Information card for entry 4082969

Structure parameters

• Common name: 1573 yw32-2 (R,S~Fc~,S~Fc~)-6 xx3
• Chemical name: (R,S~Fc~,S~Fc~)-2-[1-(N,N-Dimethylamino)ethyl]-2''-diphenylphosphino- 1,1''-biferrocene, (R,S~Fc~,S~Fc~)-6
• Formula: C36 H36 Fe2 N P
• Calculated formula: C36 H36 Fe2 N P
• SMILES: [Fe]12345678([c]9([c]1([cH]2[cH]3[cH]49)[C@H](N(C)C)C)[c]12[Fe]349%10%11%12%13([c]1(P(c1ccccc1)c1ccccc1)[cH]3[cH]4[cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Walphos versus Biferrocene-Based Walphos Analogues in the Asymmetric Hydrogenation of Alkenes and Ketones.
• Authors of publication: Zirakzadeh, Afrooz; Groß, Manuela A; Wang, Yaping; Mereiter, Kurt; Weissensteiner, Walter
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 1945 - 1952
• a: 7.3616 ± 0.0003 Å
• b: 18.1714 ± 0.0007 Å
• c: 22.4087 ± 0.0009 Å
• α: 90°
• β: 99.319 ± 0.002°
• γ: 90°
• Cell volume: 2958.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No