Information card for entry 4133609

Structure parameters

• Formula: C33 H35 Cl F3 Fe O8 P3 Pt S
• Calculated formula: C33 H35 Cl F3 Fe O8 P3 Pt S
• SMILES: [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[P]([Pt](Cl)([P]([c]15[cH]6[cH]7[cH]8[cH]91)(c1ccc(C)o1)c1ccc(C)o1)[P](O)(C)C)(c1ccc(C)o1)c1ccc(C)o1.O=S(=O)([O-])C(F)(F)F
• 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: 9.1811 ± 0.0008 Å
• b: 12.1939 ± 0.001 Å
• c: 16.6464 ± 0.0014 Å
• α: 87.574 ± 0.004°
• β: 77.784 ± 0.003°
• γ: 86.681 ± 0.003°
• Cell volume: 1817.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0489
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No