Information card for entry 4080087

Structure parameters

• Common name: 1642x2 ww magr161a (R,SFc,RFc)-16
• Chemical name: (S~Fc~)-2-{(R)-1-Bis[3,5-bis(trifluoromethyl)phenyl]phosphinoethyl}- (R~Fc~)-2''-diphenylphosphino-1,1''-biferrocene
• Formula: C50 H36 F12 Fe2 P2
• Calculated formula: C50 H36 F12 Fe2 P2
• 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: 9.7275 ± 0.0004 Å
• b: 9.967 ± 0.0005 Å
• c: 46.626 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4520.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0256
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No