Information card for entry 1576960

Structure parameters

• Formula: C32 H34 Cl4 F10 Ir N4 P
• Calculated formula: C32 H34 Cl4 F10 Ir N4 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: 13.2853 ± 0.0005 Å
• b: 22.0638 ± 0.0007 Å
• c: 13.3648 ± 0.0004 Å
• α: 90°
• β: 98.195 ± 0.001°
• γ: 90°
• Cell volume: 3877.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No