Information card for entry 4133611

Structure parameters

• Formula: C37 H35 Cl F3 Fe O4 P3 Pt S
• Calculated formula: C37 H35 Cl F3 Fe O4 P3 Pt S
• Title of publication: Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.
• Authors of publication: Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 50
• Pages of publication: 17782 - 17789
• a: 10.9388 ± 0.0019 Å
• b: 12.077 ± 0.003 Å
• c: 15.114 ± 0.005 Å
• α: 88.291 ± 0.007°
• β: 74.307 ± 0.011°
• γ: 79.727 ± 0.009°
• Cell volume: 1891.1 ± 0.9 ų
• Cell temperature: 221 K
• Ambient diffraction temperature: 221 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No