Information card for entry 1576965

Structure parameters

• Formula: C40 H41 F10 Ir N5 P
• Calculated formula: C40 H41 F10 Ir N5 P
• 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: 10.8929 ± 0.0008 Å
• b: 31.96 ± 0.002 Å
• c: 12.6053 ± 0.0009 Å
• α: 90°
• β: 115.058 ± 0.001°
• γ: 90°
• Cell volume: 3975.3 ± 0.5 ų
• Cell temperature: 150.01 K
• Ambient diffraction temperature: 150.01 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: 0.0341
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No