Information card for entry 7714308

Structure parameters

• Formula: C35.33 H20 Cl4 F6 Ir N6.67 P S2
• Calculated formula: C34 H18 Cl4 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: 14.0214 ± 0.0004 Å
• b: 20.399 ± 0.0008 Å
• c: 20.6263 ± 0.0004 Å
• α: 74.988 ± 0.002°
• β: 78.654 ± 0.002°
• γ: 87.905 ± 0.003°
• Cell volume: 5586.2 ± 0.3 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1969
• Residual factor for significantly intense reflections: 0.1339
• Weighted residual factors for significantly intense reflections: 0.3724
• Weighted residual factors for all reflections included in the refinement: 0.4106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No