Information card for entry 4082970

Structure parameters

• Common name: 1651 (R,S~Fc~,S~Fc~)-7
• Chemical name: (R,S~Fc~,S~Fc~)-2-[1-(N,N-Dimethylamino)ethyl]-2''-diphenylphosphinyl- 1,1''-biferrocene, (R,S~Fc~,S~Fc~)-7
• Formula: C36 H36 Fe2 N O P
• Calculated formula: C36 H36 Fe2 N O P
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[c]19[C@H](N(C)C)C)[c]12[cH]3[Fe]49%10%11%12%131([c]2(P(=O)(c1ccccc1)c1ccccc1)[cH]4[cH]39)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[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: 10.4728 ± 0.0004 Å
• b: 8.1019 ± 0.0003 Å
• c: 17.7567 ± 0.0006 Å
• α: 90°
• β: 100.508 ± 0.002°
• γ: 90°
• Cell volume: 1481.38 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0197
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No