c1ccccc1)[cH]1[cH]7[cH]8[cH]9[cH]%101)C)(c1ccccc1)c1ccccc1.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 | 12.171 ± 0.0003 Å |
b | 10.8958 ± 0.0002 Å |
c | 13.1311 ± 0.0003 Å |
α | 90° |
β | 102.759 ± 0.001° |
γ | 90° |
Cell volume | 1698.35 ± 0.07 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 | 0.0247 |
Residual factor for significantly intense reflections | 0.023 |
Weighted residual factors for significantly intense reflections | 0.0541 |
Weighted residual factors for all reflections included in the refinement | 0.0549 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/4065086.html
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