Information card for entry 7134586

Structure parameters

• Formula: C44 H42 F6 Ir N3 O P2
• Calculated formula: C44 H42 F6 Ir N3 O 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: 10.7418 ± 0.0002 Å
• b: 13.3809 ± 0.0002 Å
• c: 15.7147 ± 0.0002 Å
• α: 103.603 ± 0.001°
• β: 109.915 ± 0.002°
• γ: 91.657 ± 0.002°
• Cell volume: 2049.36 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0104
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No