Information card for entry 7720100

Structure parameters

• Formula: C32 H25 Cl2 F4 Ir N6
• Calculated formula: C32 H25 Cl2 F4 Ir N6
• Title of publication: Synthesis and photoluminescence of iridium(III) arylacetylide complexes with acetylide-localized emissive excited states.
• Authors of publication: Phan, Son N. T.; Schober, João V; Wu, Judy I.; Teets, Thomas S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 2499 - 2508
• a: 10.9423 ± 0.0013 Å
• b: 11.8086 ± 0.0014 Å
• c: 13.047 ± 0.0016 Å
• α: 111.781 ± 0.001°
• β: 90.373 ± 0.001°
• γ: 97.365 ± 0.001°
• Cell volume: 1549.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0144
• Residual factor for significantly intense reflections: 0.0136
• Weighted residual factors for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections included in the refinement: 0.0338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No