Information card for entry 7721182

Structure parameters

• Formula: C23 H27 F6 Ir N3 O3 P
• Calculated formula: C23 H27 F6 Ir N3 O3 P
• Title of publication: Pyridinium amidate (PYA) substituents impact ligand-centered hydride formation and (catalytic) hydride transfer reactivity
• Authors of publication: Monte, Laura; Lentz, Nicolas; Albrecht, Martin
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 20.0863 ± 0.0002 Å
• b: 7.4416 ± 0.0001 Å
• c: 34.1259 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5100.94 ± 0.1 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No