Information card for entry 7134587

Structure parameters

• Formula: C42 H26 F16 Ir N3 P2
• Calculated formula: C42 H26 F16 Ir N3 P2
• Title of publication: Cyclometallated phosphonium ylide-based iridium(iii) photocatalysts
• Authors of publication: Fayafrou, Oussama; Zanzi, Juliette; Duhayon, Carine; Sortais, Jean-Baptiste; Baslé, Olivier; Canac, Yves
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 54
• Pages of publication: 9932 - 9935
• a: 13.2187 ± 0.0002 Å
• b: 15.435 ± 0.0002 Å
• c: 20.4572 ± 0.0003 Å
• α: 90°
• β: 108.506 ± 0.002°
• γ: 90°
• Cell volume: 3958.07 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0303
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for all reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9924
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No