Information card for entry 1576207

Structure parameters

• Formula: C41.25 H51.75 F0.75 N O2 P
• Calculated formula: C41.25 H51.75 F0.75 N O2 P
• Title of publication: Photochemical Activation of Pincer-Ligated Phosphoranides: Mechanistic Insight for Reduction of Aryl Halides
• Authors of publication: Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 10.5896 ± 0.0004 Å
• b: 15.6048 ± 0.0005 Å
• c: 22.7972 ± 0.0007 Å
• α: 90°
• β: 90.184 ± 0.002°
• γ: 90°
• Cell volume: 3767.2 ± 0.2 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No