Information card for entry 4070882

Structure parameters

• Common name: (S,Rp)-1d
• Formula: C43 H37 Cl5 Fe P2 Pd
• Calculated formula: C43 H37 Cl5 Fe P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2c([c]34[Fe]56789%10%11([c]3([cH]5[cH]6[cH]47)[C@@H]([P]1(c1ccccc1)c1ccccc1)C)[cH]1[cH]%11[cH]%10[cH]9[cH]81)cccc2)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: Synthesis, Coordination Behavior, and Use in Asymmetric Hydrogenations of Walphos-Type Ligands
• Authors of publication: Wang, Yaping; Sturm, Thomas; Steurer, Marianne; Arion, Vladimir B.; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1119
• a: 11.566 ± 0.003 Å
• b: 11.258 ± 0.003 Å
• c: 15.813 ± 0.005 Å
• α: 90°
• β: 98.68 ± 0.01°
• γ: 90°
• Cell volume: 2035.4 ± 1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0229
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No