Information card for entry 4125728

Structure parameters

• Formula: C80 H57 Cl5 Mn2 O4 P4 Rh2
• Calculated formula: C79.5 H77 Cl5 Mn2 O4 P4 Rh2
• Title of publication: Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.
• Authors of publication: Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 4
• Pages of publication: 1545 - 1553
• a: 15.724 ± 0.003 Å
• b: 15.989 ± 0.003 Å
• c: 17.291 ± 0.004 Å
• α: 88.888 ± 0.011°
• β: 75.797 ± 0.008°
• γ: 65.447 ± 0.007°
• Cell volume: 3816.4 ± 1.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No