Information card for entry 1576964

Structure parameters

• Formula: C35 H30 F4 Ir N5 O
• Calculated formula: C35 H30 F4 Ir N5 O
• Title of publication: On-complex three-component cascade reactions involving phosphorescent cyclometalated Ir(iii) chloro-isocyanide complexes, nitriles, and propylamine
• Authors of publication: Phan, Son N. T.; Dang, Vinh Q.; Teets, Thomas S.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 9.4811 ± 0.0005 Å
• b: 14.0699 ± 0.0007 Å
• c: 25.9038 ± 0.0014 Å
• α: 90°
• β: 95.901 ± 0.001°
• γ: 90°
• Cell volume: 3437.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0396
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No