Information card for entry 4515769

Structure parameters

• Formula: C67.84 H95.68 Bi N4 O17.96 Rh S4
• Calculated formula: C67.84 H95.68 Bi N4 O17.96 Rh S4
• Title of publication: Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth‒Rhodium- and Dirhodium-Catalyzed Carbene Chemistry
• Authors of publication: Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. L.
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 10676
• a: 22.2169 ± 0.0005 Å
• b: 22.2169 ± 0.0005 Å
• c: 10.9063 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5383.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No