Information card for entry 4133610

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: 12.02 ± 0.004 Å
• b: 14.966 ± 0.004 Å
• c: 21.674 ± 0.007 Å
• α: 74.877 ± 0.011°
• β: 79.712 ± 0.018°
• γ: 89.614 ± 0.012°
• Cell volume: 3700 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0448
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No