Information card for entry 7714307

Structure parameters

• Formula: C38 H30 F6 Ir N6 P S2
• Calculated formula: C38 H30 F6 Ir N6 P S2
• Title of publication: 2-(Thienyl)quinoxaline derivatives and their application in Ir(III) complexes yielding tuneable deep red emitters.
• Authors of publication: Fitzgerald, Sophie A.; Payce, Ellie N.; Horton, Peter N.; Coles, Simon J.; Pope, Simon J. A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 11.7348 ± 0.0005 Å
• b: 12.2893 ± 0.0004 Å
• c: 13.6241 ± 0.0004 Å
• α: 84.601 ± 0.003°
• β: 75.93 ± 0.003°
• γ: 70.807 ± 0.003°
• Cell volume: 1799.67 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0674
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No