Information card for entry 4064238

Structure parameters

• Formula: C62 H66.5 B9 Cl4 N2 O4.25 P2 Rh
• Calculated formula: C62 H66.5 B9 Cl4 N2 O4.25 P2 Rh
• Title of publication: New Rhodacarborane−Phosphoramidite Catalyst System for Enantioselective Hydrogenation of Functionalized Olefins and Molecular Structure of the Chiral Catalyst Precursor [3,3-{(S)-PipPhos}2-3-H-1,2-(o-xylylene)-closo-3,1,2-RhC2B9H9]
• Authors of publication: Alekseev, Leonid S.; Lyubimov, Sergey E.; Dolgushin, Fedor M.; Novikov, Valentin V.; Davankov, Vadim A.; Chizhevsky, Igor T.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 1942
• a: 14.1963 ± 0.0019 Å
• b: 16.434 ± 0.002 Å
• c: 27.847 ± 0.004 Å
• α: 90°
• β: 94.117 ± 0.003°
• γ: 90°
• Cell volume: 6480 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No