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Information card for entry 4080089
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Coordinates | 4080089.cif |
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Original paper (by DOI) | HTML |
Common name | 1595 ww magr114 [PdCl2(12)].C7H8.1/2(H2O) |
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Chemical name | Dichloro-{(S~Fc~)-2-[(R)-1-diphenylphosphinoethyl-κP]- (R~Fc~)-2''-diphenylphosphino-?P-1,1''-biferrocene} palladium(II) toluene monosolvate hemihydrate |
Formula | C53 H49 Cl2 Fe2 O0.5 P2 Pd |
Calculated formula | C53 H48 Cl2 Fe2 O0.3655 P2 Pd |
Title of publication | Biferrocene-Based Diphosphine Ligands: Synthesis and Application of Walphos Analogues in Asymmetric Hydrogenations |
Authors of publication | Zirakzadeh, Afrooz; Groß, Manuela A.; Wang, Yaping; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 4 |
Pages of publication | 1075 |
a | 11.2688 ± 0.0004 Å |
b | 14.6804 ± 0.0005 Å |
c | 15.1107 ± 0.0004 Å |
α | 109.367 ± 0.002° |
β | 90.523 ± 0.002° |
γ | 104.076 ± 0.002° |
Cell volume | 2276.47 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0246 |
Residual factor for significantly intense reflections | 0.0231 |
Weighted residual factors for significantly intense reflections | 0.0568 |
Weighted residual factors for all reflections included in the refinement | 0.0581 |
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 |
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