Information card for entry 4133613

Structure parameters

• Formula: C36 H35 B Cl F4 Fe O P3 Pt
• Calculated formula: C36 H35 B Cl F4 Fe O P3 Pt
• SMILES: Cl[Pt]1([P](O)(C)C)[P]([c]23[Fe]456789%10([c]%11([cH]4[cH]5[cH]6[cH]7%11)[P]1(c1ccccc1)c1ccccc1)[cH]2[cH]8[cH]9[cH]3%10)(c1ccccc1)c1ccccc1.[B](F)(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: 10.6888 ± 0.0012 Å
• b: 11.6609 ± 0.0014 Å
• c: 14.5386 ± 0.0017 Å
• α: 93.888 ± 0.004°
• β: 102.803 ± 0.004°
• γ: 97.548 ± 0.004°
• Cell volume: 1742.9 ± 0.4 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: 0.0285
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No