Information card for entry 4070883

Structure parameters

• Common name: yw241 (R,Rp)-1f
• Formula: C95 H63 Cl7 F30 Fe2 P4 Pd2
• Calculated formula: C95 H63 Cl7 F30 Fe2 P4 Pd2
• SMILES: [Pd]1(Cl)(Cl)[P](c2c([c]34[cH]5[Fe]6789%10%113([c]4([cH]6[cH]57)[C@H]([P]1(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)[cH]1[cH]8[cH]9[cH]%10[cH]%111)ccc(c2)C(F)(F)F)(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: 12.3737 ± 0.0004 Å
• b: 26.457 ± 0.0007 Å
• c: 29.0299 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9503.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No